pretty_formula stringlengths 8 14 | CIF stringlengths 913 1.04k | matches_count_scaled stringclasses 9
values | Database stringclasses 1
value | Reduced Formula stringclasses 1
value | Material ID int64 1 3.81k |
|---|---|---|---|---|---|
Ta4 Mn2 Sn2 N4 | data_[Nb2Si2W2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
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 [3.0589]
_cell_length_b [3.058... | 0.2631578947368421 | N/A | N/A | 1 |
Zr2 Nb2 P2 N2 | data_[Ti4Tl2W2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
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_3/mmc]
_cell_length_a [3.1029]
_cell_length_b [3.1... | 1.0 | N/A | N/A | 2 |
Ta4 Cr2 In2 N4 | data_[Ta2Mo2P2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
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_3mc]
_cell_length_a [3.0990]
_cell_length_b [3.099... | 1.0 | N/A | N/A | 3 |
Ti4 As2 N2 | data_[Ta2Al2Cr4N4]
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
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 [3.0108]
_cell_length_b [3... | 0.2631578947368421 | N/A | N/A | 4 |
Sc2 Mn2 Tl2 N2 | data_[Ti2Mn4As2C4]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9822]
_cell_length_b [2... | 0.2631578947368421 | N/A | N/A | 5 |
Hf4 In2 N2 | data_[Sc2Ge2Mo2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
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_3mc]
_cell_length_a [3.1600]
_cell_length_b [3.1... | 0.2631578947368421 | N/A | N/A | 6 |
Nb4 Sn2 C2 | data_[Hf2Cr2P2C2]
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
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 [3.2042]
_cell_length_b [3.204... | 0.21052631578947367 | N/A | N/A | 7 |
Ti4 Mo2 P2 C4 | data_[Zr2Mo2As2C2]
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
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 [3.3302]
_cell_length_b [3.3... | 0.7953216374269005 | N/A | N/A | 8 |
Sc4 Si2 N2 | data_[Zr2V4Sn2C4]
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
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 [3.1712]
_cell_length_b [3.1... | 0.2631578947368421 | N/A | N/A | 9 |
Cr8 Si2 N6 | data_[Zr2Ta2Sn2N2]
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
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 [3.2961]
_cell_length_b [3.2... | 0.2631578947368421 | N/A | N/A | 10 |
Mo4 W2 C4 S2 | data_[Ta2Mn2Pb2N2]
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
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 [3.1291]
_cell_length_b [3.1... | 0.7953216374269005 | N/A | N/A | 11 |
Hf4 Ti2 P2 C4 | data_[Ta4Cd2C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1434]
_cell_length_b [3.1434]
_cell_length_c [14.6629]
... | 0.7953216374269005 | N/A | N/A | 12 |
Mo4 S2 N2 | data_[Ga2Mo2W2C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.0640]
_cell_length_b [3.064... | 0.2631578947368421 | N/A | N/A | 13 |
Hf4 Ta2 Cd2 C4 | data_[Zr4Sc2Si2C4]
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
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 [3.3356]
_cell_length_b [3... | 0.7953216374269005 | N/A | N/A | 14 |
Sc2 Nb2 S2 N2 | data_[Zr2Ta2Ga2N2]
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
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 [3.1474]
_cell_length_b [3.1... | 1.0 | N/A | N/A | 15 |
Zr2 Sc2 Pb2 C2 | data_[Ti2V4In2N4]
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
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 [2.9604]
_cell_length_b [2.9... | 0.7953216374269005 | N/A | N/A | 16 |
Hf4 Mn2 In2 N4 | data_[Zr2Nb4Pb2C4]
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
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 [3.2782]
_cell_length_b [3... | 0.2631578947368421 | N/A | N/A | 17 |
Sc4 Ta4 Cd2 N6 | data_[Hf4P2W4C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
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 [3.2126]
_cell_length_b [3.212... | 1.0 | N/A | N/A | 18 |
Zr2 Mn2 S2 N2 | data_[Sc4Mn2Tl2C4]
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
