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
Cr6 As2 C4
data_[Cr6As2C4] 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 [2.9582] _cell_length_b [2.9582] _cell_length_c [16.3155] ...
0.175572
N/A
N/A
train
original data
P6_3/mmc
1,982
false
1,580
Hf4 Ta4 Cd2 N6
data_[Hf4Ta4Cd2N6] 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 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 [3.1590] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,041
false
829
Hf2 Cd2 W4 C4
data_[Hf2Cd2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0728] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,739
false
2,189
Sc4 Ge2 W4 N6
data_[Sc4Ge2W4N6] 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 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 [3.0908] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,509
false
4,415
Ti4 Ge2 W2 N4
data_[Ti4Ge2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0464] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
1,058
false
841
Zr4 Nb2 P2 C4
data_[Zr4Nb2P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3589] _cell_length_b [3.3...
0.797557
N/A
N/A
train
original data
P6_3/mmc
4,801
false
3,846
Ti4 Cd2 C2
data_[Ti4Cd2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0977] _cell_length_b [3.0977] _cell_length_c [14.5202] ...
0.19983
N/A
N/A
validation
original data
P6_3/mmc
3,081
false
5,272
Sc4 Nb2 Ge2 C4
data_[Sc4Nb2Ge2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2261] _cell_length_b [3...
0.793478
N/A
N/A
train
original data
P6_3/mmc
4,798
false
3,843
Zr2 Mn4 Ge2 C4
data_[Zr2Mn4Ge2C4] 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 [3.1141] _cell_length_b [3...
0.204896
N/A
N/A
train
original data
P6_3/mmc
718
false
569
Tl2 W6 C4
data_[Tl2W6C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1172] _cell_length_b [3.1172] _cell_length_c [19.4515] _c...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,423
false
3,545
Hf2 Mo4 P2 C4
data_[Hf2Mo4P2C4] 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 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 [3.1715] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,728
false
2,182
Ta4 Nb4 Pb2 N6
data_[Ta4Nb4Pb2N6] 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 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 [3.2361] _cell_length_b [3...
0.990176
N/A
N/A
validation
original data
P6_3/mmc
3,776
false
5,350
Zr4 Ti2 Al2 N4
data_[Zr4Ti2Al2N4] 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 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 [3.1423] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,119
false
3,292
Sc2 Ta4 As2 C4
data_[Sc2Ta4As2C4] 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 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 [3.2844] _cell_length_b [3...
0.796347
N/A
N/A
train
original data
P6_3/mmc
2,501
false
1,996
Zr2 V4 Ga2 C4
data_[Zr2V4Ga2C4] 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 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 [3.0793] _cell_length_b [3.0...
0.79731
N/A
N/A
train
original data
P6_3/mmc
5,863
false
4,692
Zr8 Pb2 N6
data_[Zr8Pb2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2861] _cell_length_b [3.2861] _cell_length_c [25.7107] ...
0.252391
N/A
N/A
train
original data
P6_3/mmc
5,056
false
4,048
Sc2 P2 W4 N4
data_[Sc2P2W4N4] 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 [3.0797] _cell_length_b [3.079...
1
N/A
N/A
train
original data
P6_3/mmc
5,839
false
4,672
Ti4 Ga2 W2 C4
data_[Ti4Ga2W2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0876] _cell_length_b [3.0...
0.792398
N/A
N/A
test
original data
P6_3/mmc
5,489
false
6,125
Hf4 V2 Pb2 C4
data_[Hf4V2Pb2C4] 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 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 [3.2655] _cell_length_b [3.2...
0.792759
N/A
N/A
test
original data
P6_3/mmc
3,985
false
5,978
Ti2 V4 As2 N4
data_[Ti2V4As2N4] 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_3/mmc] _cell_length_a [3.0069] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3/mmc
4,223
false
5,400
Ta4 V2 Cd2 N4
data_[Ta4V2Cd2N4] 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 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 [3.0201] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,007
false
2,397
Al2 Cr2 W2 C2
data_[Al2Cr2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9387] _cell_length_b [2.938...
0.76185
N/A
N/A
train
original data
P6_3mc
2,986
false
2,382
Sc2 Ta2 Sn2 C2
data_[Sc2Ta2Sn2C2] 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 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 [3.2603] _cell_length_b [3.2...
0.793318
N/A
N/A
train
original data
P6_3mc
153
false
121
Mn4 In2 W2 N4
data_[Mn4In2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0105] _cell_length_b [3.0...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,264
false
3,416
Hf4 Zr4 P2 N6
data_[Hf4Zr4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2999] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
1,161
false
917
Hf2 Ta2 Tl2 N2
data_[Hf2Ta2Tl2N2] 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 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2342] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
4,273
false
3,422
Hf4 Ta4 As2 N6
data_[Hf4Ta4As2N6] 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 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 [3.2688] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,502
false
1,997
Ta2 Al2 V2 N2
data_[Ta2Al2V2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9437] _cell_length_b [2.943...
