Jamie1701/spliced_dataset_softened · Datasets at Hugging Face

pretty_formula stringlengths 4 14	CIF stringlengths 837 3.55k	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 17 values	Material ID int64 0 6.01k	contains_boron bool 2 classes	__index_level_0__ int64 0 6.24k
Mn4 In2 W4 C6	data_[Mn4In2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.0140] _cell_length_b [3.0...	0.204225	N/A	N/A	train	original data	P6_3/mmc	0	false	0
Ti2 Al2 W2 C2	data_[Ti2Al2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 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 [3.0173] _cell_length_b [3.017...	0.807074	N/A	N/A	train	original data	P6_3mc	2	false	1
Zr2 V2 Ge2 C2	data_[Zr2V2Ge2C2] 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_3mc] _cell_length_a [3.1569] _cell_length_b [3.156...	0.772572	N/A	N/A	train	original data	P6_3mc	3	false	2
Hf2 V2 P2 N2	data_[Hf2V2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2124] _cell_length_b [3.2124]...	0.989004	N/A	N/A	train	original data	P6_3mc	4	false	3
Mo6 P2 N4	data_[Mo6P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9394] _cell_length_b [2.9394] _cell_length_c [18.4136] _c...	0.251315	N/A	N/A	train	original data	P6_3/mmc	5	false	4
Ta4 Nb4 Ga2 N6	data_[Ta4Nb4Ga2N6] 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 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 [3.0717] _cell_length_b [3...	0.94318	N/A	N/A	train	original data	P6_3/mmc	6	false	5
V4 Cd2 W4 C6	data_[V4Cd2W4C6] 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 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 [2.9915] _cell_length_b [2.991...	0.801292	N/A	N/A	train	original data	P6_3/mmc	8	false	6
Ta4 Nb2 Sn2 C4	data_[Ta4Nb2Sn2C4] 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 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 [3.1886] _cell_length_b [3...	0.798963	N/A	N/A	train	original data	P6_3/mmc	9	false	7
Cr6 Si2 N4	data_[Cr6Si2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [2.8304] _cell_length_b [2.8304] _cell_length_c [17.2243] ...	0.30077	N/A	N/A	train	original data	P6_3/mmc	10	false	8
Ti4 Mn4 Sn2 N6	data_[Ti4Mn4Sn2N6] 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 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 [3.0311] _cell_length_b [3...	0.347969	N/A	N/A	train	original data	P6_3/mmc	13	false	9
Ta2 Nb2 Cd2 C2	data_[Ta2Nb2Cd2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1558] _cell_length_b [3.1...	0.751458	N/A	N/A	train	original data	P6_3mc	14	false	10
Nb2 Ga2 Mo2 C2	data_[Nb2Ga2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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_3mc] _cell_length_a [3.1189] _cell_length_b [3.1...	0.749499	N/A	N/A	train	original data	P6_3mc	15	false	11
Nb4 Cr4 S2 N6	data_[Nb4Cr4S2N6] 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 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 [3.1321] _cell_length_b [3.1...	0.947632	N/A	N/A	train	original data	P6_3/mmc	16	false	12
Sc8 Sn2 N6	data_[Sc8Sn2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.2366] _cell_length_b [3.2366] _cell_length_c [24.8537] ...	0.275945	N/A	N/A	train	original data	P6_3/mmc	17	false	13
Nb4 Sn2 W4 N6	data_[Nb4Sn2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 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 [3.1284] _cell_length_b [3.1...	0.768238	N/A	N/A	train	original data	P6_3/mmc	18	false	14
Zr4 Sc4 Sn2 C6	data_[Zr4Sc4Sn2C6] 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 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 [3.3707] _cell_length_b [3...	0.791035	N/A	N/A	train	original data	P6_3/mmc	19	false	15
Sc2 As2 W4 N4	data_[Sc2As2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.0751] _cell_length_b [3.0...	0.998698	N/A	N/A	train	original data	P6_3/mmc	20	false	16
Zr2 Ti2 Ga2 N2	data_[Zr2Ti2Ga2N2] 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 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1265] _cell_length_b [3.1...	0.958859	N/A	N/A	train	original data	P6_3mc	21	false	17
Hf2 Ta4 Pb2 N4	data_[Hf2Ta4Pb2N4] 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 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 [3.1634] _cell_length_b [3...	0.954706	N/A	N/A	train	original data	P6_3/mmc	22	false	18
Mn4 Nb2 In2 N4	data_[Mn4Nb2In2N4] 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 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0791] _cell_length_b [3...	0.283149	N/A	N/A	train	original data	P6_3/mmc	23	false	19
Hf4 Mo4 Pb2 C6	data_[Hf4Mo4Pb2C6] 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 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 [3.2186] _cell_length_b [3...	0.772533	N/A	N/A	train	original data	P6_3/mmc	24	false	20
Sc2 Ta4 Al2 N4	data_[Sc2Ta4Al2N4] 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 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 [3.0374] _cell_length_b [3...	0.961565	N/A	N/A	train	original data	P6_3/mmc	25	false	21
Al2 Cr4 W2 N4	data_[Al2Cr4W2N4] 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_3/mmc] _cell_length_a [2.7890] _cell_length_b [2.7...	0.961433	N/A	N/A	train	original data	P6_3/mmc	26	false	22
Ta4 Nb2 Ge2 C4	data_[Ta4Nb2Ge2C4] 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 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 [3.1622] _cell_length_b [3...	0.856344	N/A	N/A	train	original data	P6_3/mmc	27	false	23
Sc2 Nb2 In2 N2	data_[Sc2Nb2In2N2] 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 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1635] _cell_length_b [3.1...	0.9539	N/A	N/A	train	original data	P6_3mc	28	false	24
