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
Ti2 V2 Si2 C2
data_[Ti2V2Si2C2] 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 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9762] _cell_length_b [2.976...
0.798068
N/A
N/A
train
original data
P6_3mc
711
false
565
Sc2 Ti4 Sn2 C4
data_[Sc2Ti4Sn2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2118] _cell_length_b [3...
0.795414
N/A
N/A
validation
original data
P6_3/mmc
5,873
false
5,560
Mn2 V4 Pb2 N4
data_[Mn2V4Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0638] _cell_length_b [3.0...
0.301631
N/A
N/A
train
original data
P6_3/mmc
4,117
false
3,290
Mn6 Sn2 N4
data_[Mn6Sn2N4] 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 [2.9991] _cell_length_b [2.9991] _cell_length_c [16.6773] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
414
false
327
Ti2 V4 In2 C4
data_[Ti2V4In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0425] _cell_length_b [3.0...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
3,428
false
5,312
Ta4 Cr4 P2 N6
data_[Ta4Cr4P2N6] 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 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 [3.0209] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,703
false
3,767
Mn4 V4 Cd2 C6
data_[Mn4V4Cd2C6] 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 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 [2.9470] _cell_length_b [2.9...
0.216866
N/A
N/A
train
original data
P6_3/mmc
3,265
false
2,616
Sc2 V4 Ge2 C4
data_[Sc2V4Ge2C4] 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 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 [3.0630] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,680
false
3,748
Hf4 Sc4 As2 C6
data_[Hf4Sc4As2C6] 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 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 [3.3578] _cell_length_b [3...
0.797568
N/A
N/A
train
original data
P6_3/mmc
1,991
false
1,589
Hf4 Mn2 Tl2 N4
data_[Hf4Mn2Tl2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2256] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,006
false
4,005
V4 Cr2 Cd2 C4
data_[V4Cr2Cd2C4] 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 [2.9540] _cell_length_b [2.9...
0.764042
N/A
N/A
test
original data
P6_3/mmc
2,314
false
5,818
Sc2 Cr2 As2 N2
data_[Sc2Cr2As2N2] 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 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 [3.1898] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
3,114
false
2,490
Zr2 Sc4 P2 N4
data_[Zr2Sc4P2N4] 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_3/mmc] _cell_length_a [3.3010] _cell_length_b [3.3...
1
N/A
N/A
validation
original data
P6_3/mmc
5,437
false
5,514
Nb4 W4 C6 S2
data_[Nb4W4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 W 2.3600 1.3500 0.7667 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 [3.1652] _cell_length_b [3.165...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
1,476
false
5,115
Al2 Cr4 Mo4 N6
data_[Al2Cr4Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 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 [2.8278] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
496
false
392
Hf4 Zr2 In2 N4
data_[Hf4Zr2In2N4] 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 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 [3.2391] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,223
false
4,183
Zr2 Nb4 Si2 N4
data_[Zr2Nb4Si2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2103] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,097
false
2,474
Zr2 Cr2 As2 C2
data_[Zr2Cr2As2C2] 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 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 [3.2661] _cell_length_b [3.2...
0.755117
N/A
N/A
train
original data
P6_3mc
5,044
false
4,037
V2 Cr4 P2 N4
data_[V2Cr4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9650] _cell_length_b [2.965...
1
N/A
N/A
train
original data
P6_3/mmc
4,532
false
3,635
Mn2 V2 As2 N2
data_[Mn2V2As2N2] 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 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 [3.0239] _cell_length_b [3.023...
0.270965
N/A
N/A
train
original data
P6_3mc
415
false
328
Hf2 Pb2 W2 N2
data_[Hf2Pb2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3942] _cell_length_b [3.394...
1
N/A
N/A
train
original data
P6_3mc
4,487
false
3,596
Mn4 Ga2 Mo2 N4
data_[Mn4Ga2Mo2N4] 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 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 [2.9189] _cell_length_b [2...
0.307412
N/A
N/A
test
original data
P6_3/mmc
522
false
5,652
Cr4 Pb2 W4 C6
data_[Cr4Pb2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 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 [3.1004] _cell_length_b [3.1...
0.755903
N/A
N/A
train
original data
P6_3/mmc
5,586
false
4,474
Hf4 Mo4 As2 N6
data_[Hf4Mo4As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 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 [3.2243] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,105
false
2,481
Ti2 P2 W2 N2
data_[Ti2P2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1468] _cell_length_b [3.1468]...
1
N/A
N/A
train
original data
P6_3mc
2,085
false
1,665
Ta4 Nb4 Si2 C6
data_[Ta4Nb4Si2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1852] _cell_length_b [3...
