Datasets:
Jamie1701
/
spliced_dataset_split

Dataset card Data Studio Files
xet
 Community
1
pretty_formula
stringlengths
4
14
CIF
stringlengths
825
3.16k
matches_count_scaled
float64
0
1
Database
stringclasses
1 value
Reduced Formula
stringclasses
1 value
split
stringclasses
3 values
source
stringclasses
2 values
space_group
stringclasses
15 values
Material ID
int64
0
6.01k
contains_Boron
bool
2 classes
__index_level_0__
int64
0
6.18k
Mn6 Cd2 N4
data_[Mn6Cd2N4] 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 [2.9602] _cell_length_b [2.9602] _cell_length_c [16.9633] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
4,162
false
3,329
Cr4 Mo2 P2 C4
data_[Cr4Mo2P2C4] 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 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 [3.0999] _cell_length_b [3.0...
0.766013
N/A
N/A
train
original data
P6_3/mmc
2,818
false
2,251
Nb4 As2 W2 N4
data_[Nb4As2W2N4] 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 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 [3.2126] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
5,067
false
4,057
Nb4 Ga2 Mo2 N4
data_[Nb4Ga2Mo2N4] 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 [2.9555] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
1,724
false
1,369
V4 Si2 Mo4 N6
data_[V4Si2Mo4N6] 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 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 [2.9451] _cell_length_b [2.9...
1
N/A
N/A
test
original data
P6_3/mmc
4,123
false
5,988
Hf2 Ti2 Si2 N2
data_[Hf2Ti2Si2N2] 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 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 [3.0922] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3mc
1,921
false
1,529
Hf4 Sc2 Cd2 N4
data_[Hf4Sc2Cd2N4] 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 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 [3.2402] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
5,378
false
5,509
Sc2 Ta2 In2 C2
data_[Sc2Ta2In2C2] 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 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 [3.2381] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3mc
1,260
false
997
Ta8 Tl2 C6
data_[Ta8Tl2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1657] _cell_length_b [3.1657] _cell_length_c [25.1249] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
2,792
false
2,230
Ta4 Ti2 Ge2 C4
data_[Ta4Ti2Ge2C4] 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 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 [3.1526] _cell_length_b [3...
0.79366
N/A
N/A
train
original data
P6_3/mmc
5,515
false
4,419
Sc2 V4 In2 C4
data_[Sc2V4In2C4] 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 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 [3.0945] _cell_length_b [3.0...
0.792762
N/A
N/A
train
original data
P6_3/mmc
4,683
false
3,750
Cd2 Mo4 W2 N4
data_[Cd2Mo4W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8442] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
206
false
163
Hf2 Mn4 Tl2 C4
data_[Hf2Mn4Tl2C4] 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 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 [3.1264] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,940
false
4,756
Ti2 Mn4 Cd2 N4
data_[Ti2Mn4Cd2N4] 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 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 [2.9405] _cell_length_b [2...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,446
false
4,361
Hf2 V2 C2 S2
data_[Hf2V2C2S2] 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 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 [3.2664] _cell_length_b [3.2664]...
0.795117
N/A
N/A
train
original data
P6_3mc
1,264
false
1,001
Mn2 Cr2 In2 N2
data_[Mn2Cr2In2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9885] _cell_length_b [2.9...
0.243407
N/A
N/A
train
original data
P6_3mc
1,032
false
820
Hf4 Ti2 Ga2 N4
data_[Hf4Ti2Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1325] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,225
false
3,382
Nb4 Mo2 Pb2 C4
data_[Nb4Mo2Pb2C4] 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 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 [3.2108] _cell_length_b [3...
0.796051
N/A
N/A
train
original data
P6_3/mmc
3,540
false
2,831
Ti4 Nb2 Tl2 C4
data_[Ti4Nb2Tl2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1926] _cell_length_b [3...
0.797607
N/A
N/A
train
original data
P6_3/mmc
3,162
false
2,528
Ta2 Cr4 Pb2 C4
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...
0.758583
N/A
N/A
train
original data
P6_3/mmc
2,198
false
1,752
V4 Ge2 W2 C4
data_[V4Ge2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 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 [3.0289] _cell_length_b [3.028...
0.797945
N/A
N/A
train
original data
P6_3/mmc
763
false
605
Ti8 Ga2 N6
data_[Ti8Ga2N6] 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 [2.9974] _cell_length_b [2.9974] _cell_length_c [23.2426] ...
0.277965
N/A
N/A
train
original data
P6_3/mmc
3,780
false
3,024
Hf2 Ti4 C4 S2
data_[Hf2Ti4C4S2] 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 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 [3.2403] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,476
false
4,386
In2 W8 C6
data_[In2W8C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1573] _cell_length_b [3.1573] _cell_length_c [23.8225] _c...