1
N/A
N/A
train
original data
P6_3mc
4,763
false
3,815
Nb8 C6 S2
data_[Nb8C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2016] _cell_length_b [3.2016] _cell_length_c [22.3616] _c...
0.208935
N/A
N/A
train
original data
P6_3/mmc
4,051
false
3,236
Ti2 In2 W2 C2
data_[Ti2In2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1084] _cell_length_b [3.108...
0.792398
N/A
N/A
train
original data
P6_3mc
2,435
false
1,944
Zr4 Ta4 In2 C6
data_[Zr4Ta4In2C6] 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 [3.2424] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
335
false
268
Nb8 Cd2 N6
data_[Nb8Cd2N6] 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 [3.1786] _cell_length_b [3.1786] _cell_length_c [24.3841] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
152
false
120
Hf8 Tl2 N6
data_[Hf8Tl2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2234] _cell_length_b [3.2234] _cell_length_c [25.5160] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
1,627
false
1,294
V6 Si2 N4
data_[V6Si2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9016] _cell_length_b [2.9016] _cell_length_c [17.0981] _c...
0.252642
N/A
N/A
train
original data
P6_3/mmc
1,894
false
1,506
Mn2 Nb4 Ga2 C4
data_[Mn2Nb4Ga2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0988] _cell_length_b [3...
0.236412
N/A
N/A
train
original data
P6_3/mmc
5,997
false
4,798
Sc2 Ta4 Al2 C4
data_[Sc2Ta4Al2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1699] _cell_length_b [3...
0.795552
N/A
N/A
train
original data
P6_3/mmc
2,313
false
1,844
Hf4 Ti2 Al2 C4
data_[Hf4Ti2Al2C4] 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 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 [3.2202] _cell_length_b [3...
0.796217
N/A
N/A
test
original data
P6_3/mmc
2,482
false
5,835
Cr6 Si2 N4
data_[Cr6Si2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8304] _cell_length_b [2.8304] _cell_length_c [17.2243] ...
0.297871
N/A
N/A
train
original data
P6_3/mmc
10
false
8
Sc2 Ta2 Si2 N2
data_[Sc2Ta2Si2N2] 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 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 [3.0983] _cell_length_b [3.0...
1
N/A
N/A
test
original data
P6_3mc
5,365
false
6,114
Hf2 Al2 W2 N2
data_[Hf2Al2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0109] _cell_length_b [3.010...
1
N/A
N/A
train
original data
P6_3mc
2,473
false
1,976
Sc2 Cr2 Cd2 N2
data_[Sc2Cr2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0323] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3mc
2,229
false
1,775
Tl2 Mo6 C4
data_[Tl2Mo6C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1327] _cell_length_b [3.1327] _cell_length_c [19.2679] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
3,135
false
2,505
Nb4 Ge2 W2 C4
data_[Nb4Ge2W2C4] 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 [3.1322] _cell_length_b [3.1...
0.793595
N/A
N/A
train
original data
P6_3/mmc
5,015
false
4,013
Ti4 V2 As2 N4
data_[Ti4V2As2N4] 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_3/mmc] _cell_length_a [3.1051] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
5,247
false
5,498
Sc4 In2 N2
data_[Sc4In2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2629] _cell_length_b [3.2629] _cell_length_c [14.9260] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,463
false
1,968
Si2 Mo2 W4 N4
data_[Si2Mo2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 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 [2.8323] _cell_length_b [2.8...
1
N/A
N/A
test
original data
P6_3/mmc
305
false
5,622
Hf2 Al2 V4 C4
data_[Hf2Al2V4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0512] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,784
false
1,417
Ta4 Mn4 C6 S2
data_[Ta4Mn4C6S2] 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 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 [3.1255] _cell_length_b [3.1...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,474
false
3,583
Zr4 Mo2 S2 N4
data_[Zr4Mo2S2N4] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.4455] _cell_length_b [3.4...
1
N/A
N/A
train
original data
P6_3/mmc
2,563
false
2,043
Sn2 W6 N4
data_[Sn2W6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [2.8992] _cell_length_b [2.8992] _cell_length_c [21.2298] _c...
0.307412
N/A
N/A
test
original data
P6_3/mmc
3,301
false
5,914
Ta6 Ga2 N4
data_[Ta6Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9762] _cell_length_b [2.9762] _cell_length_c [20.0984] ...
0.282315
N/A
N/A
train
original data
P6_3/mmc
3,046
false
2,433
Fe4B4W4
data_[Fe4B4W4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.7835] _cell_length_b [3.2164] _cell_length_c [6.7404] _cell_a...