0.795612
N/A
N/A
train
original data
P6_3/mmc
1,759
false
1,397
Sc4 Cd2 Mo2 N4
data_[Sc4Cd2Mo2N4] 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 [3.1762] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,138
false
1,705
Cr2 Sn2 W4 N4
data_[Cr2Sn2W4N4] 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 [2.9386] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
5,655
false
4,531
Zr4 Mn4 Pb2 N6
data_[Zr4Mn4Pb2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2625] _cell_length_b [3...
0.236842
N/A
N/A
test
original data
P6_3/mmc
2,736
false
5,857
Sc2 In2 W2 N2
data_[Sc2In2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1442] _cell_length_b [3.144...
1
N/A
N/A
train
original data
P6_3mc
4,796
false
3,841
Zr2 Mn4 Al2 N4
data_[Zr2Mn4Al2N4] 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 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 [3.1470] _cell_length_b [3...
0.292033
N/A
N/A
test
original data
P6_3/mmc
5,401
false
6,116
Ti4Sn2C2
data_[Ti4Sn2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1626] _cell_length_b [3.1626] _cell_length_c [13.6789] ...
0.596925
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
96
false
4,846
Ta4 Si2 W4 N6
data_[Ta4Si2W4N6] 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 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 [3.0860] _cell_length_b [3.0...
0.994132
N/A
N/A
train
original data
P6_3/mmc
1,028
false
817
Nb2 Al2 W2 C2
data_[Nb2Al2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0619] _cell_length_b [3.061...
0.794852
N/A
N/A
train
original data
P6_3mc
36
false
29
Ti2 Cr4 Ge2 N4
data_[Ti2Cr4Ge2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9306] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
1,821
false
1,451
Sc4 V2 Sn2 C4
data_[Sc4V2Sn2C4] 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 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 [3.1852] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
974
false
778
Ge2 Mo2 W2 N2
data_[Ge2Mo2W2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9432] _cell_length_b [2.943...
1
N/A
N/A
validation
original data
P6_3mc
2,253
false
5,199
Hf4 Mn4 P2 N6
data_[Hf4Mn4P2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1486] _cell_length_b [3.1...
0.236842
N/A
N/A
train
original data
P6_3/mmc
1,764
false
1,401
Zr2 Al2 Cr4 C4
data_[Zr2Al2Cr4C4] 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 [3.0662] _cell_length_b [3...
0.758539
N/A
N/A
train
original data
P6_3/mmc
5,083
false
4,070
Sc2 Ti2 As2 C2
data_[Sc2Ti2As2C2] 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 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 [3.2751] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3mc
4,503
false
3,612
Zr2 Sc2 In2 C2
data_[Zr2Sc2In2C2] 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 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 [3.3516] _cell_length_b [3.3...
0.798068
N/A
N/A
train
original data
P6_3mc
1,068
false
849
Ta2 Mn2 Al2 C2
data_[Ta2Mn2Al2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0176] _cell_length_b [3.0...
0.215552
N/A
N/A
train
original data
P6_3mc
4,634
false
3,715
Pb2 W8 C6
data_[Pb2W8C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1696] _cell_length_b [3.1696] _cell_length_c [24.6261] _c...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,984
false
4,787
Mn2 Nb2 P2 C2
data_[Mn2Nb2P2C2] 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 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 [3.2022] _cell_length_b [3.202...
0.19983
N/A
N/A
train
original data
P6_3mc
317
false
251
Nb4 V2 C4 S2
data_[Nb4V2C4S2] 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 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 [3.1196] _cell_length_b [3.119...
0.793626
N/A
N/A
train
original data
P6_3/mmc
5,640
false
4,517
Sc4 Ti2 Cd2 C4
data_[Sc4Ti2Cd2C4] 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_3/mmc] _cell_length_a [3.2021] _cell_length_b [3...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
4,222
false
5,399
Tl2 Cr8 N6
data_[Tl2Cr8N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0031] _cell_length_b [3.0031] _cell_length_c [21.7490] ...
0.307091
N/A
N/A
train
original data
P6_3/mmc
700
false
556
Ti2 V2 C2 S2
data_[Ti2V2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1592] _cell_length_b [3.1592]...
0.794188
N/A
N/A
train
original data
P6_3mc
56
false
44
Hf2 Zr2 As2 N2
data_[Hf2Zr2As2N2] 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_3mc] _cell_length_a [3.4191] _cell_length_b [3.4...
