Jamie1701/spliced_dataset_split · Datasets at Hugging Face

pretty_formula stringlengths 4 14	CIF stringlengths 825 3.16k	matches_count_scaled float64 0 1	Database stringclasses 1 value	Reduced Formula stringclasses 1 value	split stringclasses 3 values	source stringclasses 2 values	space_group stringclasses 15 values	Material ID int64 0 6.01k	contains_Boron bool 2 classes	__index_level_0__ int64 0 6.18k
Mn2 Cr4 In2 C4	data_[Mn2Cr4In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9837] _cell_length_b [2...	0.177981	N/A	N/A	validation	original data	P6_3/mmc	5,497	false	5,520
Ta4 Si2 C2	data_[Ta4Si2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2196] _cell_length_b [3.2196] _cell_length_c [12.3533] ...	0.217486	N/A	N/A	test	original data	P6_3/mmc	5,898	false	6,168
Ti8 C6 S2	data_[Ti8C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1398] _cell_length_b [3.1398] _cell_length_c [21.2177] _c...	0.205516	N/A	N/A	train	original data	P6_3/mmc	3,522	false	2,815
As2 W8 C6	data_[As2W8C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1527] _cell_length_b [3.1527] _cell_length_c [22.5207] _c...	0.203341	N/A	N/A	train	original data	P6_3/mmc	4,358	false	3,488
Nb2 In2 W4 C4	data_[Nb2In2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1009] _cell_length_b [3.1...	0.792398	N/A	N/A	train	original data	P6_3/mmc	5,833	false	4,667
Zr4 Mn4 Si2 N6	data_[Zr4Mn4Si2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0715] _cell_length_b [3...	0.306764	N/A	N/A	train	original data	P6_3/mmc	976	false	780
Sc2 Ta2 As2 C2	data_[Sc2Ta2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3333] _cell_length_b [3.3...	0.792398	N/A	N/A	test	original data	P6_3mc	5,402	false	6,117
Hf2 Al2 Cr2 N2	data_[Hf2Al2Cr2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0326] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3mc	291	false	229
V4 Sn2 Mo4 N6	data_[V4Sn2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9949] _cell_length_b [2.9...	1	N/A	N/A	train	original data	P6_3/mmc	1,005	false	804
Zr2 Tl2 W2 C2	data_[Zr2Tl2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2492] _cell_length_b [3.249...	0.797166	N/A	N/A	train	original data	P6_3mc	3,507	false	2,805
Mn8 Ga2 C6	data_[Mn8Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9250] _cell_length_b [2.9250] _cell_length_c [20.6589] ...	0.000001	N/A	N/A	train	original data	P6_3/mmc	5,557	false	4,454
Zr2 Sc4 Ge2 C4	data_[Zr2Sc4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3100] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	4,136	false	3,307
Hf2 Cr2 As2 N2	data_[Hf2Cr2As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3114] _cell_length_b [3.3...	1	N/A	N/A	test	original data	P6_3mc	2,274	false	5,815
Sc4 Ti2 As2 C4	data_[Sc4Ti2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2261] _cell_length_b [3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	3,546	false	2,835
Ta4 Mn2 Si2 N4	data_[Ta4Mn2Si2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9866] _cell_length_b [2...	0.270125	N/A	N/A	train	original data	P6_3/mmc	295	false	232
Hf2 Mo4 S2 N4	data_[Hf2Mo4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1568] _cell_length_b [3.1...	1	N/A	N/A	test	original data	P6_3/mmc	2,885	false	5,879
Mn2 Cr4 Sn2 C4	data_[Mn2Cr4Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0266] _cell_length_b [3...	0.175224	N/A	N/A	train	original data	P6_3/mmc	3,799	false	3,040
Rb4Be16B12O36	data_[Rb4Be16B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.5303] _cell_length_b [13.3...	0.465223	N/A	null	validation	synthetic, MP or NOMAD	Pnma	205	true	5,591
Zr4 V2 Pb2 C4	data_[Zr4V2Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2768] _cell_length_b [3.2...	0.792398	N/A	N/A	train	original data	P6_3/mmc	3,674	false	2,942
B14Re2Y6	data_[Y12Re4B28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Re 1.9000 1.3500 0.7125 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.5456] _cell_length_b [15.8030] _cell_length_c [9.3556] _cel...	0.441976	N/A	null	train	synthetic, MP or NOMAD	Cmcm	208	true	4,923
Ti4 Ga2 Mo4 N6	data_[Ti4Ga2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9669] _cell_length_b [2...	1	N/A	N/A	train	original data	P6_3/mmc	393	false	314
Ta4 P2 C2	data_[Ta4P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2940] _cell_length_b [3.2940] _cell_length_c [11.5492] _c...	0.206061	N/A	N/A	train	original data	P6_3/mmc	5,780	false	4,629
Zr6 P2 C4	data_[Zr6P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.4175] _cell_length_b [3.4175] _cell_length_c [17.6329] _c...	0.20606	N/A	N/A	train	original data	P6_3/mmc	4,883	false	3,908
