Datasets:
Jamie1701
/
spliced_dataset_split

Dataset card Data Studio Files
xet
 Community
1
pretty_formula
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4
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CIF
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float64
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1
Database
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1 value
Reduced Formula
stringclasses
1 value
split
stringclasses
3 values
source
stringclasses
2 values
space_group
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15 values
Material ID
int64
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6.01k
contains_Boron
bool
2 classes
__index_level_0__
int64
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6.18k
Sc2 Ge2 Mo4 C4
data_[Sc2Ge2Mo4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1544] _cell_length_b [3...
0.796912
N/A
N/A
train
original data
P6_3/mmc
5,671
false
4,542
Hf2 Cd2 W2 N2
data_[Hf2Cd2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1666] _cell_length_b [3.166...
1
N/A
N/A
test
original data
P6_3mc
4,171
false
5,992
Mn4 Ga2 W4 C6
data_[Mn4Ga2W4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9477] _cell_length_b [2.9...
0.226348
N/A
N/A
train
original data
P6_3/mmc
1,036
false
824
Sc4 W4 C6 S2
data_[Sc4W4C6S2] 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 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 [3.2078] _cell_length_b [3.207...
0.792398
N/A
N/A
train
original data
P6_3/mmc
694
false
550
Cr4 Mo2 S2 N4
data_[Cr4Mo2S2N4] 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 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 [3.1150] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,012
false
2,402
Ta2 Al2 Mo4 N4
data_[Ta2Al2Mo4N4] 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 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 [2.9126] _cell_length_b [2...
1
N/A
N/A
validation
original data
P6_3/mmc
5,392
false
5,511
Ti2 Mo4 C4 S2
data_[Ti2Mo4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0698] _cell_length_b [3.0...
0.792471
N/A
N/A
train
original data
P6_3/mmc
4,383
false
3,512
Sc2 Nb4 S2 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
N/A
N/A
train
original data
P6_3/mmc
3,432
false
2,749
Hf2 Nb2 As2 N2
data_[Hf2Nb2As2N2] 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 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 [3.3538] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
2,955
false
2,360
Ti2 Mo4 P2 C4
data_[Ti2Mo4P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.0819] _cell_length_b [3.0...
0.795612
N/A
N/A
train
original data
P6_3/mmc
4,657
false
3,731
Nb6 As2 C4
data_[Nb6As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.2293] _cell_length_b [3.2293] _cell_length_c [17.6434] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,126
false
1,695
Nb4 Pb2 W2 N4
data_[Nb4Pb2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.3372] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3/mmc
5,087
false
4,074
Mn4 Mo2 As2 N4
data_[Mn4Mo2As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Mo 2.1600 1.4500 0.7750 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 [3.0262] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,982
false
3,987
Mn4 V2 In2 N4
data_[Mn4V2In2N4] 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 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 [2.9922] _cell_length_b [2.9...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,996
false
2,389
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...
0.75786
N/A
N/A
train
original data
P6_3/mmc
79
false
63
Zr2 Ta4 Cd2 C4
data_[Zr2Ta4Cd2C4] 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 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 [3.2325] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
345
false
277
Ti4 Tl2 W4 C6
data_[Ti4Tl2W4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1079] _cell_length_b [3.1...
0.795033
N/A
N/A
train
original data
P6_3/mmc
2,526
false
2,014
Mn4 Cd2 N2
data_[Mn4Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [2.9305] _cell_length_b [2.9305] _cell_length_c [12.9185] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
4,385
false
3,513
Sc2 Cd2 W2 N2
data_[Sc2Cd2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cd 1.6900 1.5500 1.0900 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 [3.0710] _cell_length_b [3.071...
1
N/A
N/A
train
original data
P6_3mc
4,926
false
3,943
Zr2 Ti4 In2 N4
data_[Zr2Ti4In2N4] 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 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 [3.1466] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,037
false
3,225
Zr4 Sc4 Cd2 C6
data_[Zr4Sc4Cd2C6] 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 [3.3594] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,859
false
2,285
Ta4 Ti4 P2 C6
data_[Ta4Ti4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1700] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,049
false
2,436
Si2 Mo4 C2
data_[Si2Mo4C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1019] _cell_length_b [3.1019] _cell_length_c [12.4150] ...
0.200738
N/A
N/A
train
original data
P6_3/mmc
2,978
false
2,377
Mo4 As2 W2 C4
data_[Mo4As2W2C4] 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 [3.1294] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,282
false
4,230
Hf2 V4 Cd2 C4
data_[Hf2V4Cd2C4] 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 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 [3.1222] _cell_length_b [3.1...
0.797688
N/A
N/A
train
original data
P6_3/mmc
5,912
false
4,732
Al2 V2 Mo2 N2
data_[Al2V2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 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 [2.8793] _cell_length_b [2.879...