Ta2 Nb2 Al2 C2	data_[Ta2Nb2Al2C2] 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 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1085] _cell_length_b [3.1...	0.141639	N/A	N/A	train	original data	P6_3mc	29	false	25
Sc6 Tl2 N4	data_[Sc6Tl2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2478] _cell_length_b [3.2478] _cell_length_c [20.0769] ...	0.326326	N/A	N/A	train	original data	P6_3/mmc	30	false	26
Nb4 Tl2 W4 C6	data_[Nb4Tl2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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_3/mmc] _cell_length_a [3.1617] _cell_length_b [3.1...	0.752969	N/A	N/A	train	original data	P6_3/mmc	31	false	27
Ti2 Nb4 As2 C4	data_[Ti2Nb4As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 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_3/mmc] _cell_length_a [3.2291] _cell_length_b [3...	0.787636	N/A	N/A	train	original data	P6_3/mmc	32	false	28
Nb2 Al2 W2 C2	data_[Nb2Al2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 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 [3.0619] _cell_length_b [3.061...	0.79902	N/A	N/A	train	original data	P6_3mc	36	false	29
Zr4 Sc2 Cd2 N4	data_[Zr4Sc2Cd2N4] 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 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 [3.2724] _cell_length_b [3...	0.988113	N/A	N/A	train	original data	P6_3/mmc	37	false	30
Ta4 Al2 W4 C6	data_[Ta4Al2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 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 [3.1253] _cell_length_b [3.1...	0.792262	N/A	N/A	train	original data	P6_3/mmc	38	false	31
Mn2 Nb4 Sn2 N4	data_[Mn2Nb4Sn2N4] 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 [3.0890] _cell_length_b [3...	0.301369	N/A	N/A	train	original data	P6_3/mmc	39	false	32
Zr4 V4 Si2 N6	data_[Zr4V4Si2N6] 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 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 [3.1530] _cell_length_b [3.1...	0.977354	N/A	N/A	train	original data	P6_3/mmc	40	false	33
Zr4 Cr4 Cd2 C6	data_[Zr4Cr4Cd2C6] 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 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 [3.0946] _cell_length_b [3...	0.751784	N/A	N/A	train	original data	P6_3/mmc	41	false	34
Hf4 Zr4 Al2 N6	data_[Hf4Zr4Al2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 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 [3.2198] _cell_length_b [3...	0.959495	N/A	N/A	train	original data	P6_3/mmc	42	false	35
V2 Ge2 Mo4 N4	data_[V2Ge2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.0234] _cell_length_b [3.0...	0.987029	N/A	N/A	train	original data	P6_3/mmc	44	false	36
Nb4 Cr4 Cd2 N6	data_[Nb4Cr4Cd2N6] 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 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 [3.0278] _cell_length_b [3...	0.978692	N/A	N/A	train	original data	P6_3/mmc	45	false	37
Nb4 W2 S2 N4	data_[Nb4W2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.0426] _cell_length_b [3.042...	0.992587	N/A	N/A	train	original data	P6_3/mmc	46	false	38
V8 Cd2 N6	data_[V8Cd2N6] 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 [2.9508] _cell_length_b [2.9508] _cell_length_c [23.1871] _c...	0.282528	N/A	N/A	train	original data	P6_3/mmc	47	false	39
Sc2 Mn2 In2 N2	data_[Sc2Mn2In2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mn 1.5500 1.4000 0.6483 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0945] _cell_length_b [3.0...	0.321472	N/A	N/A	train	original data	P6_3mc	48	false	40
Ta2 V2 S2 N2	data_[Ta2V2S2N2] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2114] _cell_length_b [3.2114]...	0.946498	N/A	N/A	train	original data	P6_3mc	49	false	41
Zr2 Mn4 As2 N4	data_[Zr2Mn4As2N4] 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 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 [3.2183] _cell_length_b [3...	0.307954	N/A	N/A	train	original data	P6_3/mmc	51	false	42
Hf2 Ti4 Cd2 N4	data_[Hf2Ti4Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 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 [3.1480] _cell_length_b [3...	0.948268	N/A	N/A	train	original data	P6_3/mmc	54	false	43
Ti2 V2 C2 S2	data_[Ti2V2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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_3mc] _cell_length_a [3.1592] _cell_length_b [3.1592]...	0.776503	N/A	N/A	train	original data	P6_3mc	56	false	44
Ta2 Ti4 In2 C4	data_[Ta2Ti4In2C4] 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 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 [3.1737] _cell_length_b [3...	0.767432	N/A	N/A	train	original data	P6_3/mmc	57	false	45
Ti2 V4 S2 N4	data_[Ti2V4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 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 [3.0071] _cell_length_b [3.007...	0.490675	N/A	N/A	train	original data	P6_3/mmc	58	false	46
Mn2 Nb2 Si2 C2	data_[Mn2Nb2Si2C2] 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 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0945] _cell_length_b [3.0...	0.963637	N/A	N/A	train	original data	P6_3mc	59	false	47
Sc4 Tl2 Mo4 C6	data_[Sc4Tl2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 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 [3.1638] _cell_length_b [3...	0.776691	N/A	N/A	train	original data	P6_3/mmc	60	false	48
Cr4 Mo2 As2 N4	data_[Cr4Mo2As2N4] 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 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 [3.0903] _cell_length_b [3...	0.985975	N/A	N/A	train	original data	P6_3/mmc	61	false	49