Hf4 Cd2 W2 N4	data_[Hf4Cd2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2031] _cell_length_b [3.2...	1	N/A	N/A	validation	original data	P6_3/mmc	3,392	false	5,306
Ti6 Si2 N4	data_[Ti6Si2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9797] _cell_length_b [2.9797] _cell_length_c [17.8301] ...	0.236842	N/A	N/A	train	original data	P6_3/mmc	2,873	false	2,294
Ta4 Ti2 P2 C4	data_[Ta4Ti2P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2156] _cell_length_b [3.2...	0.795099	N/A	N/A	test	original data	P6_3/mmc	4,602	false	6,030
V6 Cd2 N4	data_[V6Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9143] _cell_length_b [2.9143] _cell_length_c [18.8211] _c...	0.26874	N/A	N/A	train	original data	P6_3/mmc	1,702	false	1,349
Zr4 Mn4 Ga2 C6	data_[Zr4Mn4Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1625] _cell_length_b [3...	0.201812	N/A	N/A	train	original data	P6_3/mmc	1,143	false	906
Sc2 Ta4 Tl2 C4	data_[Sc2Ta4Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2319] _cell_length_b [3...	0.793906	N/A	N/A	train	original data	P6_3/mmc	4,209	false	3,369
Ti4 Ga2 Mo2 C4	data_[Ti4Ga2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0898] _cell_length_b [3...	0.797413	N/A	N/A	train	original data	P6_3/mmc	2,177	false	1,735
Zr4 Mn4 P2 C6	data_[Zr4Mn4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2421] _cell_length_b [3.2...	0.236842	N/A	N/A	train	original data	P6_3/mmc	1,769	false	1,406
Ti4 Ga2 N2	data_[Ti4Ga2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0084] _cell_length_b [3.0084] _cell_length_c [13.3358] ...	0.29289	N/A	N/A	train	original data	P6_3/mmc	4,746	false	3,803
Ti4 Cr2 P2 C4	data_[Ti4Cr2P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0947] _cell_length_b [3.0...	0.755117	N/A	N/A	train	original data	P6_3/mmc	2,890	false	2,307
V2 Cr2 P2 C2	data_[V2Cr2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0217] _cell_length_b [3.0217]...	0.756687	N/A	N/A	test	original data	P6_3mc	1,815	false	5,775
Sc4 Nb4 Sn2 N6	data_[Sc4Nb4Sn2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1275] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	4,387	false	3,514
Nb4 V4 C6 S2	data_[Nb4V4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1313] _cell_length_b [3.131...	0.798068	N/A	N/A	train	original data	P6_3/mmc	4,666	false	3,738
Sc4 Cr4 P2 N6	data_[Sc4Cr4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0765] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3/mmc	2,586	false	2,061
Mn2 Mo4 P2 N4	data_[Mn2Mo4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9640] _cell_length_b [2.9...	0.236842	N/A	N/A	train	original data	P6_3/mmc	2,246	false	1,787
Ta4 Cr2 Pb2 N4	data_[Ta4Cr2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0956] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	5,300	false	4,246
Cr4 Mo4 C6 S2	data_[Cr4Mo4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9845] _cell_length_b [2.9...	0.768056	N/A	N/A	validation	original data	P6_3/mmc	1,148	false	5,079
Ta4 V4 P2 C6	data_[Ta4V4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1036] _cell_length_b [3.103...	0.795513	N/A	N/A	train	original data	P6_3/mmc	1,621	false	1,289
Sc2 Cd2 Mo2 N2	data_[Sc2Cd2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0947] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3mc	2,370	false	1,892
Ti2 Mn4 As2 N4	data_[Ti2Mn4As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9905] _cell_length_b [2...	0.278114	N/A	N/A	train	original data	P6_3/mmc	5,660	false	4,534
Cr4 Ge2 Mo2 N4	data_[Cr4Ge2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0443] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	3,290	false	2,634
Ge2 Mo2 W4 N4	data_[Ge2Mo2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8534] _cell_length_b [2.8...	1	N/A	N/A	train	original data	P6_3/mmc	2,117	false	1,690
Zr6 Ge2 N4	data_[Zr6Ge2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2393] _cell_length_b [3.2393] _cell_length_c [19.3092] ...	0.270866	N/A	N/A	train	original data	P6_3/mmc	5,725	false	4,587
Mn4 Nb2 Sn2 N4	data_[Mn4Nb2Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1661] _cell_length_b [3...	0.307412	N/A	N/A	validation	original data	P6_3/mmc	631	false	5,026
Ti4 Ge2 W2 C4	data_[Ti4Ge2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1097] _cell_length_b [3.1...	0.798068	N/A	N/A	test	original data	P6_3/mmc	3,731	false	5,952