0.909783
N/A
null
train
synthetic, MP or NOMAD
Pnma
2
true
4,811
Ta4 Mn4 Si2 N6
data_[Ta4Mn4Si2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9641] _cell_length_b [2...
0.264783
N/A
N/A
train
original data
P6_3/mmc
2,905
false
2,321
Hf6 Cd2 C4
data_[Hf6Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2995] _cell_length_b [3.2995] _cell_length_c [20.3954] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
3,467
false
2,778
Hf4 Ta2 S2 N4
data_[Hf4Ta2S2N4] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2196] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
2,250
false
1,790
Hf2 Ti2 Tl2 N2
data_[Hf2Ti2Tl2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2024] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
826
false
652
Sc8 Pb2 C6
data_[Sc8Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.3404] _cell_length_b [3.3404] _cell_length_c [26.4330] ...
0.228829
N/A
N/A
train
original data
P6_3/mmc
2,883
false
2,303
Sc4 P2 W4 C6
data_[Sc4P2W4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2038] _cell_length_b [3.203...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,034
false
4,029
Ta4 Ti4 Ge2 N6
data_[Ta4Ti4Ge2N6] 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 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
N/A
N/A
train
original data
P6_3/mmc
472
false
374
Ta4 Mn4 Ge2 N6
data_[Ta4Mn4Ge2N6] 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 [2.9686] _cell_length_b [2...
0.247379
N/A
N/A
train
original data
P6_3/mmc
3,279
false
2,627
Sc4 Cr2 Cd2 N4
data_[Sc4Cr2Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0940] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,846
false
4,678
Hf4 Nb2 Al2 C4
data_[Hf4Nb2Al2C4] 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 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 [3.2492] _cell_length_b [3...
0.793301
N/A
N/A
train
original data
P6_3/mmc
3,264
false
2,615
Zr4 Mn4 Cd2 N6
data_[Zr4Mn4Cd2N6] 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 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 [3.2120] _cell_length_b [3...
0.307412
N/A
N/A
test
original data
P6_3/mmc
4,468
false
6,019
Tl2 V4 Mo2 N4
data_[Tl2V4Mo2N4] 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 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 [3.0890] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,784
false
4,633
Ti4 Pb2 W2 N4
data_[Ti4Pb2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1847] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
1,853
false
5,151
Al2 Cr4 Mo2 N4
data_[Al2Cr4Mo2N4] 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 [2.8008] _cell_length_b [2...
1
N/A
N/A
test
original data
P6_3/mmc
5,792
false
6,156
Tl2 V4 W4 N6
data_[Tl2V4W4N6] 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 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 [2.9470] _cell_length_b [2.947...
1
N/A
N/A
validation
original data
P6_3/mmc
2,431
false
5,212
Hf2 Si2 Mo4 C4
data_[Hf2Si2Mo4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1445] _cell_length_b [3...
0.795695
N/A
N/A
train
original data
P6_3/mmc
202
false
160
Hf4 Ga2 Mo2 N4
data_[Hf4Ga2Mo2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2106] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
502
false
396
Ta4 Mo2 Pb2 N4
data_[Ta4Mo2Pb2N4] 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_3/mmc] _cell_length_a [3.3451] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,122
false
3,295
Zr2 Mn4 In2 N4
data_[Zr2Mn4In2N4] 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 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 [3.2134] _cell_length_b [3...
0.259076
N/A
N/A
train
original data
P6_3/mmc
878
false
698
Ta3Fe3B3
data_[Ta3Fe3B3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [5.9786] _cell_length_b [5.9786] _cell_length_c [3.1535] _cel...
0.472183
N/A
null
train
synthetic, MP or NOMAD
P-62m
88
true
4,856
V2 Cr4 C4 S2
data_[V2Cr4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9583] _cell_length_b [2.958...
0.755117
N/A
N/A
train
original data
P6_3/mmc
4,874
false
3,901
Zr2 Nb4 As2 C4
data_[Zr2Nb4As2C4] 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 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 [3.3126] _cell_length_b [3...
0.795885
N/A
N/A
train
original data
P6_3/mmc
4,548
false
3,650
Hf2 Ga2 Mo4 N4
data_[Hf2Ga2Mo4N4] 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 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
N/A
N/A
train
original data
P6_3/mmc
5,782
false
4,631
Hf2 Nb2 S2 N2
data_[Hf2Nb2S2N2] 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 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 [3.3206] _cell_length_b [3.320...
1
N/A
N/A
train
original data
P6_3mc
2,340
false
1,866
Hf2 V4 Pb2 C4
data_[Hf2V4Pb2C4] 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 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 [3.1977] _cell_length_b [3.1...