1
N/A
N/A
train
original data
P6_3mc
5,413
false
4,333
Mn2 Al2 W2 N2
data_[Mn2Al2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.8661] _cell_length_b [2.866...
0.236842
N/A
N/A
train
original data
P6_3mc
4,331
false
3,466
V2 Cr2 S2 N2
data_[V2Cr2S2N2] 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 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 [3.0891] _cell_length_b [3.0891]...
1
N/A
N/A
validation
original data
P6_3mc
5,625
false
5,537
Hf4 Nb4 C6 S2
data_[Hf4Nb4C6S2] 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 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 [3.2554] _cell_length_b [3.2...
0.79334
N/A
N/A
train
original data
P6_3/mmc
4,077
false
3,255
Ti4 Nb2 As2 N4
data_[Ti4Nb2As2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1625] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
1,123
false
5,075
Ge2 Mo4 N2
data_[Ge2Mo4N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0239] _cell_length_b [3.0239] _cell_length_c [13.2031] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,052
false
2,439
Nb2 Tl2 W2 N2
data_[Nb2Tl2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0340] _cell_length_b [3.034...
1
N/A
N/A
train
original data
P6_3mc
2,673
false
2,135
Ti2 Tl2 Mo4 C4
data_[Ti2Tl2Mo4C4] 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 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 [3.0603] _cell_length_b [3...
0.794664
N/A
N/A
train
original data
P6_3/mmc
566
false
440
Nb2 Tl2 W2 C2
data_[Nb2Tl2W2C2] 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_3mc] _cell_length_a [3.2231] _cell_length_b [3.223...
0.797373
N/A
N/A
train
original data
P6_3mc
2,047
false
1,635
Hf4 Ta2 C4 S2
data_[Hf4Ta2C4S2] 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 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 [3.3370] _cell_length_b [3.3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,102
false
4,087
Mn2 Si2 Mo2 C2
data_[Mn2Si2Mo2C2] 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 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 [2.9793] _cell_length_b [2.9...
0.19983
N/A
N/A
test
original data
P6_3mc
3,801
false
5,958
Ti2 Cr4 Sn2 C4
data_[Ti2Cr4Sn2C4] 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 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 [3.0670] _cell_length_b [3...
0.758945
N/A
N/A
train
original data
P6_3/mmc
2,840
false
2,269
Mn4 P2 W4 C6
data_[Mn4P2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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...
0.221832
N/A
N/A
train
original data
P6_3/mmc
4,231
false
3,388
Ti4 Nb2 As2 C4
data_[Ti4Nb2As2C4] 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 [3.2123] _cell_length_b [3...
0.795183
N/A
N/A
train
original data
P6_3/mmc
2,333
false
1,859
V4 Cr4 C6 S2
data_[V4Cr4C6S2] 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 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9728] _cell_length_b [2.972...
0.759207
N/A
N/A
train
original data
P6_3/mmc
5,359
false
4,289
Zr4 Mn4 Ge2 N6
data_[Zr4Mn4Ge2N6] 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_3/mmc] _cell_length_a [3.2319] _cell_length_b [3...
0.246937
N/A
N/A
test
original data
P6_3/mmc
182
false
5,610
Zr2 Sc2 Tl2 N2
data_[Zr2Sc2Tl2N2] 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 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 [3.3091] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
3,099
false
2,476
Mn4 V2 Pb2 C4
data_[Mn4V2Pb2C4] 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 [3.0706] _cell_length_b [3.0...
0.207633
N/A
N/A
train
original data
P6_3/mmc
2,196
false
1,751
Zr4 Al2 V2 N4
data_[Zr4Al2V2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1235] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,153
false
3,322
P2 W8 C6
data_[P2W8C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1015] _cell_length_b [3.1015] _cell_length_c [22.0897] _cel...
0.201908
N/A
N/A
train
original data
P6_3/mmc
2,877
false
2,298
Nb2 Cr4 In2 N4
data_[Nb2Cr4In2N4] 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 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 [3.0843] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,939
false
2,347
Zr4 Al2 W4 N6
data_[Zr4Al2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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_3/mmc] _cell_length_a [3.1753] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,411
false
2,731
Zr2 V4 S2 N4
data_[Zr2V4S2N4] 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 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 [3.1319] _cell_length_b [3.131...
1
N/A
N/A
train
original data
P6_3/mmc
1,497
false
1,187
Zr4 Mn2 P2 N4
data_[Zr4Mn2P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2810] _cell_length_b [3.2...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,086
false
2,466
Cd2 Mo2 W2 C2
data_[Cd2Mo2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 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 [3.0553] _cell_length_b [3.055...