Ta4 Sn2 Mo4 N6	data_[Ta4Sn2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [3.2545] _cell_length_b [3...	0.944776	N/A	N/A	train	original data	P6_3/mmc	63	false	50
Zr4 Pb2 W4 N6	data_[Zr4Pb2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Pb 2.3300 1.8000 1.1225 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 [3.2608] _cell_length_b [3.2...	0.943209	N/A	N/A	train	original data	P6_3/mmc	64	false	51
Ti4 P2 W4 C6	data_[Ti4P2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.0847] _cell_length_b [3.084...	0.764905	N/A	N/A	train	original data	P6_3/mmc	65	false	52
Hf2 Sn2 W4 C4	data_[Hf2Sn2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sn 1.9600 1.4500 0.8300 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 [3.1743] _cell_length_b [3.1...	0.477399	N/A	N/A	train	original data	P6_3/mmc	66	false	53
Ti4 Sn2 Mo2 C4	data_[Ti4Sn2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 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 [3.1537] _cell_length_b [3...	0.792445	N/A	N/A	train	original data	P6_3/mmc	68	false	54
Ga2 Mo4 W2 N4	data_[Ga2Mo4W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 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 [2.8278] _cell_length_b [2.8...	0.974512	N/A	N/A	train	original data	P6_3/mmc	70	false	55
Sc4 V4 As2 C6	data_[Sc4V4As2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 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 [3.1166] _cell_length_b [3.1...	0.771772	N/A	N/A	train	original data	P6_3/mmc	71	false	56
Hf2 Ti2 Cd2 N2	data_[Hf2Ti2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 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 [3.1626] _cell_length_b [3.1...	0.975639	N/A	N/A	train	original data	P6_3mc	72	false	57
Mn4 Al2 W4 C6	data_[Mn4Al2W4C6] 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 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 [3.0490] _cell_length_b [3.0...	0.217499	N/A	N/A	train	original data	P6_3/mmc	74	false	58
Hf2 Ta2 Ge2 C2	data_[Hf2Ta2Ge2C2] 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 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2261] _cell_length_b [3.2...	0.789125	N/A	N/A	train	original data	P6_3mc	75	false	59
Ti2 Nb2 Ga2 C2	data_[Ti2Nb2Ga2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 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 [3.0958] _cell_length_b [3.0...	0.755534	N/A	N/A	train	original data	P6_3mc	76	false	60
Ti2 Mn2 Sn2 C2	data_[Ti2Mn2Sn2C2] 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 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1363] _cell_length_b [3.1...	0.210402	N/A	N/A	train	original data	P6_3mc	77	false	61
Zr4 V4 In2 C6	data_[Zr4V4In2C6] 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 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 [3.1928] _cell_length_b [3.1...	0.751967	N/A	N/A	train	original data	P6_3/mmc	78	false	62
Sc4 Cr2 Cd2 C4	data_[Sc4Cr2Cd2C4] 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 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 [3.1142] _cell_length_b [3...	0.767092	N/A	N/A	train	original data	P6_3/mmc	79	false	63
Cr4 Mo4 As2 N6	data_[Cr4Mo4As2N6] 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 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 [3.0901] _cell_length_b [3...	0.963973	N/A	N/A	train	original data	P6_3/mmc	81	false	64
Tl2 Mo4 W4 N6	data_[Tl2Mo4W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 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 [2.8664] _cell_length_b [2.8...	0.765654	N/A	N/A	train	original data	P6_3/mmc	82	false	65
Nb8 Al2 N6	data_[Nb8Al2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0828] _cell_length_b [3.0828] _cell_length_c [24.4017] ...	0.481562	N/A	N/A	train	original data	P6_3/mmc	83	false	66
Sc2 Tl2 Cr2 C2	data_[Sc2Tl2Cr2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1415] _cell_length_b [3.1...	0.710504	N/A	N/A	train	original data	P6_3mc	84	false	67
Ta2 V2 P2 C2	data_[Ta2V2P2C2] 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_3mc] _cell_length_a [3.1936] _cell_length_b [3.1936]...	0.796653	N/A	N/A	train	original data	P6_3mc	85	false	68
Ta2 Cd2 Mo4 N4	data_[Ta2Cd2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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_3/mmc] _cell_length_a [2.9487] _cell_length_b [2...	0.061556	N/A	N/A	train	original data	P6_3/mmc	86	false	69
Ti4 Cr2 Ge2 N4	data_[Ti4Cr2Ge2N4] 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 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 [2.9978] _cell_length_b [2...	0.960228	N/A	N/A	train	original data	P6_3/mmc	87	false	70
Sc2 Mn2 Ga2 C2	data_[Sc2Mn2Ga2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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_3mc] _cell_length_a [3.0690] _cell_length_b [3.0...	0.204679	N/A	N/A	train	original data	P6_3mc	89	false	71
Hf4 Ti4 Ga2 C6	data_[Hf4Ti4Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 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 [3.1955] _cell_length_b [3...	0.753224	N/A	N/A	train	original data	P6_3/mmc	90	false	72
Mn4 Si2 W2 C4	data_[Mn4Si2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 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 [2.9921] _cell_length_b [2.9...	0.217711	N/A	N/A	train	original data	P6_3/mmc	91	false	73
Zr2 Mn2 Pb2 N2	data_[Zr2Mn2Pb2N2] 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 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3030] _cell_length_b [3.3...	0.284609	N/A	N/A	train	original data	P6_3mc	92	false	74