0.205134
N/A
N/A
train
original data
P6_3/mmc
5,734
false
4,594
Zr2 Nb4 Tl2 C4
data_[Zr2Nb4Tl2C4] 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 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 [3.2465] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,519
false
3,626
Cr4 As2 W4 N6
data_[Cr4As2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [2.9604] _cell_length_b [2.9...
1
N/A
N/A
test
original data
P6_3/mmc
4,301
false
6,002
Zr4 Cr4 In2 N6
data_[Zr4Cr4In2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 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 [3.1005] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
591
false
460
Hf4 As2 W2 N4
data_[Hf4As2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3858] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3/mmc
3,171
false
2,536
Ta2 Mo2 Pb2 N2
data_[Ta2Mo2Pb2N2] 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 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 [3.3629] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
3,669
false
2,937
Sc2 Mn4 P2 N4
data_[Sc2Mn4P2N4] 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 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 [3.1090] _cell_length_b [3.1...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,835
false
4,669
Sc4 Cr2 P2 N4
data_[Sc4Cr2P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1136] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
5,979
false
4,783
Sc4 In2 W2 C4
data_[Sc4In2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2101] _cell_length_b [3.2...
0.797188
N/A
N/A
train
original data
P6_3/mmc
1,897
false
1,509
Nb2 As2 W2 N2
data_[Nb2As2W2N2] 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 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 [3.0956] _cell_length_b [3.095...
1
N/A
N/A
test
original data
P6_3mc
34
false
5,596
Ti4 Mn2 Cd2 C4
data_[Ti4Mn2Cd2C4] 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 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 [3.0688] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
2,386
false
1,904
Nb4 Pb2 N2
data_[Nb4Pb2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3051] _cell_length_b [3.3051] _cell_length_c [13.8759] ...
0.255401
N/A
N/A
train
original data
P6_3/mmc
2,607
false
2,080
Sc8 In2 C6
data_[Sc8In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3176] _cell_length_b [3.3176] _cell_length_c [26.8478] ...
0.209637
N/A
N/A
train
original data
P6_3/mmc
3,948
false
3,155
Zr4 Mn4 Ge2 C6
data_[Zr4Mn4Ge2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1496] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,309
false
3,452
Cr2 Mo4 P2 C4
data_[Cr2Mo4P2C4] 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 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 [3.0329] _cell_length_b [3.0...
0.755117
N/A
N/A
train
original data
P6_3/mmc
4,720
false
3,781
Sc2 Mn2 Cd2 N2
data_[Sc2Mn2Cd2N2] 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 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 [3.0354] _cell_length_b [3.0...
0.236842
N/A
N/A
train
original data
P6_3mc
2,936
false
2,345
Cr4 Ge2 Mo4 C6
data_[Cr4Ge2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0469] _cell_length_b [3...
0.755117
N/A
N/A
validation
original data
P6_3/mmc
389
false
5,001
Ta2 Ti4 In2 N4
data_[Ta2Ti4In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0853] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,592
false
3,684
Tl2 V4 Cr4 C6
data_[Tl2V4Cr4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 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 [2.9629] _cell_length_b [2.9...
0.771998
N/A
N/A
train
original data
P6_3/mmc
5,686
false
4,555
Nb4 V2 In2 C4
data_[Nb4V2In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0995] _cell_length_b [3.0...
0.797757
N/A
N/A
train
original data
P6_3/mmc
3,850
false
3,078
Ti4 Ge2 Mo2 C4
data_[Ti4Ge2Mo2C4] 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 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 [3.1128] _cell_length_b [3...
0.79356
N/A
N/A
train
original data
P6_3/mmc
2,774
false
2,219
Sc6 Ga2 N4
data_[Sc6Ga2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1993] _cell_length_b [3.1993] _cell_length_c [19.3879] ...
0.30083
N/A
N/A
train
original data
P6_3/mmc
2,695
false
2,154
Mn2 Tl2 W4 N4
data_[Mn2Tl2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [2.9058] _cell_length_b [2.9...
0.29575
N/A
N/A
test
original data
P6_3/mmc
3,352
false
5,916
Sc4 Mn2 In2 C4
data_[Sc4Mn2In2C4] 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 [3.1493] _cell_length_b [3...
0.221672
N/A
N/A
train
original data
P6_3/mmc
5,320
false
4,260
Mn4 Nb2 Sn2 C4
data_[Mn4Nb2Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0970] _cell_length_b [3...
