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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3.16k
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float64
0
1
Database
stringclasses
1 value
Reduced Formula
stringclasses
1 value
split
stringclasses
3 values
source
stringclasses
2 values
space_group
stringclasses
15 values
Material ID
int64
0
6.01k
contains_Boron
bool
2 classes
__index_level_0__
int64
0
6.18k
Sc2 Ti4 Sn2 N4
data_[Sc2Ti4Sn2N4] 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 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 [3.1342] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,243
false
3,399
Cr6 Cd2 C4
data_[Cr6Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.8996] _cell_length_b [2.8996] _cell_length_c [18.3163] ...
0.178311
N/A
N/A
train
original data
P6_3/mmc
4,781
false
3,829
Mn2 V4 Si2 C4
data_[Mn2V4Si2C4] 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 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 [2.9279] _cell_length_b [2.9...
0.19983
N/A
N/A
train
original data
P6_3/mmc
208
false
165
V4 Ga2 W2 N4
data_[V4Ga2W2N4] 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 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 [2.8349] _cell_length_b [2.834...
1
N/A
N/A
train
original data
P6_3/mmc
5,168
false
4,141
Cr2 Cd2 Mo2 N2
data_[Cr2Cd2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0172] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3mc
4,334
false
3,469
V2 Mo4 C4 S2
data_[V2Mo4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.0502] _cell_length_b [3.050...
0.797288
N/A
N/A
train
original data
P6_3/mmc
4,217
false
3,376
Sc4 Nb4 Si2 N6
data_[Sc4Nb4Si2N6] 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 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 [3.1373] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
390
false
5,629
Sc2 Ge2 Mo2 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...
1
N/A
N/A
train
original data
P6_3mc
2,725
false
2,179
Cr8 P2 N6
data_[Cr8P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8421] _cell_length_b [2.8421] _cell_length_c [20.9982] _c...
0.30569
N/A
N/A
validation
original data
P6_3/mmc
4,995
false
5,478
Hf4 Nb2 Pb2 N4
data_[Hf4Nb2Pb2N4] 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 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 [3.2393] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,599
false
4,485
Sc2 Ta4 P2 N4
data_[Sc2Ta4P2N4] 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 [3.1534] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,072
false
3,250
Mo4 W2 C4 S2
data_[Mo4W2C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [3.1230] _cell_length_b [3.123...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,041
false
4,034
Hf2 Mn2 Ga2 N2
data_[Hf2Mn2Ga2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 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 [3.0774] _cell_length_b [3.0...
0.24753
N/A
N/A
train
original data
P6_3mc
4,150
false
3,319
Hf4 V4 Sn2 N6
data_[Hf4V4Sn2N6] 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 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 [3.1041] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,331
false
1,857
Ti4 Nb4 Tl2 N6
data_[Ti4Nb4Tl2N6] 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 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 [3.1259] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
565
false
439
Ge2 W4 N2
data_[Ge2W4N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.8974] _cell_length_b [2.8974] _cell_length_c [14.2403] _c...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,699
false
2,962
Mn4 As2 W4 C6
data_[Mn4As2W4C6] 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 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 [3.0156] _cell_length_b [3.0...
0.221295
N/A
N/A
train
original data
P6_3/mmc
1,744
false
1,385
Ti4 P2 N2
data_[Ti4P2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1406] _cell_length_b [3.1406] _cell_length_c [11.3715] _c...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
1,122
false
5,074
Sc2 Cr2 Ga2 N2
data_[Sc2Cr2Ga2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9882] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3mc
949
false
755
Hf4 V2 In2 N4
data_[Hf4V2In2N4] 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 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 [3.1932] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,130
false
1,698
Mn2 V4 P2 N4
data_[Mn2V4P2N4] 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 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 [2.9571] _cell_length_b [2.957...
0.294917
N/A
N/A
validation
original data
P6_3/mmc
1,311
false
5,097
Sc2Nb2B6
data_[Sc4Nb4B12] 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 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.4277] _cell_length_b [19.7091] _cell_length_c [3.1347] _ce...
0.531578
N/A
null
train
synthetic, MP or NOMAD
Cmcm
63
true
4,839
Mo8 As2 C6
data_[Mo8As2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1473] _cell_length_b [3.1473] _cell_length_c [22.4832] ...
0.204149
N/A
N/A
train
original data
P6_3/mmc
3,333
false
2,671
Mn4 Cr4 Cd2 N6
data_[Mn4Cr4Cd2N6] 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 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 [2.9447] _cell_length_b [2...
0.236842
N/A
N/A
test
original data
P6_3/mmc
5,578
false
6,133
Ti4 V2 Sn2 C4
data_[Ti4V2Sn2C4] 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 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 [3.1046] _cell_length_b [3.1...