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 [3.1685]
_cell_length_b [3... | 0.2631578947368421 | N/A | N/A | 19 |
Nb2 Mo4 P2 C4 | data_[Ta4Ti2Cd2C4]
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
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 [3.1657]
_cell_length_b [3... | 0.7953216374269005 | N/A | N/A | 20 |
Ge2 Mo8 C6 | data_[Ta4Ti4Ga2C6]
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
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 [3.0995]
_cell_length_b [3... | 0.21052631578947367 | N/A | N/A | 21 |
Ta2 V4 Si2 C4 | data_[Nb4Al2Mo2N4]
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
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 [2.9560]
_cell_length_b [2... | 0.7953216374269005 | N/A | N/A | 22 |
Ti4 Nb2 Ge2 N4 | data_[Hf2Sc2Ga2N2]
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
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 [3.2178]
_cell_length_b [3.2... | 1.0 | N/A | N/A | 23 |
Hf4 Sc4 In2 N6 | data_[Ta2Cr4Pb2C4]
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
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 | N/A | N/A | 24 |
Hf4 Ta4 In2 C6 | data_[Mn8Ge2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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_3/mmc]
_cell_length_a [2.9039]
_cell_length_b [2.9039]
_cell_length_c [20.4901]
... | 0.7953216374269005 | N/A | N/A | 25 |
Al2 V6 C4 | data_[Ti6Ga2N4]
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 [3.0111]
_cell_length_b [3.0111]
_cell_length_c [18.2169]
... | 0.21052631578947367 | N/A | N/A | 26 |
Hf4 P2 C2 | data_[Sc4Nb4As2C6]
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
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 [3.2447]
_cell_length_b [3... | 0.21052631578947367 | N/A | N/A | 27 |
Sc4 Ta4 Si2 C6 | data_[Zr2Nb4Si2C4]
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 [3.2403]
_cell_length_b [3... | 0.7953216374269005 | N/A | N/A | 28 |
Mn4 V4 Ga2 N6 | data_[Sc2Tl2Cr4N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0923]
_cell_length_b [3... | 0.2631578947368421 | N/A | N/A | 29 |
Ga2 W8 N6 | data_[Sc2Nb4P2C4]
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
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 [3.2615]
_cell_length_b [3.2... | 0.2631578947368421 | N/A | N/A | 30 |
Zr2 Mn4 Ge2 C4 | data_[Nb6Sn2N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1720]
_cell_length_b [3.1720]
_cell_length_c [19.2536]
... | 0.21052631578947367 | N/A | N/A | 31 |
Hf2 Nb2 C2 S2 | data_[Cr4Mo4Pb2N6]
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
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 [2.9930]
_cell_length_b [2... | 0.7953216374269005 | N/A | N/A | 32 |
Mn4 Tl2 V2 C4 | data_[Sn2Mo2W2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
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_3mc]
_cell_length_a [3.2525]
_cell_length_b [3.252... | 0.21052631578947367 | N/A | N/A | 33 |
Cr2 W2 C2 S2 | data_[V4Si2W2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
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 [3.0077]
_cell_length_b [3.007... | 0.7602339181286549 | N/A | N/A | 34 |
Cr2 Si2 Mo4 C4 | data_[Ti2V2Ga2C2]
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
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 [2.9872]
_cell_length_b [2.987... | 0.7602339181286549 | N/A | N/A | 35 |
Ta4 Pb2 N2 | data_[Ti4Tl2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
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 [3.1485]
_cell_length_b [3.1485]
_cell_length_c [13.8691]
... | 0.2631578947368421 | N/A | N/A | 36 |
Hf4 Zr2 Ga2 C4 | data_[Sc4Mn4Tl2N6]
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
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 [3.0712]
_cell_length_b [3... | 0.7953216374269005 | N/A | N/A | 37 |
Zr4 Cr4 Si2 N6 | data_[Mn2V4Pb2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
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 [3.0953]
_cell_length_b [3.0... | 1.0 | N/A | N/A | 38 |
