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 W4 C4 S2
data_[Ti2W4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 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 [3.0667] _cell_length_b [3.066...
0.795634
N/A
N/A
train
original data
P6_3/mmc
5,374
false
4,303
Ta2 V4 As2 N4
data_[Ta2V4As2N4] 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 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 [3.0821] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3/mmc
4,708
false
5,450
Zr2 Nb4 P2 C4
data_[Zr2Nb4P2C4] 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 [3.2893] _cell_length_b [3.2...
0.796501
N/A
N/A
train
original data
P6_3/mmc
5,663
false
4,536
Ta4 Mo2 Pb2 C4
data_[Ta4Mo2Pb2C4] 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_3/mmc] _cell_length_a [3.2100] _cell_length_b [3...
0.796416
N/A
N/A
train
original data
P6_3/mmc
3,487
false
2,793
Sc2 Cr2 Ge2 N2
data_[Sc2Cr2Ge2N2] 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 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0406] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3mc
2,609
false
2,082
Hf2 Mn2 Cd2 C2
data_[Hf2Mn2Cd2C2] 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 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 [3.1189] _cell_length_b [3.1...
0.205934
N/A
N/A
train
original data
P6_3mc
635
false
499
Tl2 Cr4 Mo2 C4
data_[Tl2Cr4Mo2C4] 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 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 [3.1085] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
1,066
false
847
Sc4 Cr4 In2 N6
data_[Sc4Cr4In2N6] 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 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 [3.0344] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,912
false
2,327
Zr2 Ta4 Cd2 N4
data_[Zr2Ta4Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1157] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,719
false
2,174
B6Co2Mo6
data_[Co4B12Mo12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 B 2.0400 0.8500 0.4100 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.1512] _cell_length_b [8.4275] _cell_length_c [10.7385] _c...
0.490522
N/A
null
train
synthetic, MP or NOMAD
Cmcm
271
true
4,952
Mn4 Nb4 Al2 C6
data_[Mn4Nb4Al2C6] 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 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 [3.0562] _cell_length_b [3...
0.221137
N/A
N/A
train
original data
P6_3/mmc
1,849
false
1,473
Ta4 Mn2 Sn2 C4
data_[Ta4Mn2Sn2C4] 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 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 [3.1945] _cell_length_b [3...
0.227602
N/A
N/A
train
original data
P6_3/mmc
3,422
false
2,742
Ti4 Nb4 P2 N6
data_[Ti4Nb4P2N6] 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 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 [3.0660] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,421
false
1,936
Sc4 Mn4 P2 N6
data_[Sc4Mn4P2N6] 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 [3.1168] _cell_length_b [3.1...
0.236842
N/A
N/A
train
original data
P6_3/mmc
835
false
661
Ti2 V2 In2 C2
data_[Ti2V2In2C2] 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_3mc] _cell_length_a [3.0921] _cell_length_b [3.092...
0.795581
N/A
N/A
train
original data
P6_3mc
873
false
693
Mn2 Nb2 Ge2 N2
data_[Mn2Nb2Ge2N2] 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 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0743] _cell_length_b [3.0...
0.24316
N/A
N/A
train
original data
P6_3mc
1,650
false
1,312
Cr6 Pb2 C4
data_[Cr6Pb2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0429] _cell_length_b [3.0429] _cell_length_c [17.5841] ...
0.171161
N/A
N/A
train
original data
P6_3/mmc
5,589
false
4,476
V4 Sn2 Mo2 C4
data_[V4Sn2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0909] _cell_length_b [3.0...
0.798068
N/A
N/A
test
original data
P6_3/mmc
4,945
false
6,067
Sn2 Mo4 W2 N4
data_[Sn2Mo4W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 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 [2.9250] _cell_length_b [2.9...