Hf4 Nb4 Al2 N6	data_[Hf4Nb4Al2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1188] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	831	false	657
Ta2 P2 W4 N4	data_[Ta2P2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0826] _cell_length_b [3.082...	0.991085	N/A	N/A	test	original data	P6_3/mmc	3,696	false	5,945
Sc2 Ta4 C4 S2	data_[Sc2Ta4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2515] _cell_length_b [3.2...	0.792398	N/A	N/A	train	original data	P6_3/mmc	3,909	false	3,123
Zr4 Cr4 P2 C6	data_[Zr4Cr4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2398] _cell_length_b [3.2...	0.755117	N/A	N/A	train	original data	P6_3/mmc	5,519	false	4,422
Zr4 Nb2 Si2 C4	data_[Zr4Nb2Si2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2693] _cell_length_b [3...	0.796886	N/A	N/A	test	original data	P6_3/mmc	5,210	false	6,095
Zr2 Ti2 Sn2 N2	data_[Zr2Ti2Sn2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2180] _cell_length_b [3.2...	1	N/A	N/A	test	original data	P6_3mc	1,519	false	5,747
Sc2 In2 W4 C4	data_[Sc2In2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0802] _cell_length_b [3.0...	0.792398	N/A	N/A	train	original data	P6_3/mmc	1,922	false	1,530
Ti4 As2 W4 N6	data_[Ti4As2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0061] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3/mmc	170	false	136
Ti2 As2 W4 N4	data_[Ti2As2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0475] _cell_length_b [3.0...	1	N/A	N/A	train	original data	P6_3/mmc	4,740	false	3,798
Ta2 Nb2 Cd2 N2	data_[Ta2Nb2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1471] _cell_length_b [3.1...	0.989452	N/A	N/A	train	original data	P6_3mc	1,493	false	1,183
V4 Cr4 In2 C6	data_[V4Cr4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9441] _cell_length_b [2.9...	0.755117	N/A	N/A	train	original data	P6_3/mmc	1,308	false	1,039
Ta2 Cr2 Ga2 C2	data_[Ta2Cr2Ga2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0459] _cell_length_b [3.0...	0.763113	N/A	N/A	train	original data	P6_3mc	1,628	false	1,295
Zr4 Mo4 S2 N6	data_[Zr4Mo4S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2446] _cell_length_b [3.2...	1	N/A	N/A	validation	original data	P6_3/mmc	1,102	false	5,070
Nb4 P2 W4 C6	data_[Nb4P2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1862] _cell_length_b [3.186...	0.796901	N/A	N/A	train	original data	P6_3/mmc	361	false	291
Mn2 Mo4 S2 N4	data_[Mn2Mo4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9906] _cell_length_b [2.9...	0.293082	N/A	N/A	train	original data	P6_3/mmc	4,824	false	3,860
Ta4Ni4B8	data_[Ta4Ni4B8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.9975] _cell_length_b [3.1077] _cell_length_c [8.1380] _cell...	0.558573	N/A	null	train	synthetic, MP or NOMAD	Pnma	179	true	4,913
Ta4 Cr4 Ga2 C6	data_[Ta4Cr4Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0699] _cell_length_b [3...	0.760449	N/A	N/A	test	original data	P6_3/mmc	1,419	false	5,737
Hf2 Cr4 Ge2 C4	data_[Hf2Cr4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0886] _cell_length_b [3...	0.767353	N/A	N/A	train	original data	P6_3/mmc	3,768	false	3,016
Ti4 Cr2 Cd2 C4	data_[Ti4Cr2Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0470] _cell_length_b [3...	0.755117	N/A	N/A	test	original data	P6_3/mmc	947	false	5,688
Sc2 Ta4 Pb2 N4	data_[Sc2Ta4Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1133] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	4,333	false	3,468
Zr2 Cr4 Ge2 C4	data_[Zr2Cr4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1078] _cell_length_b [3...	0.759929	N/A	N/A	train	original data	P6_3/mmc	4,813	false	3,853
Hf4 Al2 Cr4 N6	data_[Hf4Al2Cr4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1055] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	3,124	false	2,499
Al2 Cr2 W2 N2	data_[Al2Cr2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.8991] _cell_length_b [2.899...	1	N/A	N/A	train	original data	P6_3mc	4,133	false	3,304
Hf2 Sc4 As2 C4	data_[Hf2Sc4As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3176] _cell_length_b [3...	0.795538	N/A	N/A	train	original data	P6_3/mmc	5,906	false	4,727
Sc4 Ta4 C6 S2	data_[Sc4Ta4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2671] _cell_length_b [3.2...	0.796168	N/A	N/A	train	original data	P6_3/mmc	2,028	false	1,619
Sc4 Cr2 In2 C4	data_[Sc4Cr2In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1390] _cell_length_b [3...	0.755117	N/A	N/A	train	original data	P6_3/mmc	3,890	false	3,109
Ta4 Ti2 Al2 N4	data_[Ta4Ti2Al2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0072] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	5,608	false	4,492