Hf4 As2 W4 C6	data_[Hf4As2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2171] _cell_length_b [3.2...	0.754978	N/A	N/A	train	original data	P6_3/mmc	93	false	75
Ti4 Nb4 C6 S2	data_[Ti4Nb4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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_3/mmc] _cell_length_a [3.1353] _cell_length_b [3.1...	0.2114	N/A	N/A	train	original data	P6_3/mmc	94	false	76
Sc2 Ta2 As2 N2	data_[Sc2Ta2As2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2981] _cell_length_b [3.2...	0.98566	N/A	N/A	train	original data	P6_3mc	95	false	77
Ta2 Al2 W2 N2	data_[Ta2Al2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 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 [2.9131] _cell_length_b [2.913...	0.640526	N/A	N/A	train	original data	P6_3mc	96	false	78
Hf4 Cr4 Cd2 C6	data_[Hf4Cr4Cd2C6] 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 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 [3.0872] _cell_length_b [3...	0.727545	N/A	N/A	train	original data	P6_3/mmc	97	false	79
Zr2 Cr2 Si2 N2	data_[Zr2Cr2Si2N2] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1454] _cell_length_b [3.1...	0.941272	N/A	N/A	train	original data	P6_3mc	98	false	80
Mn2 Ga2 W2 N2	data_[Mn2Ga2W2N2] 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 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 [2.9733] _cell_length_b [2.973...	0.241479	N/A	N/A	train	original data	P6_3mc	99	false	81
Ta4 Cr2 Ga2 C4	data_[Ta4Cr2Ga2C4] 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 [3.0637] _cell_length_b [3...	0.718129	N/A	N/A	train	original data	P6_3/mmc	100	false	82
Sc6 Sn2 C4	data_[Sc6Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.3301] _cell_length_b [3.3301] _cell_length_c [20.8120] ...	0.272044	N/A	N/A	train	original data	P6_3/mmc	101	false	83
Sc4 Ta2 P2 N4	data_[Sc4Ta2P2N4] 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 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 [3.2453] _cell_length_b [3.2...	0.992974	N/A	N/A	train	original data	P6_3/mmc	102	false	84
Zr2 Mn2 Ge2 N2	data_[Zr2Mn2Ge2N2] 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 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2551] _cell_length_b [3.2...	0.322282	N/A	N/A	train	original data	P6_3mc	103	false	85
Zr2 Cr2 Ga2 C2	data_[Zr2Cr2Ga2C2] 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 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 [3.0894] _cell_length_b [3.0...	0.758606	N/A	N/A	train	original data	P6_3mc	105	false	86
Si2 Mo4 W4 C6	data_[Si2Mo4W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 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 [3.0893] _cell_length_b [3.0...	0.752877	N/A	N/A	train	original data	P6_3/mmc	106	false	87
Hf4 Ta2 Ga2 N4	data_[Hf4Ta2Ga2N4] 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 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 [3.1585] _cell_length_b [3...	0.963109	N/A	N/A	train	original data	P6_3/mmc	107	false	88
Hf4 Cr4 Sn2 C6	data_[Hf4Cr4Sn2C6] 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 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 [3.2054] _cell_length_b [3...	0.771631	N/A	N/A	train	original data	P6_3/mmc	108	false	89
In2 Mo4 W2 C4	data_[In2Mo4W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 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 [3.1126] _cell_length_b [3.1...	0.792908	N/A	N/A	train	original data	P6_3/mmc	109	false	90
Mo4 Pb2 W2 C4	data_[Mo4Pb2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 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 [3.1706] _cell_length_b [3.1...	0.797815	N/A	N/A	train	original data	P6_3/mmc	110	false	91
Sc4 Nb4 Cd2 N6	data_[Sc4Nb4Cd2N6] 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 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 [3.1526] _cell_length_b [3...	0.949092	N/A	N/A	train	original data	P6_3/mmc	111	false	92
Hf4 Nb2 Si2 C4	data_[Hf4Nb2Si2C4] 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 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 [3.2503] _cell_length_b [3...	0.779377	N/A	N/A	train	original data	P6_3/mmc	114	false	93
Nb4 V4 In2 C6	data_[Nb4V4In2C6] 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 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 [3.0903] _cell_length_b [3.0...	0.767179	N/A	N/A	train	original data	P6_3/mmc	117	false	94
Sc2 Cr4 Ga2 C4	data_[Sc2Cr4Ga2C4] 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 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 [3.0369] _cell_length_b [3...	0.740649	N/A	N/A	train	original data	P6_3/mmc	119	false	95
Mn2 Cr4 As2 N4	data_[Mn2Cr4As2N4] 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 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 [2.9514] _cell_length_b [2...	0.312713	N/A	N/A	train	original data	P6_3/mmc	122	false	96
Sc2 Tl2 W2 N2	data_[Sc2Tl2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 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 [3.1674] _cell_length_b [3.167...	0.949845	N/A	N/A	train	original data	P6_3mc	123	false	97
Zr2 Ti2 Cd2 N2	data_[Zr2Ti2Cd2N2] 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 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 [3.1769] _cell_length_b [3.1...	0.983346	N/A	N/A	train	original data	P6_3mc	124	false	98
Cr6 Pb2 N4	data_[Cr6Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0601] _cell_length_b [3.0601] _cell_length_c [18.1921] ...	0.288001	N/A	N/A	train	original data	P6_3/mmc	125	false	99