1
N/A
N/A
test
original data
P6_3mc
3,438
false
5,923
Mn4 V4 S2 N6
data_[Mn4V4S2N6] 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 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 [2.9920] _cell_length_b [2.992...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,753
false
3,809
Sc4 Nb2 In2 C4
data_[Sc4Nb2In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2481] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,712
false
3,775
Sc2 Al2 Cr4 N4
data_[Sc2Al2Cr4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9774] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
2,631
false
2,099
Ta2 Cr2 Sn2 C2
data_[Ta2Cr2Sn2C2] 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 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 [3.1552] _cell_length_b [3.1...
0.760223
N/A
N/A
train
original data
P6_3mc
1,035
false
823
Ti2 Nb4 Tl2 N4
data_[Ti2Nb4Tl2N4] 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 [3.0642] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,922
false
3,132
B2Rh2
data_[B2Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3771] _cell_length_b [3.3771] _cell_length_c [4.0957] _cell_angle_alpha [90.0000] _cell...
0.663352
N/A
null
validation
synthetic, MP or NOMAD
P6_3/mmc
44
true
5,578
Mn2 Nb4 Sn2 C4
data_[Mn2Nb4Sn2C4] 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 [3.1769] _cell_length_b [3...
0.219802
N/A
N/A
test
original data
P6_3/mmc
3,836
false
5,961
Hf2 In2 W2 C2
data_[Hf2In2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2014] _cell_length_b [3.201...
0.792398
N/A
N/A
test
original data
P6_3mc
1,180
false
5,713
Ti4 Al2 N2
data_[Ti4Al2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9910] _cell_length_b [2.9910] _cell_length_c [13.6362] ...
0.255278
N/A
N/A
train
original data
P6_3/mmc
4,350
false
3,481
Ta4 Mn2 Ge2 N4
data_[Ta4Mn2Ge2N4] 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 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 [3.0405] _cell_length_b [3...
0.307412
N/A
N/A
train
original data
P6_3/mmc
3,494
false
2,798
Mo4 Pb2 W4 C6
data_[Mo4Pb2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1818] _cell_length_b [3.1...
0.795889
N/A
N/A
train
original data
P6_3/mmc
5,361
false
4,291
Sc2 Ti4 Tl2 N4
data_[Sc2Ti4Tl2N4] 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 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 [3.1486] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
5,060
false
6,076
Hf2 Tl2 Mo4 N4
data_[Hf2Tl2Mo4N4] 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 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 [3.1440] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,555
false
2,843
Mn4 Nb4 As2 C6
data_[Mn4Nb4As2C6] 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 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 [3.1199] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,542
false
3,645
V2 Ge2 Mo2 N2
data_[V2Ge2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0682] _cell_length_b [3.068...
1
N/A
N/A
train
original data
P6_3mc
2,641
false
2,107
Hf4 V2 Si2 N4
data_[Hf4V2Si2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1064] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,142
false
1,707
Tl2 V6 C4
data_[Tl2V6C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0187] _cell_length_b [3.0187] _cell_length_c [18.5135] _c...
0.215739
N/A
N/A
train
original data
P6_3/mmc
5,248
false
4,204
Ti6 In2 N4
data_[Ti6In2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0641] _cell_length_b [3.0641] _cell_length_c [18.9573] ...
0.296698
N/A
N/A
train
original data
P6_3/mmc
5,679
false
4,549
Ta4 V4 Ge2 C6
data_[Ta4V4Ge2C6] 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 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 [3.0946] _cell_length_b [3.0...
0.797853
N/A
N/A
train
original data
P6_3/mmc
2,538
false
2,022
Ti2 Si2 W2 C2
data_[Ti2Si2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Si 1.9000 1.1000 0.5400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1020] _cell_length_b [3.102...
0.792496
N/A
N/A
train
original data
P6_3mc
1,132
false
897
V4 Sn2 C2
data_[V4Sn2C2] 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 [3.1201] _cell_length_b [3.1201] _cell_length_c [12.9462] _c...
0.19983
N/A
N/A
train
original data
P6_3/mmc
2,491
false
1,989
Mn4 Cr2 In2 C4
data_[Mn4Cr2In2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9740] _cell_length_b [2...
0.17193
N/A
N/A
train
original data
P6_3/mmc
3,539
false
2,830
Zr4 Cr2 Sn2 N4
data_[Zr4Cr2Sn2N4] 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 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 [3.1375] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,441
false
4,357
Ti2 V4 Ga2 N4
data_[Ti2V4Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9088] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
142
false
111
V4 Cr4 In2 N6
data_[V4Cr4In2N6] 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 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 [2.9991] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
3,735
false
2,989
V4 Cr4 P2 N6
data_[V4Cr4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9555] _cell_length_b [2.955...