Mn2 Nb4 Pb2 N4	data_[Mn2Nb4Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1135] _cell_length_b [3...	0.285376	N/A	N/A	train	original data	P6_3/mmc	3,869	false	3,094
Ta4 Ti4 As2 N6	data_[Ta4Ti4As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1596] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	964	false	769
Sc2 W4 S2 N4	data_[Sc2W4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0563] _cell_length_b [3.056...	1	N/A	N/A	train	original data	P6_3/mmc	4,415	false	3,538
Mn4 Cr2 Sn2 N4	data_[Mn4Cr2Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0018] _cell_length_b [3...	0.236842	N/A	N/A	train	original data	P6_3/mmc	1,331	false	1,057
Mg6B6Ir6	data_[Mg6B6Ir6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 B 2.0400 0.8500 0.4100 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P6_222] _cell_length_a [5.2760] _cell_length_b [5.2760] _cell_length_c [9.4453] _ce...	0.58916	N/A	null	validation	synthetic, MP or NOMAD	P6_222	52	true	5,579
Zr4 Ti2 Pb2 N4	data_[Zr4Ti2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1773] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	4,176	false	3,340
Zr2 V4 Ge2 C4	data_[Zr2V4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1308] _cell_length_b [3.1...	0.792398	N/A	N/A	train	original data	P6_3/mmc	2,565	false	2,045
Cd2 Mo4 C2	data_[Cd2Mo4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0766] _cell_length_b [3.0766] _cell_length_c [14.3318] ...	0.19983	N/A	N/A	test	original data	P6_3/mmc	2,122	false	5,803
Ta4 Nb4 Cd2 N6	data_[Ta4Nb4Cd2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1043] _cell_length_b [3...	0.991698	N/A	N/A	test	original data	P6_3/mmc	508	false	5,649
Nb4 V2 Pb2 C4	data_[Nb4V2Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1637] _cell_length_b [3.1...	0.794278	N/A	N/A	train	original data	P6_3/mmc	544	false	420
Nb2 Cr2 As2 N2	data_[Nb2Cr2As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1339] _cell_length_b [3.1...	1	N/A	N/A	validation	original data	P6_3mc	378	false	4,998
Ti4 Cr4 Ga2 N6	data_[Ti4Cr4Ga2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9513] _cell_length_b [2...	1	N/A	N/A	test	original data	P6_3/mmc	1,521	false	5,748
Hf2 Mn2 As2 N2	data_[Hf2Mn2As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3110] _cell_length_b [3.3...	0.236842	N/A	N/A	test	original data	P6_3mc	615	false	5,661
Ta4 Tl2 V4 C6	data_[Ta4Tl2V4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1021] _cell_length_b [3.1...	0.798068	N/A	N/A	train	original data	P6_3/mmc	2,488	false	1,986
Ta4 Mn2 Cd2 C4	data_[Ta4Mn2Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1434] _cell_length_b [3...	0.203594	N/A	N/A	train	original data	P6_3/mmc	4,609	false	3,697
V4In2C2	data_[V8In4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.0693] _cell_length_b [5.3233] _cell_length_c [13.8265] _cell_...	0.690001	N/A	null	train	synthetic, MP or NOMAD	P6_3/mmc	105	false	4,869
Zr4 W2 S2 N4	data_[Zr4W2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2612] _cell_length_b [3.261...	1	N/A	N/A	train	original data	P6_3/mmc	2,061	false	1,647
Mn6 Al2 N4	data_[Mn6Al2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.7093] _cell_length_b [2.7093] _cell_length_c [17.9726] ...	0.000001	N/A	N/A	train	original data	P6_3/mmc	4,287	false	3,435
Hf2 Ta2 P2 C2	data_[Hf2Ta2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3308] _cell_length_b [3.330...	0.794489	N/A	N/A	test	original data	P6_3mc	810	false	5,678
Zr4 Ta2 As2 N4	data_[Zr4Ta2As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2943] _cell_length_b [3...	1	N/A	N/A	train	original data	P6_3/mmc	730	false	579
Zr4 Mo2 C4 S2	data_[Zr4Mo2C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3603] _cell_length_b [3.3...	0.798068	N/A	N/A	train	original data	P6_3/mmc	2,680	false	2,141
Mn2 Nb4 Al2 C4	data_[Mn2Nb4Al2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0800] _cell_length_b [3...	0.211026	N/A	N/A	train	original data	P6_3/mmc	4,240	false	3,396
Al2 Cr4 W4 C6	data_[Al2Cr4W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0339] _cell_length_b [3.0...	0.760681	N/A	N/A	validation	original data	P6_3/mmc	731	false	5,034
Ta2 Nb2 C2 S2	data_[Ta2Nb2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2961] _cell_length_b [3.296...	0.795371	N/A	N/A	train	original data	P6_3mc	774	false	613
Hf4 Mo4 P2 N6	data_[Hf4Mo4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3231] _cell_length_b [3.3...	1	N/A	N/A	train	original data	P6_3/mmc	1,866	false	1,483