Mn4 In2 W4 C6

data_[Mn4In2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.0140] _cell_length_b [3.0...

0.204225

N/A

train

original data

P6_3/mmc

0

false

0

Ti2 Al2 W2 C2

data_[Ti2Al2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 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 [3.0173] _cell_length_b [3.017...

0.807074

N/A

train

original data

P6_3mc

2

false

1

Zr2 V2 Ge2 C2

data_[Zr2V2Ge2C2] 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_3mc] _cell_length_a [3.1569] _cell_length_b [3.156...

0.772572

N/A

train

original data

P6_3mc

3

false

2

Hf2 V2 P2 N2

data_[Hf2V2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2124] _cell_length_b [3.2124]...

0.989004

N/A

train

original data

P6_3mc

4

false

3

Mo6 P2 N4

data_[Mo6P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9394] _cell_length_b [2.9394] _cell_length_c [18.4136] _c...

0.251315

N/A

train

original data

P6_3/mmc

5

false

4

Ta4 Nb4 Ga2 N6

data_[Ta4Nb4Ga2N6] 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 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 [3.0717] _cell_length_b [3...

0.94318

N/A

train

original data

P6_3/mmc

6

false

5

V4 Cd2 W4 C6

data_[V4Cd2W4C6] 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 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 [2.9915] _cell_length_b [2.991...

0.801292

N/A

train

original data

P6_3/mmc

8

false

6

Ta4 Nb2 Sn2 C4

data_[Ta4Nb2Sn2C4] 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 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 [3.1886] _cell_length_b [3...

0.798963

N/A

train

original data

P6_3/mmc

9

false

7

Cr6 Si2 N4

data_[Cr6Si2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [2.8304] _cell_length_b [2.8304] _cell_length_c [17.2243] ...

0.30077

N/A

train

original data

P6_3/mmc

10

false

8

Ti4 Mn4 Sn2 N6

data_[Ti4Mn4Sn2N6] 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 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 [3.0311] _cell_length_b [3...

0.347969

N/A

train

original data

P6_3/mmc

13

false

9

Ta2 Nb2 Cd2 C2

data_[Ta2Nb2Cd2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1558] _cell_length_b [3.1...

0.751458

N/A

train

original data

P6_3mc

14

false

10

Nb2 Ga2 Mo2 C2

data_[Nb2Ga2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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_3mc] _cell_length_a [3.1189] _cell_length_b [3.1...

0.749499

N/A

train

original data

P6_3mc

15

false

11

Nb4 Cr4 S2 N6

data_[Nb4Cr4S2N6] 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 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 [3.1321] _cell_length_b [3.1...

0.947632

N/A

train

original data

P6_3/mmc

16

false

12

Sc8 Sn2 N6

data_[Sc8Sn2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.2366] _cell_length_b [3.2366] _cell_length_c [24.8537] ...

0.275945

N/A

train

original data

P6_3/mmc

17

false

13

Nb4 Sn2 W4 N6

data_[Nb4Sn2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 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 [3.1284] _cell_length_b [3.1...

0.768238

N/A

train

original data

P6_3/mmc

18

false

14

Zr4 Sc4 Sn2 C6

data_[Zr4Sc4Sn2C6] 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 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 [3.3707] _cell_length_b [3...

0.791035

N/A

train

original data

P6_3/mmc

19

false

15

Sc2 As2 W4 N4

data_[Sc2As2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.0751] _cell_length_b [3.0...

0.998698

N/A

train

original data

P6_3/mmc

20

false

16

Zr2 Ti2 Ga2 N2

data_[Zr2Ti2Ga2N2] 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 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1265] _cell_length_b [3.1...

0.958859

N/A

train

original data

P6_3mc

21

false

17

Hf2 Ta4 Pb2 N4

data_[Hf2Ta4Pb2N4] 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 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 [3.1634] _cell_length_b [3...

0.954706

N/A

train

original data

P6_3/mmc

22

false

18

Mn4 Nb2 In2 N4

data_[Mn4Nb2In2N4] 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 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0791] _cell_length_b [3...

0.283149

N/A

train

original data

P6_3/mmc

23

false

19

Hf4 Mo4 Pb2 C6

data_[Hf4Mo4Pb2C6] 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 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 [3.2186] _cell_length_b [3...

0.772533

N/A

train

original data

P6_3/mmc

24

false

20

Sc2 Ta4 Al2 N4

data_[Sc2Ta4Al2N4] 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 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 [3.0374] _cell_length_b [3...

0.961565

N/A

train

original data

P6_3/mmc

25

false

21

Al2 Cr4 W2 N4

data_[Al2Cr4W2N4] 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_3/mmc] _cell_length_a [2.7890] _cell_length_b [2.7...