0.794001
N/A
N/A
validation
original data
P6_3/mmc
2,542
false
5,227
Ti4 Si2 W4 C6
data_[Ti4Si2W4C6] 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_3/mmc] _cell_length_a [3.0633] _cell_length_b [3.0...
0.795607
N/A
N/A
train
original data
P6_3/mmc
454
false
360
Sc4 Tl2 Cr2 C4
data_[Sc4Tl2Cr2C4] 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 [3.1577] _cell_length_b [3...
0.756684
N/A
N/A
validation
original data
P6_3/mmc
3,005
false
5,270
Sc4 Cd2 W2 N4
data_[Sc4Cd2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cd 1.6900 1.5500 1.0900 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1696] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,821
false
2,253
Zr2 Nb2 In2 C2
data_[Zr2Nb2In2C2] 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 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 [3.2494] _cell_length_b [3.2...
0.795711
N/A
N/A
train
original data
P6_3mc
2,785
false
2,227
Hf4 V4 P2 C6
data_[Hf4V4P2C6] 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 [3.1841] _cell_length_b [3.184...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,030
false
818
Hf2 V4 P2 N4
data_[Hf2V4P2N4] 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_3/mmc] _cell_length_a [3.1034] _cell_length_b [3.103...
1
N/A
N/A
train
original data
P6_3/mmc
1,618
false
1,286
Sc4 Cr2 Ga2 N4
data_[Sc4Cr2Ga2N4] 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_3/mmc] _cell_length_a [3.0756] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,292
false
1,826
Sc2 V2 Cd2 C2
data_[Sc2V2Cd2C2] 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 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1086] _cell_length_b [3.108...
0.794056
N/A
N/A
validation
original data
P6_3mc
2,509
false
5,222
Nb4 Cr4 C6 S2
data_[Nb4Cr4C6S2] 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 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 [3.0651] _cell_length_b [3.0...
0.755117
N/A
N/A
train
original data
P6_3/mmc
2,268
false
1,804
Ti2 As2 W4 C4
data_[Ti2As2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.0902] _cell_length_b [3.0...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
5,965
false
5,567
Y6Ni14B4
data_[Y6Ni14B4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.0786] _cell_length_b [5.0786] _cell_length_c [14.2566] _...
0.052986
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
172
true
4,910
Nb6V2B14
data_[Nb12V4B28] 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 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.1902] _cell_length_b [14.4794] _cell_length_c [9.0121] _cel...
0.541664
N/A
null
train
synthetic, MP or NOMAD
Cmcm
116
true
4,878
Zr6 Cd2 N4
data_[Zr6Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.3241] _cell_length_b [3.3241] _cell_length_c [19.9176] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,950
false
4,763
Ta4 Mn4 Ga2 C6
data_[Ta4Mn4Ga2C6] 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 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 [3.0422] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
779
false
618
Hf4 Nb2 In2 C4
data_[Hf4Nb2In2C4] 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 [3.2912] _cell_length_b [3...
0.796472
N/A
N/A
validation
original data
P6_3/mmc
2,311
false
5,203
Zr4 Nb4 Pb2 C6
data_[Zr4Nb4Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2523] _cell_length_b [3...
0.793777
N/A
N/A
validation
original data
P6_3/mmc
1,007
false
5,061
Zr2 Mn4 Ga2 C4
data_[Zr2Mn4Ga2C4] 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 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 [3.0744] _cell_length_b [3...
0.21343
N/A
N/A
train
original data
P6_3/mmc
5,988
false
4,790
Nb4 Cr2 S2 N4
data_[Nb4Cr2S2N4] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0306] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,284
false
3,433
Sc2 Mn2 Pb2 N2
data_[Sc2Mn2Pb2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1751] _cell_length_b [3.1...
0.261392
N/A
N/A
train
original data
P6_3mc
3,251
false
2,603
Hf2 Mo2 Pb2 C2
data_[Hf2Mo2Pb2C2] 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 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 [3.3401] _cell_length_b [3.3...
0.792398
N/A
N/A
test
original data
P6_3mc
3,902
false
5,968
Sc4 Cd2 N2
data_[Sc4Cd2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2267] _cell_length_b [3.2267] _cell_length_c [15.1001] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
4,420
false
3,543
Cr6 In2 N4
data_[Cr6In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9907] _cell_length_b [2.9907] _cell_length_c [17.2392] ...
0.241241
N/A
N/A
validation
original data
P6_3/mmc
5,670
false
5,543
V6 Ga2 C4
data_[V6Ga2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9314] _cell_length_b [2.9314] _cell_length_c [17.7053] _c...
0.209217
N/A
N/A
train
original data
P6_3/mmc
664
false
526