Mn2 Cr4 In2 C4

data_[Mn2Cr4In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9837] _cell_length_b [2...

0.177981

N/A

validation

original data

P6_3/mmc

5,497

false

5,520

Ta4 Si2 C2

data_[Ta4Si2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2196] _cell_length_b [3.2196] _cell_length_c [12.3533] ...

0.217486

N/A

test

original data

P6_3/mmc

5,898

false

6,168

Ti8 C6 S2

data_[Ti8C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1398] _cell_length_b [3.1398] _cell_length_c [21.2177] _c...

0.205516

N/A

train

original data

P6_3/mmc

3,522

false

2,815

As2 W8 C6

data_[As2W8C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1527] _cell_length_b [3.1527] _cell_length_c [22.5207] _c...

0.203341

N/A

train

original data

P6_3/mmc

4,358

false

3,488

Nb2 In2 W4 C4

data_[Nb2In2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1009] _cell_length_b [3.1...

0.792398

N/A

train

original data

P6_3/mmc

5,833

false

4,667

Zr4 Mn4 Si2 N6

data_[Zr4Mn4Si2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0715] _cell_length_b [3...

0.306764

N/A

train

original data

P6_3/mmc

976

false

780

Sc2 Ta2 As2 C2

data_[Sc2Ta2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3333] _cell_length_b [3.3...

0.792398

N/A

test

original data

P6_3mc

5,402

false

6,117

Hf2 Al2 Cr2 N2

data_[Hf2Al2Cr2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0326] _cell_length_b [3.0...

1

N/A

train

original data

P6_3mc

291

false

229

V4 Sn2 Mo4 N6

data_[V4Sn2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9949] _cell_length_b [2.9...

1

N/A

train

original data

P6_3/mmc

1,005

false

804

Zr2 Tl2 W2 C2

data_[Zr2Tl2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2492] _cell_length_b [3.249...

0.797166

N/A

train

original data

P6_3mc

3,507

false

2,805

Mn8 Ga2 C6

data_[Mn8Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9250] _cell_length_b [2.9250] _cell_length_c [20.6589] ...

0.000001

N/A

train

original data

P6_3/mmc

5,557

false

4,454

Zr2 Sc4 Ge2 C4

data_[Zr2Sc4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3100] _cell_length_b [3...

0.798068

N/A

train

original data

P6_3/mmc

4,136

false

3,307

Hf2 Cr2 As2 N2

data_[Hf2Cr2As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3114] _cell_length_b [3.3...

1

N/A

test

original data

P6_3mc

2,274

false

5,815

Sc4 Ti2 As2 C4

data_[Sc4Ti2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2261] _cell_length_b [3...

0.798068

N/A

train

original data

P6_3/mmc

3,546

false

2,835

Ta4 Mn2 Si2 N4

data_[Ta4Mn2Si2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9866] _cell_length_b [2...

0.270125

N/A

train

original data

P6_3/mmc

295

false

232

Hf2 Mo4 S2 N4

data_[Hf2Mo4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1568] _cell_length_b [3.1...

1

N/A

test

original data

P6_3/mmc

2,885

false

5,879

Mn2 Cr4 Sn2 C4

data_[Mn2Cr4Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0266] _cell_length_b [3...

0.175224

N/A

train

original data

P6_3/mmc

3,799

false

3,040

Rb4Be16B12O36

data_[Rb4Be16B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.5303] _cell_length_b [13.3...

0.465223

N/A

null

validation

synthetic, MP or NOMAD

Pnma

205

true

5,591

Zr4 V2 Pb2 C4

data_[Zr4V2Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2768] _cell_length_b [3.2...

0.792398

N/A

train

original data

P6_3/mmc

3,674

false

2,942

B14Re2Y6

data_[Y12Re4B28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Re 1.9000 1.3500 0.7125 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.5456] _cell_length_b [15.8030] _cell_length_c [9.3556] _cel...

0.441976

N/A

null

train

synthetic, MP or NOMAD

Cmcm

208

true

4,923

Ti4 Ga2 Mo4 N6

data_[Ti4Ga2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9669] _cell_length_b [2...

1

N/A

train

original data

P6_3/mmc

393

false

314

Ta4 P2 C2

data_[Ta4P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2940] _cell_length_b [3.2940] _cell_length_c [11.5492] _c...