0.961433

N/A

train

original data

P6_3/mmc

26

false

22

Ta4 Nb2 Ge2 C4

data_[Ta4Nb2Ge2C4] 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 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 [3.1622] _cell_length_b [3...

0.856344

N/A

train

original data

P6_3/mmc

27

false

23

Sc2 Nb2 In2 N2

data_[Sc2Nb2In2N2] 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 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1635] _cell_length_b [3.1...

0.9539

N/A

train

original data

P6_3mc

28

false

24

Ta2 Nb2 Al2 C2

data_[Ta2Nb2Al2C2] 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 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1085] _cell_length_b [3.1...

0.141639

N/A

train

original data

P6_3mc

29

false

25

Sc6 Tl2 N4

data_[Sc6Tl2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2478] _cell_length_b [3.2478] _cell_length_c [20.0769] ...

0.326326

N/A

train

original data

P6_3/mmc

30

false

26

Nb4 Tl2 W4 C6

data_[Nb4Tl2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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_3/mmc] _cell_length_a [3.1617] _cell_length_b [3.1...

0.752969

N/A

train

original data

P6_3/mmc

31

false

27

Ti2 Nb4 As2 C4

data_[Ti2Nb4As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 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_3/mmc] _cell_length_a [3.2291] _cell_length_b [3...

0.787636

N/A

train

original data

P6_3/mmc

32

false

28

Nb2 Al2 W2 C2

data_[Nb2Al2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 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 [3.0619] _cell_length_b [3.061...

0.79902

N/A

train

original data

P6_3mc

36

false

29

Zr4 Sc2 Cd2 N4

data_[Zr4Sc2Cd2N4] 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 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 [3.2724] _cell_length_b [3...

0.988113

N/A

train

original data

P6_3/mmc

37

false

30

Ta4 Al2 W4 C6

data_[Ta4Al2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 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 [3.1253] _cell_length_b [3.1...

0.792262

N/A

train

original data

P6_3/mmc

38

false

31

Mn2 Nb4 Sn2 N4

data_[Mn2Nb4Sn2N4] 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 [3.0890] _cell_length_b [3...

0.301369

N/A

train

original data

P6_3/mmc

39

false

32

Zr4 V4 Si2 N6

data_[Zr4V4Si2N6] 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 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 [3.1530] _cell_length_b [3.1...

0.977354

N/A

train

original data

P6_3/mmc

40

false

33

Zr4 Cr4 Cd2 C6

data_[Zr4Cr4Cd2C6] 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 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 [3.0946] _cell_length_b [3...

0.751784

N/A

train

original data

P6_3/mmc

41

false

34

Hf4 Zr4 Al2 N6

data_[Hf4Zr4Al2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 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 [3.2198] _cell_length_b [3...

0.959495

N/A

train

original data

P6_3/mmc

42

false

35

V2 Ge2 Mo4 N4

data_[V2Ge2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.0234] _cell_length_b [3.0...

0.987029

N/A

train

original data

P6_3/mmc

44

false

36

Nb4 Cr4 Cd2 N6

data_[Nb4Cr4Cd2N6] 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 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 [3.0278] _cell_length_b [3...

0.978692

N/A

train

original data

P6_3/mmc

45

false

37

Nb4 W2 S2 N4

data_[Nb4W2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.0426] _cell_length_b [3.042...

0.992587

N/A

train

original data

P6_3/mmc

46

false

38

V8 Cd2 N6

data_[V8Cd2N6] 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 [2.9508] _cell_length_b [2.9508] _cell_length_c [23.1871] _c...

0.282528

N/A

train

original data

P6_3/mmc

47

false

39

Sc2 Mn2 In2 N2

data_[Sc2Mn2In2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mn 1.5500 1.4000 0.6483 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0945] _cell_length_b [3.0...

0.321472

N/A

train

original data

P6_3mc

48

false

40

Ta2 V2 S2 N2

data_[Ta2V2S2N2] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2114] _cell_length_b [3.2114]...

0.946498

N/A

train

original data

P6_3mc

49

false

41

Zr2 Mn4 As2 N4

data_[Zr2Mn4As2N4] 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 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 [3.2183] _cell_length_b [3...

0.307954

N/A

train

original data

P6_3/mmc

51

false

42

Hf2 Ti4 Cd2 N4

data_[Hf2Ti4Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 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 [3.1480] _cell_length_b [3...

0.948268

N/A

train

original data

P6_3/mmc

54

false

43

Ti2 V2 C2 S2

data_[Ti2V2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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_3mc] _cell_length_a [3.1592] _cell_length_b [3.1592]...

0.776503

N/A

train

original data

P6_3mc

56

false

44

Ta2 Ti4 In2 C4

data_[Ta2Ti4In2C4] 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 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 [3.1737] _cell_length_b [3...

0.767432

N/A

train

original data

P6_3/mmc

57

false

45

Ti2 V4 S2 N4

data_[Ti2V4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 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 [3.0071] _cell_length_b [3.007...

0.490675

N/A

train

original data

P6_3/mmc

58

false

46

Mn2 Nb2 Si2 C2

data_[Mn2Nb2Si2C2] 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 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0945] _cell_length_b [3.0...

0.963637

N/A

train

original data

P6_3mc

59

false

47

Sc4 Tl2 Mo4 C6

data_[Sc4Tl2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 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 [3.1638] _cell_length_b [3...