1
N/A
N/A
validation
original data
P6_3/mmc
4,108
false
5,391
Sc4 Nb4 P2 C6
data_[Sc4Nb4P2C6] 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 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 [3.2724] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,553
false
2,841
Zr4 Nb2 Sn2 N4
data_[Zr4Nb2Sn2N4] 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 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 [3.2300] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,481
false
1,171
Zr4 Mn4 Si2 C6
data_[Zr4Mn4Si2C6] 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 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 [3.1814] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
1,782
false
1,415
Zr2 Ti2 Ga2 N2
data_[Zr2Ti2Ga2N2] 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 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1265] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
21
false
17
Sc4 In2 Mo2 N4
data_[Sc4In2Mo2N4] 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 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 [3.2011] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
626
false
491
Mn2 V4 As2 C4
data_[Mn2V4As2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0708] _cell_length_b [3.0...
0.19983
N/A
N/A
train
original data
P6_3/mmc
1,293
false
1,028
Mo2 P2 W4 C4
data_[Mo2P2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [3.1170] _cell_length_b [3.117...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,484
false
4,393
Nb4 Cr2 Cd2 N4
data_[Nb4Cr2Cd2N4] 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 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 [3.0196] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,288
false
4,234
Sc2 Mn4 Ga2 N4
data_[Sc2Mn4Ga2N4] 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 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 [2.9553] _cell_length_b [2...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,629
false
3,712
Zr4 Ta2 Al2 C4
data_[Zr4Ta2Al2C4] 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_3/mmc] _cell_length_a [3.2719] _cell_length_b [3...
0.792398
N/A
N/A
test
original data
P6_3/mmc
3,714
false
5,949
Nb4 Mo2 P2 N4
data_[Nb4Mo2P2N4] 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 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 [3.0801] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3/mmc
2,380
false
5,208
Ti6 S2 N4
data_[Ti6S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0775] _cell_length_b [3.0775] _cell_length_c [16.3405] _c...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,651
false
4,527
Ti2 Cd2 W2 N2
data_[Ti2Cd2W2N2] 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 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 [3.0509] _cell_length_b [3.050...
1
N/A
N/A
train
original data
P6_3mc
1,281
false
1,016
Sc2 Ti4 P2 N4
data_[Sc2Ti4P2N4] 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 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 [3.1484] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
294
false
231
Mn2 V4 As2 N4
data_[Mn2V4As2N4] 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_3/mmc] _cell_length_a [3.0168] _cell_length_b [3.0...
0.295902
N/A
N/A
train
original data
P6_3/mmc
407
false
323
V4 Sn2 W4 C6
data_[V4Sn2W4C6] 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 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 [3.0535] _cell_length_b [3.053...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,564
false
2,044
Hf8 In2 C6
data_[Hf8In2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3173] _cell_length_b [3.3173] _cell_length_c [25.4952] ...
0.21961
N/A
N/A
train
original data
P6_3/mmc
1,229
false
972
Ti2 V4 Ge2 C4
data_[Ti2V4Ge2C4] 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 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 [3.0108] _cell_length_b [3.0...
0.79489
N/A
N/A
train
original data
P6_3/mmc
4,742
false
3,800
Mn4 Tl2 C2
data_[Mn4Tl2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0590] _cell_length_b [3.0590] _cell_length_c [13.1369] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
5,775
false
4,625
Ti4 Sn2 N2
data_[Ti4Sn2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1303] _cell_length_b [3.1303] _cell_length_c [13.6855] ...
0.307412
N/A
N/A
train
original data
P6_3/mmc
4,230
false
3,387
Mn6 Sn2 C4
data_[Mn6Sn2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0234] _cell_length_b [3.0234] _cell_length_c [16.4790] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
5,864
false
4,693
Hf2 V4 In2 N4
data_[Hf2V4In2N4] 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 [3.0576] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
864
false
686
Sc2 Ti2 P2 C2
data_[Sc2Ti2P2C2] 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 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 [3.2828] _cell_length_b [3.282...
0.797159
N/A
N/A
validation
original data
P6_3mc
4,569
false
5,430
Ta2 Pb2 W4 N4
data_[Ta2Pb2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2075] _cell_length_b [3.2...
0.99623
N/A
N/A
train
original data
P6_3/mmc
5,472
false
4,382
Hf2 Zr4 In2 C4
data_[Hf2Zr4In2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3473] _cell_length_b [3...