Zr4 Sc2 Al2 N4 | data_[Ti4Tl2Cr2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
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 [3.0981]
_cell_length_b [3... | 1.0 | N/A | N/A | 39 |
Sc2 Ta4 Al2 C4 | data_[Hf4V2Si2N4]
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
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 [3.1064]
_cell_length_b [3.1... | 0.7953216374269005 | N/A | N/A | 40 |
Ti4 Sn2 W4 N6 | data_[Ta2Nb2Ga2N2]
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_3mc]
_cell_length_a [2.9881]
_cell_length_b [2.9... | 1.0 | N/A | N/A | 41 |
Ti6 Al2 C4 | data_[Sc2Al2Mo2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
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 [3.0655]
_cell_length_b [3.0... | 0.21052631578947367 | N/A | N/A | 42 |
Mn2 Nb2 As2 N2 | data_[Hf4Pb2W4N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
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 [3.2414]
_cell_length_b [3.2... | 0.2631578947368421 | N/A | N/A | 43 |
Zr2 V4 As2 N4 | data_[Mn4Al2Mo2C4]
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
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 [2.9810]
_cell_length_b [2... | 1.0 | N/A | N/A | 44 |
Ti2 Mn4 Sn2 C4 | data_[Sc2Ti4Si2N4]
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
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 [3.0520]
_cell_length_b [3... | 0.21052631578947367 | N/A | N/A | 45 |
Ti4 In2 Mo2 N4 | data_[Zr2W4C4S2]
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
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 [3.1746]
_cell_length_b [3.174... | 1.0 | N/A | N/A | 46 |
Mn2 V2 Ge2 C2 | data_[Ta2Mn2As2N2]
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
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 [3.1487]
_cell_length_b [3.1... | 0.21052631578947367 | N/A | N/A | 47 |
Mn4 Cr2 Pb2 C4 | data_[Hf4Zr4P2N6]
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
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 [3.2999]
_cell_length_b [3.2... | 0.17543859649122806 | N/A | N/A | 48 |
Sc4 Ta4 Ga2 N6 | data_[Zr2Nb2P2C2]
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
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 [3.3499]
_cell_length_b [3.349... | 1.0 | N/A | N/A | 49 |
V2 Sn2 W4 N4 | data_[Ta2Ga2Mo2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
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_3mc]
_cell_length_a [2.9455]
_cell_length_b [2.9... | 1.0 | N/A | N/A | 50 |
Hf4 Pb2 W2 C4 | data_[Tl2Mo4N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2876]
_cell_length_b [3.2876]
_cell_length_c [13.3067]
... | 0.7953216374269005 | N/A | N/A | 51 |
Ta6 Al2 C4 | data_[Mn4Cr2Sn2C4]
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 [3.0131]
_cell_length_b [3... | 0.21052631578947367 | N/A | N/A | 52 |
Zr2 Ta4 P2 N4 | data_[Ta2Ti4Pb2C4]
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
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 [3.2101]
_cell_length_b [3... | 1.0 | N/A | N/A | 53 |
Zr4 Mn4 P2 N6 | data_[Hf2Ti2Tl2N2]
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
Tl 1.6200 1.9000 1.3325
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.1801]
_cell_length_b [3.1... | 0.2631578947368421 | N/A | N/A | 54 |
Nb4 W4 C6 S2 | data_[Sc2Ta2Al2N2]
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_3mc]
_cell_length_a [3.0841]
_cell_length_b [3.0... | 0.7953216374269005 | N/A | N/A | 55 |
Zr2 Mo2 P2 C2 | data_[Sc2Ta2Pb2C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.3005]
_cell_length_b [3.3... | 0.7953216374269005 | N/A | N/A | 56 |
Mn2 Nb2 Sn2 N2 | data_[Zr2Ta2Tl2N2]
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
Tl 1.6200 1.9000 1.3325
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.2584]
_cell_length_b [3.2... | 0.2631578947368421 | N/A | N/A | 57 |
Ti2 Cr4 Pb2 N4 | data_[Hf2Zr4C4S2]
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
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 [3.3856]
_cell_length_b [3.3... | 1.0 | N/A | N/A | 58 |