0.776691

N/A

train

original data

P6_3/mmc

60

false

48

Cr4 Mo2 As2 N4

data_[Cr4Mo2As2N4] 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 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 [3.0903] _cell_length_b [3...

0.985975

N/A

train

original data

P6_3/mmc

61

false

49

Ta4 Sn2 Mo4 N6

data_[Ta4Sn2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [3.2545] _cell_length_b [3...

0.944776

N/A

train

original data

P6_3/mmc

63

false

50

Zr4 Pb2 W4 N6

data_[Zr4Pb2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Pb 2.3300 1.8000 1.1225 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 [3.2608] _cell_length_b [3.2...

0.943209

N/A

train

original data

P6_3/mmc

64

false

51

Ti4 P2 W4 C6

data_[Ti4P2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.0847] _cell_length_b [3.084...

0.764905

N/A

train

original data

P6_3/mmc

65

false

52

Hf2 Sn2 W4 C4

data_[Hf2Sn2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sn 1.9600 1.4500 0.8300 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 [3.1743] _cell_length_b [3.1...

0.477399

N/A

train

original data

P6_3/mmc

66

false

53

Ti4 Sn2 Mo2 C4

data_[Ti4Sn2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 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 [3.1537] _cell_length_b [3...

0.792445

N/A

train

original data

P6_3/mmc

68

false

54

Ga2 Mo4 W2 N4

data_[Ga2Mo4W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 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 [2.8278] _cell_length_b [2.8...

0.974512

N/A

train

original data

P6_3/mmc

70

false

55

Sc4 V4 As2 C6

data_[Sc4V4As2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 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 [3.1166] _cell_length_b [3.1...

0.771772

N/A

train

original data

P6_3/mmc

71

false

56

Hf2 Ti2 Cd2 N2

data_[Hf2Ti2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 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 [3.1626] _cell_length_b [3.1...

0.975639

N/A

train

original data

P6_3mc

72

false

57

Mn4 Al2 W4 C6

data_[Mn4Al2W4C6] 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 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 [3.0490] _cell_length_b [3.0...

0.217499

N/A

train

original data

P6_3/mmc

74

false

58

Hf2 Ta2 Ge2 C2

data_[Hf2Ta2Ge2C2] 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 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2261] _cell_length_b [3.2...

0.789125

N/A

train

original data

P6_3mc

75

false

59

Ti2 Nb2 Ga2 C2

data_[Ti2Nb2Ga2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 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 [3.0958] _cell_length_b [3.0...

0.755534

N/A

train

original data

P6_3mc

76

false

60

Ti2 Mn2 Sn2 C2

data_[Ti2Mn2Sn2C2] 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 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1363] _cell_length_b [3.1...

0.210402

N/A

train

original data

P6_3mc

77

false

61

Zr4 V4 In2 C6

data_[Zr4V4In2C6] 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 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 [3.1928] _cell_length_b [3.1...

0.751967

N/A

train

original data

P6_3/mmc

78

false

62

Sc4 Cr2 Cd2 C4

data_[Sc4Cr2Cd2C4] 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 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 [3.1142] _cell_length_b [3...

0.767092

N/A

train

original data

P6_3/mmc

79

false

63

Cr4 Mo4 As2 N6

data_[Cr4Mo4As2N6] 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 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 [3.0901] _cell_length_b [3...

0.963973

N/A

train

original data

P6_3/mmc

81

false

64

Tl2 Mo4 W4 N6

data_[Tl2Mo4W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 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 [2.8664] _cell_length_b [2.8...

0.765654

N/A

train

original data

P6_3/mmc

82

false

65

Nb8 Al2 N6

data_[Nb8Al2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0828] _cell_length_b [3.0828] _cell_length_c [24.4017] ...

0.481562

N/A

train

original data

P6_3/mmc

83

false

66

Sc2 Tl2 Cr2 C2

data_[Sc2Tl2Cr2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1415] _cell_length_b [3.1...

0.710504

N/A

train

original data

P6_3mc

84

false

67

Ta2 V2 P2 C2

data_[Ta2V2P2C2] 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_3mc] _cell_length_a [3.1936] _cell_length_b [3.1936]...

0.796653

N/A

train

original data

P6_3mc

85

false

68

Ta2 Cd2 Mo4 N4

data_[Ta2Cd2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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_3/mmc] _cell_length_a [2.9487] _cell_length_b [2...

0.061556

N/A

train

original data

P6_3/mmc

86

false

69

Ti4 Cr2 Ge2 N4

data_[Ti4Cr2Ge2N4] 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 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 [2.9978] _cell_length_b [2...

0.960228

N/A

train

original data

P6_3/mmc

87

false

70

Sc2 Mn2 Ga2 C2

data_[Sc2Mn2Ga2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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_3mc] _cell_length_a [3.0690] _cell_length_b [3.0...

0.204679

N/A

train

original data

P6_3mc

89

false

71

Hf4 Ti4 Ga2 C6

data_[Hf4Ti4Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 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 [3.1955] _cell_length_b [3...

0.753224

N/A

train

original data

P6_3/mmc

90

false

72

Mn4 Si2 W2 C4

data_[Mn4Si2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 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 [2.9921] _cell_length_b [2.9...