0.206061

N/A

train

original data

P6_3/mmc

5,780

false

4,629

Zr6 P2 C4

data_[Zr6P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.4175] _cell_length_b [3.4175] _cell_length_c [17.6329] _c...

0.20606

N/A

train

original data

P6_3/mmc

4,883

false

3,908

Hf4 Cd2 W2 N4

data_[Hf4Cd2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2031] _cell_length_b [3.2...

1

N/A

validation

original data

P6_3/mmc

3,392

false

5,306

Ti6 Si2 N4

data_[Ti6Si2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9797] _cell_length_b [2.9797] _cell_length_c [17.8301] ...

0.236842

N/A

train

original data

P6_3/mmc

2,873

false

2,294

Ta4 Ti2 P2 C4

data_[Ta4Ti2P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2156] _cell_length_b [3.2...

0.795099

N/A

test

original data

P6_3/mmc

4,602

false

6,030

V6 Cd2 N4

data_[V6Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9143] _cell_length_b [2.9143] _cell_length_c [18.8211] _c...

0.26874

N/A

train

original data

P6_3/mmc

1,702

false

1,349

Zr4 Mn4 Ga2 C6

data_[Zr4Mn4Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1625] _cell_length_b [3...

0.201812

N/A

train

original data

P6_3/mmc

1,143

false

906

Sc2 Ta4 Tl2 C4

data_[Sc2Ta4Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2319] _cell_length_b [3...

0.793906

N/A

train

original data

P6_3/mmc

4,209

false

3,369

Ti4 Ga2 Mo2 C4

data_[Ti4Ga2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0898] _cell_length_b [3...

0.797413

N/A

train

original data

P6_3/mmc

2,177

false

1,735

Zr4 Mn4 P2 C6

data_[Zr4Mn4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2421] _cell_length_b [3.2...

0.236842

N/A

train

original data

P6_3/mmc

1,769

false

1,406

Ti4 Ga2 N2

data_[Ti4Ga2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0084] _cell_length_b [3.0084] _cell_length_c [13.3358] ...

0.29289

N/A

train

original data

P6_3/mmc

4,746

false

3,803

Ti4 Cr2 P2 C4

data_[Ti4Cr2P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0947] _cell_length_b [3.0...

0.755117

N/A

train

original data

P6_3/mmc

2,890

false

2,307

V2 Cr2 P2 C2

data_[V2Cr2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0217] _cell_length_b [3.0217]...

0.756687

N/A

test

original data

P6_3mc

1,815

false

5,775

Sc4 Nb4 Sn2 N6

data_[Sc4Nb4Sn2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1275] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

4,387

false

3,514

Nb4 V4 C6 S2

data_[Nb4V4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1313] _cell_length_b [3.131...

0.798068

N/A

train

original data

P6_3/mmc

4,666

false

3,738

Sc4 Cr4 P2 N6

data_[Sc4Cr4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0765] _cell_length_b [3.0...

1

N/A

train

original data

P6_3/mmc

2,586

false

2,061

Mn2 Mo4 P2 N4

data_[Mn2Mo4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9640] _cell_length_b [2.9...

0.236842

N/A

train

original data

P6_3/mmc

2,246

false

1,787

Ta4 Cr2 Pb2 N4

data_[Ta4Cr2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0956] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

5,300

false

4,246

Cr4 Mo4 C6 S2

data_[Cr4Mo4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9845] _cell_length_b [2.9...

0.768056

N/A

validation

original data

P6_3/mmc

1,148

false

5,079

Ta4 V4 P2 C6

data_[Ta4V4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1036] _cell_length_b [3.103...

0.795513

N/A

train

original data

P6_3/mmc

1,621

false

1,289

Sc2 Cd2 Mo2 N2

data_[Sc2Cd2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0947] _cell_length_b [3.0...

1

N/A

train

original data

P6_3mc

2,370

false

1,892

Ti2 Mn4 As2 N4

data_[Ti2Mn4As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9905] _cell_length_b [2...

0.278114

N/A

train

original data

P6_3/mmc

5,660

false

4,534

Cr4 Ge2 Mo2 N4

data_[Cr4Ge2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0443] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

3,290

false

2,634

Ge2 Mo2 W4 N4

data_[Ge2Mo2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8534] _cell_length_b [2.8...

1

N/A

train

original data

P6_3/mmc

2,117

false

1,690

Zr6 Ge2 N4

data_[Zr6Ge2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2393] _cell_length_b [3.2393] _cell_length_c [19.3092] ...

0.270866

N/A

train

original data

P6_3/mmc

5,725

false

4,587

Mn4 Nb2 Sn2 N4

data_[Mn4Nb2Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1661] _cell_length_b [3...

0.307412

N/A

validation

original data

P6_3/mmc

631

false

5,026

Ti4 Ge2 W2 C4

data_[Ti4Ge2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1097] _cell_length_b [3.1...