Sn2 Mo2 W4 C4 | data_[Ta4V4Si2C6]
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
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 [3.0433]
_cell_length_b [3.0... | 0.7953216374269005 | N/A | N/A | 59 |
Hf2 Sc4 In2 C4 | data_[Zr8Si2C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
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 [3.3437]
_cell_length_b [3.3437]
_cell_length_c [24.2661]
... | 0.7953216374269005 | N/A | N/A | 60 |
Ta4 Ti4 Ga2 C6 | data_[Tl2Mo4W2N4]
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 [2.8933]
_cell_length_b [2.8... | 0.7953216374269005 | N/A | N/A | 61 |
Hf4 Al2 Cr4 C6 | data_[Ta2V4Sn2N4]
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
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 [3.1015]
_cell_length_b [3.1... | 0.7602339181286549 | N/A | N/A | 62 |
Ta2 Cr4 Sn2 C4 | data_[Hf8Si2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
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 [3.2044]
_cell_length_b [3.2044]
_cell_length_c [23.8712]
... | 0.7602339181286549 | N/A | N/A | 63 |
Ti4 Mn4 Ga2 N6 | data_[Hf2Sn2W2C2]
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_3mc]
_cell_length_a [3.2810]
_cell_length_b [3.281... | 0.2631578947368421 | N/A | N/A | 64 |
Ta4 Al2 V2 C4 | data_[Ti4In2Mo2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
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 [3.1173]
_cell_length_b [3... | 0.7953216374269005 | N/A | N/A | 65 |
Ti2 Al2 V2 C2 | data_[Ta4Mn2Al2N4]
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
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 [2.9575]
_cell_length_b [2... | 0.7953216374269005 | N/A | N/A | 66 |
Ta2 Cd2 Mo2 C2 | data_[Nb2Mo4P2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Mo 2.1600 1.4500 0.7750
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 [3.1374]
_cell_length_b [3.1... | 0.7953216374269005 | N/A | N/A | 67 |
Hf4 Al2 W2 N4 | data_[Mn4Sn2W4N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
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 [2.9314]
_cell_length_b [2.9... | 1.0 | N/A | N/A | 68 |
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... | 0.7953216374269005 | N/A | N/A | 69 |
Hf4 Sc4 C6 S2 | data_[Al2Cr2W4N4]
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 [2.8126]
_cell_length_b [2.8... | 0.7953216374269005 | N/A | N/A | 70 |
Sc6 Sn2 N4 | data_[Sn2Mo4W4N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
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 [2.8930]
_cell_length_b [2.8... | 0.2631578947368421 | N/A | N/A | 71 |
Zr2 Ti4 Sn2 N4 | data_[Sc2Nb4S2N4]
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
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 [3.1460]
_cell_length_b [3.1... | 1.0 | N/A | N/A | 72 |
Cr6 Ga2 N4 | data_[Sc2Ta4Tl2N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0789]
_cell_length_b [3... | 0.2631578947368421 | N/A | N/A | 73 |
Hf4 Sc2 Sn2 N4 | data_[Ta2Mn4Si2N4]
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 [3.1074]
_cell_length_b [3... | 1.0 | N/A | N/A | 74 |
Hf2 Ta2 Al2 N2 | data_[Sc4Mn4Al2N6]
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
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 [3.0105]
_cell_length_b [3... | 1.0 | N/A | N/A | 75 |
Zr2 Ti2 Tl2 C2 | data_[Sc4Ga2Mo2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
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 [3.1567]
_cell_length_b [3... | 0.7894736842105263 | N/A | N/A | 76 |
Ta4 W2 S2 N4 | data_[Zr4Sc2Cd2C4]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3413]
_cell_length_b [3... | 0.9941520467836257 | N/A | N/A | 77 |
Hf4 Sn2 C2 | data_[Ti4V4In2N6]
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
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 [2.9926]
_cell_length_b [2.9... | 0.21052631578947367 | N/A | N/A | 78 |
Mn2 In2 Mo4 N4 | data_[V2Cr2P2N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [2.9750]
_cell_length_b [2.9750]... | 0.2631578947368421 | N/A | N/A | 79 |