0.797851
N/A
N/A
test
original data
P6_3/mmc
1,101
false
5,708
V2 P2 W2 C2
data_[V2P2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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_3mc] _cell_length_a [3.1377] _cell_length_b [3.1377] _...
0.796287
N/A
N/A
train
original data
P6_3mc
356
false
287
Sc4 Mn2 As2 C4
data_[Sc4Mn2As2C4] 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 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 [3.1488] _cell_length_b [3...
0.223241
N/A
N/A
train
original data
P6_3/mmc
3,429
false
2,747
Sc8 Ge2 C6
data_[Sc8Ge2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2925] _cell_length_b [3.2925] _cell_length_c [25.2814] ...
0.20902
N/A
N/A
train
original data
P6_3/mmc
4,697
false
3,762
Sc4 V4 Ga2 C6
data_[Sc4V4Ga2C6] 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 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 [3.1150] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,427
false
3,549
Sc4 Mn2 Pb2 C4
data_[Sc4Mn2Pb2C4] 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 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 [3.2059] _cell_length_b [3...
0.205759
N/A
N/A
train
original data
P6_3/mmc
5,470
false
4,380
V4 In2 N2
data_[V4In2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0269] _cell_length_b [3.0269] _cell_length_c [13.3630] _c...
0.251778
N/A
N/A
train
original data
P6_3/mmc
2,316
false
1,846
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...
1
N/A
N/A
train
original data
P6_3/mmc
37
false
30
Zr4 Ti2 Cd2 N4
data_[Zr4Ti2Cd2N4] 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_3/mmc] _cell_length_a [3.2349] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,924
false
1,532
Ta2 Ti4 Pb2 C4
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...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
2,524
false
5,224
Zr2 V4 Cd2 C4
data_[Zr2V4Cd2C4] 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 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 [3.1289] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,419
false
4,339
Ta4 V4 Pb2 C6
data_[Ta4V4Pb2C6] 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 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 [3.0881] _cell_length_b [3.0...
0.797161
N/A
N/A
train
original data
P6_3/mmc
3,516
false
2,809
Zr4 Ti4 C6 S2
data_[Zr4Ti4C6S2] 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 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 [3.2647] _cell_length_b [3.2...
0.787392
N/A
N/A
train
original data
P6_3/mmc
3,057
false
2,443
Zr2 As2 W4 C4
data_[Zr2As2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.1928] _cell_length_b [3.1...
0.795272
N/A
N/A
train
original data
P6_3/mmc
4,466
false
3,579
Ti4 V4 Cd2 N6
data_[Ti4V4Cd2N6] 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 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 [2.9865] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
2,787
false
2,228
Mo2 W2 S2 N2
data_[Mo2W2S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [2.9670] _cell_length_b [2.9670]...
1
N/A
N/A
validation
original data
P6_3mc
3,783
false
5,352
Ta2 W2 C2 S2
data_[Ta2W2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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_3mc] _cell_length_a [3.2870] _cell_length_b [3.2870]...
0.792398
N/A
N/A
train
original data
P6_3mc
599
false
467
Nb2 Al2 Mo2 C2
data_[Nb2Al2Mo2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0759] _cell_length_b [3.0...
0.797134
N/A
N/A
train
original data
P6_3mc
3,987
false
3,184
Zr6 Al2 C4
data_[Zr6Al2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3350] _cell_length_b [3.3350] _cell_length_c [19.9621] ...
0.22134
N/A
N/A
train
original data
P6_3/mmc
5,628
false
4,506
Hf4 V2 Cd2 N4
data_[Hf4V2Cd2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2047] _cell_length_b [3.2...
1
N/A
N/A
validation
original data
P6_3/mmc
737
false
5,036
Mn6 In2 N4
data_[Mn6In2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9866] _cell_length_b [2.9866] _cell_length_c [16.7314] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
4,661
false
3,735
Hf4 Zr4 As2 N6
data_[Hf4Zr4As2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3134] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,896
false
2,312
Ti4 Ge2 W4 C6
data_[Ti4Ge2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0923] _cell_length_b [3.0...
0.793417
N/A
N/A
test
original data
P6_3/mmc
2,733
false
5,855
Hf4 V2 P2 C4
data_[Hf4V2P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2738] _cell_length_b [3.273...
0.795676
N/A
N/A
train
original data
P6_3/mmc
3,844
false
3,073
Hf2 Ta4 Ge2 C4
data_[Hf2Ta4Ge2C4] 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_3/mmc] _cell_length_a [3.2205] _cell_length_b [3...
0.795285
N/A
N/A
train
original data
P6_3/mmc
1,408
false
1,117
Ti2 Sn2 Mo2 C2
data_[Ti2Sn2Mo2C2] 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_3mc] _cell_length_a [3.1954] _cell_length_b [3.1...