0.792398
N/A
N/A
train
original data
P6_3mc
5,207
false
4,169
Ta2 Al2 V2 C2
data_[Ta2Al2V2C2] 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 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0165] _cell_length_b [3.016...
0.798068
N/A
N/A
train
original data
P6_3mc
5,592
false
4,479
Al2 V4 W4 N6
data_[Al2V4W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 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 [2.8191] _cell_length_b [2.819...
1
N/A
N/A
train
original data
P6_3/mmc
1,766
false
1,403
Ta2 V4 Si2 N4
data_[Ta2V4Si2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0138] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,297
false
3,443
Zr4 Ga2 Mo4 N6
data_[Zr4Ga2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.2263] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
1,382
false
5,734
Nb2 Ga2 W2 C2
data_[Nb2Ga2W2C2] 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 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 [3.1102] _cell_length_b [3.110...
0.792398
N/A
N/A
train
original data
P6_3mc
1,763
false
1,400
Cr2 In2 W2 C2
data_[Cr2In2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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_3mc] _cell_length_a [3.0605] _cell_length_b [3.060...
0.758609
N/A
N/A
train
original data
P6_3mc
1,504
false
1,193
Hf4 Ti4 As2 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...
1
N/A
N/A
validation
original data
P6_3/mmc
892
false
5,049
Ti2 Mn2 Ge2 C2
data_[Ti2Mn2Ge2C2] 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 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 [3.0391] _cell_length_b [3.0...
0.222547
N/A
N/A
train
original data
P6_3mc
1,536
false
1,219
Zr2 Ta2 Cd2 N2
data_[Zr2Ta2Cd2N2] 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 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 [3.1989] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
1,654
false
1,316
Zr2 Sc2 P2 N2
data_[Zr2Sc2P2N2] 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 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 [3.3876] _cell_length_b [3.387...
1
N/A
N/A
test
original data
P6_3mc
2,109
false
5,802
Hf2 Nb2 In2 N2
data_[Hf2Nb2In2N2] 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 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 [3.2198] _cell_length_b [3.2...
1
N/A
N/A
test
original data
P6_3mc
240
false
5,613
Ta4 As2 W4 N6
data_[Ta4As2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [3.0917] _cell_length_b [3.0...
0.994675
N/A
N/A
validation
original data
P6_3/mmc
922
false
5,054
Hf4 Cr4 In2 C6
data_[Hf4Cr4In2C6] 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 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 [3.1847] _cell_length_b [3...
0.76084
N/A
N/A
train
original data
P6_3/mmc
1,115
false
885
Ta4 Nb2 As2 N4
data_[Ta4Nb2As2N4] 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 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 [3.1928] _cell_length_b [3...
0.990574
N/A
N/A
test
original data
P6_3/mmc
2,576
false
5,846
Ti4 Nb2 Al2 N4
data_[Ti4Nb2Al2N4] 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 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 [3.0310] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,004
false
2,396
Mn6 As2 C4
data_[Mn6As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9758] _cell_length_b [2.9758] _cell_length_c [15.6523] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
5,970
false
4,777
Sc2 Cd2 Mo4 N4
data_[Sc2Cd2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0051] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
5,637
false
5,538
Mn4 Cr4 As2 C6
data_[Mn4Cr4As2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9419] _cell_length_b [2...
0.168729
N/A
N/A
train
original data
P6_3/mmc
3,845
false
3,074
Sc4 Tl2 N2
data_[Sc4Tl2N2] 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 [3.2833] _cell_length_b [3.2833] _cell_length_c [14.8660] ...
0.238557
N/A
N/A
test
original data
P6_3/mmc
4,682
false
6,036
Ta4 Si2 Mo2 N4
data_[Ta4Si2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 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 [2.9952] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
1,037
false
825
Mn2 Ge2 W2 N2
data_[Mn2Ge2W2N2] 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 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 [3.0247] _cell_length_b [3.024...
0.264127
N/A
N/A
train
original data
P6_3mc
4,849
false
3,882
Ta4 Cr4 As2 N6
data_[Ta4Cr4As2N6] 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 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 [3.0203] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,257
false
1,794
Ta4 In2 Mo4 C6
data_[Ta4In2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 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 [3.1469] _cell_length_b [3...
0.796771
N/A
N/A
train
original data
P6_3/mmc
267
false
210
Zr4 Sc4 Si2 C6
data_[Zr4Sc4Si2C6] 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 [3.3067] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,891
false
1,504
Sc2 Ti2 Cd2 C2
data_[Sc2Ti2Cd2C2] 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 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 [3.1853] _cell_length_b [3.1...