Sc2 Mn2 Ge2 N2 | data_[Ti4Mn4Al2N6]
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
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 [2.9548]
_cell_length_b [2... | 0.2631578947368421 | N/A | N/A | 80 |
Mn4 Cd2 Mo2 C4 | data_[Zr2Pb2W4N4]
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 [3.1875]
_cell_length_b [3.1... | 0.21052631578947367 | N/A | N/A | 81 |
Sc4 Ge2 N2 | data_[Ta8Al2N6]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0658]
_cell_length_b [3.0658]
_cell_length_c [24.4885]
... | 0.2631578947368421 | N/A | N/A | 82 |
Nb4 Ga2 W4 N6 | data_[Nb6P2N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1971]
_cell_length_b [3.1971]
_cell_length_c [16.8286]
_c... | 1.0 | N/A | N/A | 83 |
Ti6 Tl2 N4 | data_[Sc4Ta4Al2C6]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2119]
_cell_length_b [3... | 0.2631578947368421 | N/A | N/A | 84 |
Sc4 Cr2 In2 C4 | data_[Sc2W2S2N2]
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_3mc]
_cell_length_a [3.2059]
_cell_length_b [3.2059]... | 0.7602339181286549 | N/A | N/A | 85 |
Sc2 Ti2 Cd2 N2 | data_[Nb4In2W2N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9821]
_cell_length_b [2.9... | 1.0 | N/A | N/A | 86 |
Ti2 Cr2 Si2 N2 | data_[Hf2Zr4Ge2N4]
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
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 [3.2109]
_cell_length_b [3... | 1.0 | N/A | N/A | 87 |
Mn2 Ga2 Mo4 C4 | data_[Nb8C6S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [3.2016]
_cell_length_b [3.2016]
_cell_length_c [22.3616]
_c... | 0.21052631578947367 | N/A | N/A | 88 |
Al2 Mo8 N6 | data_[Sc4Si2W2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
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 [3.1376]
_cell_length_b [3.1... | 0.2631578947368421 | N/A | N/A | 89 |
Ta4 As2 W4 N6 | data_[Hf4Ti4As2N6]
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
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 [3.1633]
_cell_length_b [3... | 0.9941520467836257 | N/A | N/A | 90 |
Ta4 V4 P2 C6 | data_[Sc4Mn4S2N6]
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
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 [3.1021]
_cell_length_b [3.1... | 0.7953216374269005 | N/A | N/A | 91 |
Hf8 C6 S2 | data_[Ti2Cr2Pb2N2]
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
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 [3.1707]
_cell_length_b [3.1... | 0.21052631578947367 | N/A | N/A | 92 |
Zr2 Cr2 P2 C2 | data_[Zr4Mn2S2N4]
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
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 [3.2409]
_cell_length_b [3.2... | 0.7602339181286549 | N/A | N/A | 93 |
Cr4 W4 C6 S2 | data_[Ti4Ga2W2N4]
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
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 [3.0201]
_cell_length_b [3.0... | 0.7602339181286549 | N/A | N/A | 94 |
Sc4 Ti2 Si2 N4 | data_[Hf2Zr2As2C2]
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
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 [3.4488]
_cell_length_b [3.4... | 1.0 | N/A | N/A | 95 |
Zr4 V4 P2 N6 | data_[Mn2In2W2N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.0285]
_cell_length_b [3.028... | 1.0 | N/A | N/A | 96 |
Mn2 V4 Sn2 C4 | data_[Sc4Cr2P2C4]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1160]
_cell_length_b [3.1... | 0.21052631578947367 | N/A | N/A | 97 |
Ta8 S2 N6 | data_[Mo2As2W4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
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 [3.1326]
_cell_length_b [3.1... | 0.2631578947368421 | N/A | N/A | 98 |
Zr2 Cr4 P2 C4 | data_[Zr2Mn2Si2N2]
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_3mc]
_cell_length_a [3.0562]
_cell_length_b [3.0... | 0.7602339181286549 | N/A | N/A | 99 |
Ta4 Cr2 As2 C4 | data_[Ti2Mn2P2C2]
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
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 [3.1217]
_cell_length_b [3.121... | 0.7602339181286549 | N/A | N/A | 100 |
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