0.200985
N/A
N/A
train
original data
P6_3/mmc
4,303
false
3,448
Zr2 Ta2 In2 C2
data_[Zr2Ta2In2C2] 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 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 [3.2349] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3mc
1,625
false
1,292
Ti4 Tl2 C2
data_[Ti4Tl2C2] 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 [3.1701] _cell_length_b [3.1701] _cell_length_c [14.2210] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,869
false
4,697
Zr2 Ta2 Al2 C2
data_[Zr2Ta2Al2C2] 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 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1870] _cell_length_b [3.1...
0.794786
N/A
N/A
train
original data
P6_3mc
1,903
false
1,515
Zr4 Al2 Cr2 C4
data_[Zr4Al2Cr2C4] 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 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 [3.1865] _cell_length_b [3...
0.758285
N/A
N/A
train
original data
P6_3/mmc
1,359
false
1,078
Hf2 Mn4 P2 C4
data_[Hf2Mn4P2C4] 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 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 [3.1522] _cell_length_b [3.1...
0.226073
N/A
N/A
train
original data
P6_3/mmc
849
false
672
Hf4 Mn2 Si2 N4
data_[Hf4Mn2Si2N4] 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 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 [3.1359] _cell_length_b [3...
0.266116
N/A
N/A
train
original data
P6_3/mmc
4,523
false
3,628
Mn8 P2 C6
data_[Mn8P2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9114] _cell_length_b [2.9114] _cell_length_c [19.7925] _c...
0.000001
N/A
N/A
train
original data
P6_3/mmc
4,560
false
3,658
Zr2 Ta2 C2 S2
data_[Zr2Ta2C2S2] 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 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 [3.3583] _cell_length_b [3.358...
0.795791
N/A
N/A
train
original data
P6_3mc
2,753
false
2,202
V2 Cd2 W4 C4
data_[V2Cd2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9803] _cell_length_b [2.980...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,318
false
1,848
Cr2 Si2 Mo4 C4
data_[Cr2Si2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 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 [3.0106] _cell_length_b [3...
0.755117
N/A
N/A
test
original data
P6_3/mmc
1,054
false
5,701
Mn4 Nb4 Ga2 N6
data_[Mn4Nb4Ga2N6] 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 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 [2.9567] _cell_length_b [2...
0.29386
N/A
N/A
test
original data
P6_3/mmc
11
false
5,594
Ta2 Mn4 In2 C4
data_[Ta2Mn4In2C4] 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 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 [3.0734] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
629
false
494
Sc4 Mn4 C6 S2
data_[Sc4Mn4C6S2] 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 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 [3.1678] _cell_length_b [3.1...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,821
false
3,857
V2 P2 W2 N2
data_[V2P2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9975] _cell_length_b [2.9975] _...
1
N/A
N/A
train
original data
P6_3mc
1,678
false
1,331
Hf4 Ta2 In2 N4
data_[Hf4Ta2In2N4] 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 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 [3.1783] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,237
false
4,196
Sc2 Ti2 Ge2 C2
data_[Sc2Ti2Ge2C2] 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 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 [3.1864] _cell_length_b [3.1...
0.793499
N/A
N/A
train
original data
P6_3mc
525
false
408
Ti2 In2 W4 N4
data_[Ti2In2W4N4] 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 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 [3.0238] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,910
false
2,325
Hf2 Mn2 Sn2 C2
data_[Hf2Mn2Sn2C2] 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 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 [3.2227] _cell_length_b [3.2...
0.222573
N/A
N/A
train
original data
P6_3mc
323
false
257
Cr4 As2 C2
data_[Cr4As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.9949] _cell_length_b [2.9949] _cell_length_c [11.5737] ...
0.178311
N/A
N/A
train
original data
P6_3/mmc
2,558
false
2,038
Hf2 Sc2 Al2 N2
data_[Hf2Sc2Al2N2] 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 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 [3.2037] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
1,430
false
1,132
Hf4 Nb2 Sn2 N4
data_[Hf4Nb2Sn2N4] 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 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 [3.2179] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,190
false
2,552
Zr4 Cr2 Cd2 C4
data_[Zr4Cr2Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2179] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
4,188
false
3,351
Sc4 Tl2 Cr4 C6
data_[Sc4Tl2Cr4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1290] _cell_length_b [3...
0.76994
N/A
N/A
train
original data
P6_3/mmc
1,602
false
1,273
Hf2 Sc2 Ga2 C2
data_[Hf2Sc2Ga2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2893] _cell_length_b [3.2...
0.79581
N/A
N/A
train
original data
P6_3mc
3,013
false
2,403
Ti2 V2 As2 N2
data_[Ti2V2As2N2] 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 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 [3.1281] _cell_length_b [3.128...