1
N/A
N/A
train
original data
P6_3/mmc
5,297
false
4,243
Mn4 P2 C2
data_[Mn4P2C2] 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 [2.8746] _cell_length_b [2.8746] _cell_length_c [11.1211] _c...
0.000002
N/A
N/A
train
original data
P6_3/mmc
1,969
false
1,572
Hf4 Pb2 W2 C4
data_[Hf4Pb2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2940] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,490
false
3,599
Zr2 Sc2 P2 C2
data_[Zr2Sc2P2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.4534] _cell_length_b [3.453...
0.792398
N/A
N/A
validation
original data
P6_3mc
3,405
false
5,309
Zr2 Ga2 W4 C4
data_[Zr2Ga2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1035] _cell_length_b [3.1...
0.792398
N/A
N/A
test
original data
P6_3/mmc
4,608
false
6,031
Ta4 Si2 Mo4 N6
data_[Ta4Si2Mo4N6] 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 [2.9589] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
1,823
false
1,453
Sc2 Mn2 In2 C2
data_[Sc2Mn2In2C2] 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_3mc] _cell_length_a [3.1154] _cell_length_b [3.1...
0.19983
N/A
N/A
train
original data
P6_3mc
2,594
false
2,067
Sc2 V4 Ga2 N4
data_[Sc2V4Ga2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9426] _cell_length_b [2.9...
1
N/A
N/A
test
original data
P6_3/mmc
3,055
false
5,895
Sc4 W2 C4 S2
data_[Sc4W2C4S2] 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 [3.2591] _cell_length_b [3.259...
0.794739
N/A
N/A
train
original data
P6_3/mmc
2,714
false
2,171
Zr4 Ta2 In2 C4
data_[Zr4Ta2In2C4] 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_3/mmc] _cell_length_a [3.3130] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,604
false
2,077
Hf4 Ti2 Tl2 C4
data_[Hf4Ti2Tl2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2705] _cell_length_b [3...
0.797835
N/A
N/A
train
original data
P6_3/mmc
5,531
false
4,433
Sc2 Cr4 P2 N4
data_[Sc2Cr4P2N4] 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 [3.0629] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,937
false
3,951
Hf4 Ga2 C2
data_[Hf4Ga2C2] 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 [3.2855] _cell_length_b [3.2855] _cell_length_c [14.0590] ...
0.211265
N/A
N/A
train
original data
P6_3/mmc
2,561
false
2,041
Zr2 Ti2 Tl2 C2
data_[Zr2Ti2Tl2C2] 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 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 [3.2821] _cell_length_b [3.2...
0.791686
N/A
N/A
train
original data
P6_3mc
2,376
false
1,897
Zr4 Ta2 Al2 N4
data_[Zr4Ta2Al2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1796] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,444
false
4,359
V2 Cr2 Sn2 N2
data_[V2Cr2Sn2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1110] _cell_length_b [3.111...
1
N/A
N/A
validation
original data
P6_3mc
1,599
false
5,127
V2 Si2 Mo2 C2
data_[V2Si2Mo2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0414] _cell_length_b [3.041...
0.798068
N/A
N/A
train
original data
P6_3mc
2,322
false
1,851
Hf4 Nb4 Ge2 C6
data_[Hf4Nb4Ge2C6] 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 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 [3.2296] _cell_length_b [3...
0.793468
N/A
N/A
train
original data
P6_3/mmc
1,898
false
1,510
Sc2 Mo2 As2 N2
data_[Sc2Mo2As2N2] 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 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 [3.2408] _cell_length_b [3.2...
1
N/A
N/A
validation
original data
P6_3mc
3,374
false
5,303
Hf2 Ga2 Mo2 C2
data_[Hf2Ga2Mo2C2] 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 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 [3.1632] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3mc
602
false
470
Nb4 Si2 W4 C6
data_[Nb4Si2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1619] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,637
false
1,303
Hf2 Ti4 In2 C4
data_[Hf2Ti4In2C4] 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 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 [3.2072] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,310
false
4,253
Cr2 Ge2 W2 C2
data_[Cr2Ge2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0365] _cell_length_b [3.036...
0.761118
N/A
N/A
train
original data
P6_3mc
3,940
false
3,148
Hf4 V4 In2 N6
data_[Hf4V4In2N6] 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 [3.1396] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,232
false
2,586
Sc4 Mn4 Al2 N6
data_[Sc4Mn4Al2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0105] _cell_length_b [3...
0.261404
N/A
N/A
test
original data
P6_3/mmc
1,220
false
5,719
Zr4 Ta2 Cd2 C4
data_[Zr4Ta2Cd2C4] 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 [3.2949] _cell_length_b [3...
0.79356
N/A
N/A
train
original data
P6_3/mmc
3,596
false
2,876