0.795895
N/A
N/A
train
original data
P6_3mc
3,036
false
2,425
Ta4 Cr2 In2 N4
data_[Ta4Cr2In2N4] 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 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 [3.0193] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,270
false
3,420
Nb4 Cr2 In2 N4
data_[Nb4Cr2In2N4] 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 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 [3.0359] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,521
false
2,814
Cr4B6
data_[Cr8B12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.0264] _cell_length_b [18.1150] _cell_length_c [2.9542] _cell_angle_alpha [90.0000] _cell_a...
0.546611
N/A
null
train
synthetic, MP or NOMAD
Cmcm
117
true
4,879
Mo8 Pb2 C6
data_[Mo8Pb2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1828] _cell_length_b [3.1828] _cell_length_c [24.1050] ...
0.231996
N/A
N/A
validation
original data
P6_3/mmc
4,157
false
5,393
Nb2 Cr2 Pb2 N2
data_[Nb2Cr2Pb2N2] 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 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 [3.1663] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
4,236
false
3,392
Ta2 Ti2 Sn2 C2
data_[Ta2Ti2Sn2C2] 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 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 [3.1854] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3mc
4,907
false
3,928
V4 Cr4 Cd2 C6
data_[V4Cr4Cd2C6] 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 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 [2.9161] _cell_length_b [2.9...
0.76237
N/A
N/A
train
original data
P6_3/mmc
2,808
false
2,241
Hf4 Tl2 W4 N6
data_[Hf4Tl2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2358] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
827
false
653
Nb2 Mo4 As2 C4
data_[Nb2Mo4As2C4] 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 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 [3.1444] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,252
false
4,207
Hf2 Nb2 Ga2 C2
data_[Hf2Nb2Ga2C2] 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 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 [3.1928] _cell_length_b [3.1...
0.793117
N/A
N/A
train
original data
P6_3mc
2,815
false
2,248
Sc4 Ti2 In2 C4
data_[Sc4Ti2In2C4] 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 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 [3.2251] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,636
false
1,302
Hf2 V2 Ge2 N2
data_[Hf2V2Ge2N2] 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 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 [3.1753] _cell_length_b [3.175...
1
N/A
N/A
test
original data
P6_3mc
2,638
false
5,850
Mn2 Cr2 As2 C2
data_[Mn2Cr2As2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0159] _cell_length_b [3.0...
0.172163
N/A
N/A
train
original data
P6_3mc
1,619
false
1,287
Mn8 Si2 N6
data_[Mn8Si2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.7024] _cell_length_b [2.7024] _cell_length_c [22.3951] ...
0.000002
N/A
N/A
validation
original data
P6_3/mmc
4,261
false
5,401
Ta2 Cd2 W4 C4
data_[Ta2Cd2W4C4] 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 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 [3.0606] _cell_length_b [3.0...
0.79462
N/A
N/A
train
original data
P6_3/mmc
1,527
false
1,211
Zr4 Ti4 S2 N6
data_[Zr4Ti4S2N6] 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 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 [3.1591] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,591
false
3,683
V4 Ga2 C2
data_[V4Ga2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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_3/mmc] _cell_length_a [2.9355] _cell_length_b [2.9355] _cell_length_c [12.8373] _c...
0.19983
N/A
N/A
train
original data
P6_3/mmc
2,614
false
2,086
Ta2 Nb2 Si2 N2
data_[Ta2Nb2Si2N2] 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 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 [3.2211] _cell_length_b [3.2...
0.988695
N/A
N/A
test
original data
P6_3mc
807
false
5,677
Mn4 Cr4 Pb2 C6
data_[Mn4Cr4Pb2C6] 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 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 [3.0329] _cell_length_b [3...
0.177205
N/A
N/A
test
original data
P6_3/mmc
1,022
false
5,697
Cr4 Ge2 W4 N6
data_[Cr4Ge2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 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 [2.9245] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
740
false
586
Zr2 Ta2 Tl2 C2
data_[Zr2Ta2Tl2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2540] _cell_length_b [3.2...
0.794067
N/A
N/A
test
original data
P6_3mc
3,515
false
5,933
Tl2 Cr2 W4 N4
data_[Tl2Cr2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 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 [2.8961] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
5,837
false
4,670
Sc2 Cd2 W2 C2
data_[Sc2Cd2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cd 1.6900 1.5500 1.0900 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 [3.0992] _cell_length_b [3.099...
0.796535
N/A
N/A
train
original data
P6_3mc
2,039
false
1,629
V2 Cr2 Sn2 C2
data_[V2Cr2Sn2C2] 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 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 [3.0617] _cell_length_b [3.061...
0.76312
N/A
N/A
train
original data
P6_3mc
4,152
false
3,321
Sc2 Al2 Mo2 N2
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...
1
N/A
N/A
validation
original data
P6_3mc
376
false
4,997