0.217711

N/A

train

original data

P6_3/mmc

91

false

73

Zr2 Mn2 Pb2 N2

data_[Zr2Mn2Pb2N2] 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 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3030] _cell_length_b [3.3...

0.284609

N/A

train

original data

P6_3mc

92

false

74

Hf4 As2 W4 C6

data_[Hf4As2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2171] _cell_length_b [3.2...

0.754978

N/A

train

original data

P6_3/mmc

93

false

75

Ti4 Nb4 C6 S2

data_[Ti4Nb4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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_3/mmc] _cell_length_a [3.1353] _cell_length_b [3.1...

0.2114

N/A

train

original data

P6_3/mmc

94

false

76

Sc2 Ta2 As2 N2

data_[Sc2Ta2As2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2981] _cell_length_b [3.2...

0.98566

N/A

train

original data

P6_3mc

95

false

77

Ta2 Al2 W2 N2

data_[Ta2Al2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 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 [2.9131] _cell_length_b [2.913...

0.640526

N/A

train

original data

P6_3mc

96

false

78

Hf4 Cr4 Cd2 C6

data_[Hf4Cr4Cd2C6] 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 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 [3.0872] _cell_length_b [3...

0.727545

N/A

train

original data

P6_3/mmc

97

false

79

Zr2 Cr2 Si2 N2

data_[Zr2Cr2Si2N2] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1454] _cell_length_b [3.1...

0.941272

N/A

train

original data

P6_3mc

98

false

80

Mn2 Ga2 W2 N2

data_[Mn2Ga2W2N2] 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 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 [2.9733] _cell_length_b [2.973...

0.241479

N/A

train

original data

P6_3mc

99

false

81

Ta4 Cr2 Ga2 C4

data_[Ta4Cr2Ga2C4] 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 [3.0637] _cell_length_b [3...

0.718129

N/A

train

original data

P6_3/mmc

100

false

82

Sc6 Sn2 C4

data_[Sc6Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.3301] _cell_length_b [3.3301] _cell_length_c [20.8120] ...

0.272044

N/A

train

original data

P6_3/mmc

101

false

83

Sc4 Ta2 P2 N4

data_[Sc4Ta2P2N4] 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 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 [3.2453] _cell_length_b [3.2...

0.992974

N/A

train

original data

P6_3/mmc

102

false

84

Zr2 Mn2 Ge2 N2

data_[Zr2Mn2Ge2N2] 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 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2551] _cell_length_b [3.2...

0.322282

N/A

train

original data

P6_3mc

103

false

85

Zr2 Cr2 Ga2 C2

data_[Zr2Cr2Ga2C2] 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 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 [3.0894] _cell_length_b [3.0...

0.758606

N/A

train

original data

P6_3mc

105

false

86

Si2 Mo4 W4 C6

data_[Si2Mo4W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 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 [3.0893] _cell_length_b [3.0...

0.752877

N/A

train

original data

P6_3/mmc

106

false

87

Hf4 Ta2 Ga2 N4

data_[Hf4Ta2Ga2N4] 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 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 [3.1585] _cell_length_b [3...

0.963109

N/A

train

original data

P6_3/mmc

107

false

88

Hf4 Cr4 Sn2 C6

data_[Hf4Cr4Sn2C6] 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 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 [3.2054] _cell_length_b [3...

0.771631

N/A

train

original data

P6_3/mmc

108

false

89

In2 Mo4 W2 C4

data_[In2Mo4W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 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 [3.1126] _cell_length_b [3.1...

0.792908

N/A

train

original data

P6_3/mmc

109

false

90

Mo4 Pb2 W2 C4

data_[Mo4Pb2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 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 [3.1706] _cell_length_b [3.1...

0.797815

N/A

train

original data

P6_3/mmc

110

false

91

Sc4 Nb4 Cd2 N6

data_[Sc4Nb4Cd2N6] 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 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 [3.1526] _cell_length_b [3...

0.949092

N/A

train

original data

P6_3/mmc

111

false

92

Hf4 Nb2 Si2 C4

data_[Hf4Nb2Si2C4] 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 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 [3.2503] _cell_length_b [3...

0.779377

N/A

train

original data

P6_3/mmc

114

false

93

Nb4 V4 In2 C6

data_[Nb4V4In2C6] 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 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 [3.0903] _cell_length_b [3.0...

0.767179

N/A

train

original data

P6_3/mmc

117

false

94

Sc2 Cr4 Ga2 C4

data_[Sc2Cr4Ga2C4] 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 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 [3.0369] _cell_length_b [3...

0.740649

N/A

train

original data

P6_3/mmc

119

false

95

Mn2 Cr4 As2 N4

data_[Mn2Cr4As2N4] 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 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 [2.9514] _cell_length_b [2...

0.312713

N/A

train

original data

P6_3/mmc

122

false

96

Sc2 Tl2 W2 N2

data_[Sc2Tl2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 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 [3.1674] _cell_length_b [3.167...

0.949845

N/A

train

original data

P6_3mc

123

false

97

Zr2 Ti2 Cd2 N2

data_[Zr2Ti2Cd2N2] 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 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 [3.1769] _cell_length_b [3.1...

0.983346

N/A

train

original data

P6_3mc

124

false

98

Cr6 Pb2 N4

data_[Cr6Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0601] _cell_length_b [3.0601] _cell_length_c [18.1921] ...

0.288001

N/A

train

original data

P6_3/mmc

125

false

99