0.793923
N/A
N/A
train
original data
P6_3mc
2,858
false
2,284
Ti2 Sn2 W4 C4
data_[Ti2Sn2W4C4] 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 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 [3.0984] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,999
false
3,195
Zr4 Mo2 P2 N4
data_[Zr4Mo2P2N4] 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 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 [3.3967] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3/mmc
1,663
false
1,323
Nb4 Ga2 Mo4 N6
data_[Nb4Ga2Mo4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9260] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
1,010
false
808
Ti4 Mn4 Tl2 C6
data_[Ti4Mn4Tl2C6] 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 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 [3.0524] _cell_length_b [3...
0.201942
N/A
N/A
train
original data
P6_3/mmc
5,412
false
4,332
Ta2 Cr4 In2 N4
data_[Ta2Cr4In2N4] 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 [3.0855] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,997
false
1,594
Mn4 Nb4 Pb2 C6
data_[Mn4Nb4Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1251] _cell_length_b [3...
0.219126
N/A
N/A
train
original data
P6_3/mmc
5,786
false
4,634
Ti6 Tl2 C4
data_[Ti6Tl2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1447] _cell_length_b [3.1447] _cell_length_c [19.1651] ...
0.217548
N/A
N/A
train
original data
P6_3/mmc
4,573
false
3,668
Mn4 Sn2 Mo2 C4
data_[Mn4Sn2Mo2C4] 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 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 [3.0849] _cell_length_b [3...
0.201578
N/A
N/A
validation
original data
P6_3/mmc
891
false
5,048
Tl2 Mo4 W2 N4
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...
1
N/A
N/A
train
original data
P6_3/mmc
3,361
false
2,694
Zr2 Ta4 Ge2 N4
data_[Zr2Ta4Ge2N4] 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 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 [3.1741] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,018
false
4,016
Hf8 Ga2 C6
data_[Hf8Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2996] _cell_length_b [3.2996] _cell_length_c [24.6183] ...
0.217561
N/A
N/A
test
original data
P6_3/mmc
5,818
false
6,162
Nb4 Cd2 N2
data_[Nb4Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1663] _cell_length_b [3.1663] _cell_length_c [14.4085] ...
0.307412
N/A
N/A
validation
original data
P6_3/mmc
1,779
false
5,145
Ta4 Tl2 Cr4 C6
data_[Ta4Tl2Cr4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0554] _cell_length_b [3...
0.76606
N/A
N/A
train
original data
P6_3/mmc
5,316
false
4,257
Cr6 Ga2 N4
data_[Cr6Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8935] _cell_length_b [2.8935] _cell_length_c [16.8966] ...
0.262465
N/A
N/A
test
original data
P6_3/mmc
661
false
5,662
Sc4 Mn2 Sn2 C4
data_[Sc4Mn2Sn2C4] 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 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 [3.1705] _cell_length_b [3...
0.234567
N/A
N/A
train
original data
P6_3/mmc
5,981
false
4,785
Ti4 Cr4 Ga2 C6
data_[Ti4Cr4Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9584] _cell_length_b [2...
0.767908
N/A
N/A
train
original data
P6_3/mmc
362
false
292
Nb4 Cr2 As2 C4
data_[Nb4Cr2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1899] _cell_length_b [3...
0.760347
N/A
N/A
test
original data
P6_3/mmc
2,020
false
5,792
Sc2 V2 Pb2 C2
data_[Sc2V2Pb2C2] 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 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 [3.2396] _cell_length_b [3.239...
0.796911
N/A
N/A
train
original data
P6_3mc
275
false
214
Nb6 Cd2 N4
data_[Nb6Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1141] _cell_length_b [3.1141] _cell_length_c [19.9142] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,606
false
2,079
V4 Cd2 Mo2 N4
data_[V4Cd2Mo2N4] 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 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 [2.9928] _cell_length_b [2.9...
1
N/A
N/A
validation
original data
P6_3/mmc
5,730
false
5,545
Ta12B12Ru12
data_[Ta12B12Ru12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 B 2.0400 0.8500 0.4100 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [8.9815] _cell_length_b [15.6100] _cell_length_c [3.1074] _...
0.523629
N/A
null
train
synthetic, MP or NOMAD
Pbam
40
true
4,826
Hf2 Zr2 Ge2 N2
data_[Hf2Zr2Ge2N2] 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_3mc] _cell_length_a [3.2611] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
3,204
false
2,561
Ta2 Sn2 Mo4 C4
data_[Ta2Sn2Mo4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1517] _cell_length_b [3...
0.79722
N/A
N/A
validation
original data
P6_3/mmc
5,868
false
5,559
Zr2 V2 P2 C2
data_[Zr2V2P2C2] 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 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 [3.2447] _cell_length_b [3.2447]...