0.798068

N/A

test

original data

P6_3/mmc

3,731

false

5,952

Hf4 Nb4 Al2 N6

data_[Hf4Nb4Al2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1188] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

831

false

657

Ta2 P2 W4 N4

data_[Ta2P2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0826] _cell_length_b [3.082...

0.991085

N/A

test

original data

P6_3/mmc

3,696

false

5,945

Sc2 Ta4 C4 S2

data_[Sc2Ta4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2515] _cell_length_b [3.2...

0.792398

N/A

train

original data

P6_3/mmc

3,909

false

3,123

Zr4 Cr4 P2 C6

data_[Zr4Cr4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2398] _cell_length_b [3.2...

0.755117

N/A

train

original data

P6_3/mmc

5,519

false

4,422

Zr4 Nb2 Si2 C4

data_[Zr4Nb2Si2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2693] _cell_length_b [3...

0.796886

N/A

test

original data

P6_3/mmc

5,210

false

6,095

Zr2 Ti2 Sn2 N2

data_[Zr2Ti2Sn2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2180] _cell_length_b [3.2...

1

N/A

test

original data

P6_3mc

1,519

false

5,747

Sc2 In2 W4 C4

data_[Sc2In2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0802] _cell_length_b [3.0...

0.792398

N/A

train

original data

P6_3/mmc

1,922

false

1,530

Ti4 As2 W4 N6

data_[Ti4As2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0061] _cell_length_b [3.0...

1

N/A

train

original data

P6_3/mmc

170

false

136

Ti2 As2 W4 N4

data_[Ti2As2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0475] _cell_length_b [3.0...

1

N/A

train

original data

P6_3/mmc

4,740

false

3,798

Ta2 Nb2 Cd2 N2

data_[Ta2Nb2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1471] _cell_length_b [3.1...

0.989452

N/A

train

original data

P6_3mc

1,493

false

1,183

V4 Cr4 In2 C6

data_[V4Cr4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9441] _cell_length_b [2.9...

0.755117

N/A

train

original data

P6_3/mmc

1,308

false

1,039

Ta2 Cr2 Ga2 C2

data_[Ta2Cr2Ga2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0459] _cell_length_b [3.0...

0.763113

N/A

train

original data

P6_3mc

1,628

false

1,295

Zr4 Mo4 S2 N6

data_[Zr4Mo4S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2446] _cell_length_b [3.2...

1

N/A

validation

original data

P6_3/mmc

1,102

false

5,070

Nb4 P2 W4 C6

data_[Nb4P2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1862] _cell_length_b [3.186...

0.796901

N/A

train

original data

P6_3/mmc

361

false

291

Mn2 Mo4 S2 N4

data_[Mn2Mo4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9906] _cell_length_b [2.9...

0.293082

N/A

train

original data

P6_3/mmc

4,824

false

3,860

Ta4Ni4B8

data_[Ta4Ni4B8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.9975] _cell_length_b [3.1077] _cell_length_c [8.1380] _cell...

0.558573

N/A

null

train

synthetic, MP or NOMAD

Pnma

179

true

4,913

Ta4 Cr4 Ga2 C6

data_[Ta4Cr4Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0699] _cell_length_b [3...

0.760449

N/A

test

original data

P6_3/mmc

1,419

false

5,737

Hf2 Cr4 Ge2 C4

data_[Hf2Cr4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0886] _cell_length_b [3...

0.767353

N/A

train

original data

P6_3/mmc

3,768

false

3,016

Ti4 Cr2 Cd2 C4

data_[Ti4Cr2Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0470] _cell_length_b [3...

0.755117

N/A

test

original data

P6_3/mmc

947

false

5,688

Sc2 Ta4 Pb2 N4

data_[Sc2Ta4Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1133] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

4,333

false

3,468

Zr2 Cr4 Ge2 C4

data_[Zr2Cr4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1078] _cell_length_b [3...

0.759929

N/A

train

original data

P6_3/mmc

4,813

false

3,853

Hf4 Al2 Cr4 N6

data_[Hf4Al2Cr4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1055] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

3,124

false

2,499

Al2 Cr2 W2 N2

data_[Al2Cr2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.8991] _cell_length_b [2.899...

1

N/A

train

original data

P6_3mc

4,133

false

3,304

Hf2 Sc4 As2 C4

data_[Hf2Sc4As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3176] _cell_length_b [3...

0.795538

N/A

train

original data

P6_3/mmc

5,906

false

4,727

Sc4 Ta4 C6 S2

data_[Sc4Ta4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2671] _cell_length_b [3.2...

0.796168

N/A

train

original data

P6_3/mmc

2,028

false

1,619

Sc4 Cr2 In2 C4

data_[Sc4Cr2In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1390] _cell_length_b [3...

0.755117

N/A

train

original data

P6_3/mmc

3,890

false

3,109

Ta4 Ti2 Al2 N4

data_[Ta4Ti2Al2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0072] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

5,608

false

4,492

Mn2 Nb4 Pb2 N4

data_[Mn2Nb4Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1135] _cell_length_b [3...