1
N/A
N/A
train
original data
P6_3mc
1,287
false
1,022
Hf2 Nb4 In2 C4
data_[Hf2Nb4In2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2080] _cell_length_b [3...
0.793533
N/A
N/A
test
original data
P6_3/mmc
2,209
false
5,810
Nb2 Cr4 As2 N4
data_[Nb2Cr4As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1266] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,500
false
3,609
V4 Cr4 S2 N6
data_[V4Cr4S2N6] 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_3/mmc] _cell_length_a [2.9381] _cell_length_b [2.938...
1
N/A
N/A
validation
original data
P6_3/mmc
2,135
false
5,180
Ta2 Cr4 Cd2 N4
data_[Ta2Cr4Cd2N4] 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 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 [3.0604] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
5,183
false
6,089
Mn8 Sn2 N6
data_[Mn8Sn2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9775] _cell_length_b [2.9775] _cell_length_c [20.9674] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
4,799
false
3,844
Nb2 V4 Ga2 C4
data_[Nb2V4Ga2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 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 [3.0259] _cell_length_b [3.0...
0.797571
N/A
N/A
train
original data
P6_3/mmc
3,773
false
3,020
Sc4 P2 W2 N4
data_[Sc4P2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2156] _cell_length_b [3.215...
1
N/A
N/A
train
original data
P6_3/mmc
1,825
false
1,455
V2 Mo4 As2 C4
data_[V2Mo4As2C4] 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 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 [3.0643] _cell_length_b [3.0...
0.795239
N/A
N/A
test
original data
P6_3/mmc
5,933
false
6,172
Zr8 Ga2 N6
data_[Zr8Ga2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2535] _cell_length_b [3.2535] _cell_length_c [24.7586] ...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
165
false
4,977
Nb2 Ga2 Mo2 C2
data_[Nb2Ga2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1189] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3mc
15
false
11
Hf2 V2 P2 N2
data_[Hf2V2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2124] _cell_length_b [3.2124]...
1
N/A
N/A
train
original data
P6_3mc
4
false
3
Zr4 Nb2 Pb2 N4
data_[Zr4Nb2Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2442] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
4,377
false
5,413
Ta4 Ti2 Si2 N4
data_[Ta4Ti2Si2N4] 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 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 [3.0431] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,739
false
4,599
Ti2 Al2 Cr4 C4
data_[Ti2Al2Cr4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 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 [2.9222] _cell_length_b [2...
0.769295
N/A
N/A
train
original data
P6_3/mmc
4,598
false
3,690
Ge2 Mo2 W4 C4
data_[Ge2Mo2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1145] _cell_length_b [3.1...
0.793909
N/A
N/A
validation
original data
P6_3/mmc
3,205
false
5,285
Hf4 Ga2 W4 C6
data_[Hf4Ga2W4C6] 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 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 [3.1562] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,355
false
1,878
Ti4 Ge2 Mo4 N6
data_[Ti4Ge2Mo4N6] 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 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 [3.0172] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,676
false
1,329
Ta2 Mo2 Pb2 C2
data_[Ta2Mo2Pb2C2] 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 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 [3.2614] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3mc
4,425
false
3,547
Hf2 Zr4 Ga2 N4
data_[Hf2Zr4Ga2N4] 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 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 [3.2218] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,167
false
4,140
Ta2 Cd2 W2 N2
data_[Ta2Cd2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9449] _cell_length_b [2.944...
0.997033
N/A
N/A
train
original data
P6_3mc
3,519
false
2,812
Zr2 Mn4 Tl2 C4
data_[Zr2Mn4Tl2C4] 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 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 [3.1441] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
3,278
false
2,626
Ta4 Nb4 As2 N6
data_[Ta4Nb4As2N6] 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 [3.1542] _cell_length_b [3...
0.986064
N/A
N/A
train
original data
P6_3/mmc
3,223
false
2,578
Zr2 Sn2 W2 C2
data_[Zr2Sn2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.2929] _cell_length_b [3.292...
0.797144
N/A
N/A
train
original data
P6_3mc
1,801
false
1,432
Cr4 Sn2 W2 N4
data_[Cr4Sn2W2N4] 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 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 [3.1157] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
709
false
563
Cr4 Ga2 Mo2 C4
data_[Cr4Ga2Mo2C4] 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 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 [3.0159] _cell_length_b [3...
0.76773
N/A
N/A
train
original data
P6_3/mmc
3,172
false
2,537
Mn2 Cr4 Pb2 N4
data_[Mn2Cr4Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0403] _cell_length_b [3...
0.2376
N/A
N/A
train
original data
P6_3/mmc
3,256
false
2,608
Ti4 Tl2 W2 N4
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
N/A
N/A
train
original data
P6_3/mmc
2,645
false
2,111