0.793912
N/A
N/A
train
original data
P6_3mc
2,070
false
1,655
V4 Sn2 Mo2 N4
data_[V4Sn2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1214] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,035
false
1,625
Mn2 Sn2 W4 N4
data_[Mn2Sn2W4N4] 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 [2.9414] _cell_length_b [2.9...
0.307412
N/A
N/A
train
original data
P6_3/mmc
190
false
152
Cr6 Sn2 N4
data_[Cr6Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0184] _cell_length_b [3.0184] _cell_length_c [17.5016] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
2,228
false
1,774
Zr2 Ga2 W4 N4
data_[Zr2Ga2W4N4] 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 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 [3.0984] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
1,590
false
1,263
Sc2 Mn4 In2 C4
data_[Sc2Mn4In2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0736] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,024
false
3,216
Sc2 Mo2 C2 S2
data_[Sc2Mo2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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_3mc] _cell_length_a [3.2803] _cell_length_b [3.280...
0.798068
N/A
N/A
validation
original data
P6_3mc
3,513
false
5,324
Sc2 Nb4 Ge2 N4
data_[Sc2Nb4Ge2N4] 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 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 [3.0817] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
838
false
663
Mn2 Si2 W4 N4
data_[Mn2Si2W4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8138] _cell_length_b [2.8...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,854
false
4,683
Hf2 Nb2 Pb2 N2
data_[Hf2Nb2Pb2N2] 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 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 [3.3618] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
959
false
764
Mn4 V2 Sn2 C4
data_[Mn4V2Sn2C4] 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 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 [3.0137] _cell_length_b [3.0...
0.19983
N/A
N/A
validation
original data
P6_3/mmc
5,943
false
5,564
Mn4 Mo4 C6 S2
data_[Mn4Mo4C6S2] 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 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 [3.0015] _cell_length_b [3.0...
0.219844
N/A
N/A
train
original data
P6_3/mmc
483
false
382
Sc4 Mo2 P2 N4
data_[Sc4Mo2P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2146] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
4,529
false
3,632
Mn8 As2 N6
data_[Mn8As2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9349] _cell_length_b [2.9349] _cell_length_c [20.2335] ...
0.000001
N/A
N/A
validation
original data
P6_3/mmc
3,779
false
5,351
Nb2 Ge2 W4 C4
data_[Nb2Ge2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1234] _cell_length_b [3.1...
0.795702
N/A
N/A
train
original data
P6_3/mmc
1,804
false
1,435
As2 W6 C4
data_[As2W6C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1283] _cell_length_b [3.1283] _cell_length_c [17.5944] _c...
0.19983
N/A
N/A
train
original data
P6_3/mmc
3,782
false
3,026
Hf2 Si2 Mo4 N4
data_[Hf2Si2Mo4N4] 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 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 [3.1342] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
4,067
false
5,984
Nb2 Cr2 In2 C2
data_[Nb2Cr2In2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0957] _cell_length_b [3.0...
0.757396
N/A
N/A
train
original data
P6_3mc
4,362
false
3,492
Mn2 Al2 Mo4 N4
data_[Mn2Al2Mo4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8307] _cell_length_b [2...
0.254996
N/A
N/A
train
original data
P6_3/mmc
5,954
false
4,767
V6 Sn2 C4
data_[V6Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0337] _cell_length_b [3.0337] _cell_length_c [18.0172] _c...
0.224753
N/A
N/A
train
original data
P6_3/mmc
1,210
false
956
Sc4 Nb2 Tl2 C4
data_[Sc4Nb2Tl2C4] 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 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 [3.2605] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,935
false
4,751
Ti2 Ga2 W2 N2
data_[Ti2Ga2W2N2] 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_3mc] _cell_length_a [3.0217] _cell_length_b [3.021...
1
N/A
N/A
train
original data
P6_3mc
360
false
290
Sc4 Al2 Cr4 C6
data_[Sc4Al2Cr4C6] 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 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0683] _cell_length_b [3...
0.762677
N/A
N/A
train
original data
P6_3/mmc
4,521
false
3,627
Zr2 P2 W2 N2
data_[Zr2P2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 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 [3.3194] _cell_length_b [3.3194]...
1
N/A
N/A
validation
original data
P6_3mc
197
false
4,981
Hf2 Ti2 S2 N2
data_[Hf2Ti2S2N2] 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 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 [3.2868] _cell_length_b [3.286...
1
N/A
N/A
test
original data
P6_3mc
5,338
false
6,109
Ta2 V2 Ga2 N2
data_[Ta2V2Ga2N2] 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 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 [3.0270] _cell_length_b [3.027...
1
N/A
N/A
train
original data
P6_3mc
921
false
734
Zr4 Ta2 Sn2 C4
data_[Zr4Ta2Sn2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2969] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,417
false
2,737