0.285376

N/A

train

original data

P6_3/mmc

3,869

false

3,094

Ta4 Ti4 As2 N6

data_[Ta4Ti4As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1596] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

964

false

769

Sc2 W4 S2 N4

data_[Sc2W4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0563] _cell_length_b [3.056...

1

N/A

train

original data

P6_3/mmc

4,415

false

3,538

Mn4 Cr2 Sn2 N4

data_[Mn4Cr2Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0018] _cell_length_b [3...

0.236842

N/A

train

original data

P6_3/mmc

1,331

false

1,057

Mg6B6Ir6

data_[Mg6B6Ir6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 B 2.0400 0.8500 0.4100 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P6_222] _cell_length_a [5.2760] _cell_length_b [5.2760] _cell_length_c [9.4453] _ce...

0.58916

N/A

null

validation

synthetic, MP or NOMAD

P6_222

52

true

5,579

Zr4 Ti2 Pb2 N4

data_[Zr4Ti2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1773] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

4,176

false

3,340

Zr2 V4 Ge2 C4

data_[Zr2V4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1308] _cell_length_b [3.1...

0.792398

N/A

train

original data

P6_3/mmc

2,565

false

2,045

Cd2 Mo4 C2

data_[Cd2Mo4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0766] _cell_length_b [3.0766] _cell_length_c [14.3318] ...

0.19983

N/A

test

original data

P6_3/mmc

2,122

false

5,803

Ta4 Nb4 Cd2 N6

data_[Ta4Nb4Cd2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1043] _cell_length_b [3...

0.991698

N/A

test

original data

P6_3/mmc

508

false

5,649

Nb4 V2 Pb2 C4

data_[Nb4V2Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1637] _cell_length_b [3.1...

0.794278

N/A

train

original data

P6_3/mmc

544

false

420

Nb2 Cr2 As2 N2

data_[Nb2Cr2As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1339] _cell_length_b [3.1...

1

N/A

validation

original data

P6_3mc

378

false

4,998

Ti4 Cr4 Ga2 N6

data_[Ti4Cr4Ga2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9513] _cell_length_b [2...

1

N/A

test

original data

P6_3/mmc

1,521

false

5,748

Hf2 Mn2 As2 N2

data_[Hf2Mn2As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3110] _cell_length_b [3.3...

0.236842

N/A

test

original data

P6_3mc

615

false

5,661

Ta4 Tl2 V4 C6

data_[Ta4Tl2V4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1021] _cell_length_b [3.1...

0.798068

N/A

train

original data

P6_3/mmc

2,488

false

1,986

Ta4 Mn2 Cd2 C4

data_[Ta4Mn2Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1434] _cell_length_b [3...

0.203594

N/A

train

original data

P6_3/mmc

4,609

false

3,697

V4In2C2

data_[V8In4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.0693] _cell_length_b [5.3233] _cell_length_c [13.8265] _cell_...

0.690001

N/A

null

train

synthetic, MP or NOMAD

P6_3/mmc

105

false

4,869

Zr4 W2 S2 N4

data_[Zr4W2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2612] _cell_length_b [3.261...

1

N/A

train

original data

P6_3/mmc

2,061

false

1,647

Mn6 Al2 N4

data_[Mn6Al2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.7093] _cell_length_b [2.7093] _cell_length_c [17.9726] ...

0.000001

N/A

train

original data

P6_3/mmc

4,287

false

3,435

Hf2 Ta2 P2 C2

data_[Hf2Ta2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3308] _cell_length_b [3.330...

0.794489

N/A

test

original data

P6_3mc

810

false

5,678

Zr4 Ta2 As2 N4

data_[Zr4Ta2As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2943] _cell_length_b [3...

1

N/A

train

original data

P6_3/mmc

730

false

579

Zr4 Mo2 C4 S2

data_[Zr4Mo2C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3603] _cell_length_b [3.3...

0.798068

N/A

train

original data

P6_3/mmc

2,680

false

2,141

Mn2 Nb4 Al2 C4

data_[Mn2Nb4Al2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0800] _cell_length_b [3...

0.211026

N/A

train

original data

P6_3/mmc

4,240

false

3,396

Al2 Cr4 W4 C6

data_[Al2Cr4W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0339] _cell_length_b [3.0...

0.760681

N/A

validation

original data

P6_3/mmc

731

false

5,034

Ta2 Nb2 C2 S2

data_[Ta2Nb2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2961] _cell_length_b [3.296...

0.795371

N/A

train

original data

P6_3mc

774

false

613

Hf4 Mo4 P2 N6

data_[Hf4Mo4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3231] _cell_length_b [3.3...

1

N/A

train

original data

P6_3/mmc

1,866

false

1,483