0.796146
N/A
N/A
train
original data
P6_3/mmc
4,770
false
3,820
Ta4 Ti4 S2 N6
data_[Ta4Ti4S2N6] 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 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 [3.0449] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
1,947
false
1,553
Hf4 Zr4 S2 N6
data_[Hf4Zr4S2N6] 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 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 [3.2834] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
346
false
278
Hf4 Nb4 Ga2 C6
data_[Hf4Nb4Ga2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2183] _cell_length_b [3...
0.79477
N/A
N/A
train
original data
P6_3/mmc
258
false
203
Hf4 Mo4 Pb2 C6
data_[Hf4Mo4Pb2C6] 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_3/mmc] _cell_length_a [3.2186] _cell_length_b [3...
0.793557
N/A
N/A
train
original data
P6_3/mmc
24
false
20
Zr2 Nb4 Al2 N4
data_[Zr2Nb4Al2N4] 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 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 [3.1181] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
5,261
false
5,501
Mo4 Pb2 W4 N6
data_[Mo4Pb2W4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9173] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
4,092
false
3,269
Sc2 Ta2 P2 N2
data_[Sc2Ta2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2681] _cell_length_b [3.268...
1
N/A
N/A
train
original data
P6_3mc
1,816
false
1,446
Hf2 Zr4 Si2 C4
data_[Hf2Zr4Si2C4] 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 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 [3.3207] _cell_length_b [3...
0.795553
N/A
N/A
validation
original data
P6_3/mmc
3,334
false
5,300
Al6V24C16
data_[Al6V24C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [5.0661] _cell_length_b [5.0661] _cell_length_c [22.6817] ...
0.548816
N/A
null
train
synthetic, MP or NOMAD
P6_3/mcm
91
false
4,858
Ti4 Mo4 P2 C6
data_[Ti4Mo4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0803] _cell_length_b [3.0...
0.793645
N/A
N/A
test
original data
P6_3/mmc
471
false
5,641
V2 Cr2 C2 S2
data_[V2Cr2C2S2] 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_3mc] _cell_length_a [3.0760] _cell_length_b [3.0760]...
0.762041
N/A
N/A
train
original data
P6_3mc
588
false
457
Sc4 Cd2 C2
data_[Sc4Cd2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3084] _cell_length_b [3.3084] _cell_length_c [15.6026] ...
0.224177
N/A
N/A
validation
original data
P6_3/mmc
3,569
false
5,330
Nb2 V4 In2 N4
data_[Nb2V4In2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0415] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
5,187
false
4,154
Sc2 Ta4 Si2 N4
data_[Sc2Ta4Si2N4] 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_3/mmc] _cell_length_a [3.0800] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
2,304
false
5,817
Cr4 Ga2 W4 C6
data_[Cr4Ga2W4C6] 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 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 [2.9386] _cell_length_b [2.9...
0.7612
N/A
N/A
train
original data
P6_3/mmc
4,965
false
3,974
Zr2 Cr2 Sn2 N2
data_[Zr2Cr2Sn2N2] 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_3mc] _cell_length_a [3.1706] _cell_length_b [3.1...
1
N/A
N/A
test
original data
P6_3mc
2,571
false
5,845
Zr2 Ta4 P2 C4
data_[Zr2Ta4P2C4] 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 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 [3.2825] _cell_length_b [3.2...
0.797993
N/A
N/A
validation
original data
P6_3/mmc
5,852
false
5,557
V4 Cr4 As2 N6
data_[V4Cr4As2N6] 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 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9703] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
5,514
false
4,418
P2 W8 N6
data_[P2W8N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8641] _cell_length_b [2.8641] _cell_length_c [25.1407] _cel...
0.307412
N/A
N/A
train
original data
P6_3/mmc
4,547
false
3,649
Mn2 Nb2 Si2 C2
data_[Mn2Nb2Si2C2] 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 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 [3.0945] _cell_length_b [3.0...
0.226061
N/A
N/A
train
original data
P6_3mc
59
false
47
Nb4 V4 As2 N6
data_[Nb4V4As2N6] 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 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 [3.1067] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
766
false
608
Zr2 Ti2 In2 C2
data_[Zr2Ti2In2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2523] _cell_length_b [3.2...
0.785135
N/A
N/A
validation
original data
P6_3mc
4,766
false
5,455
Ti2 Cr4 In2 N4
data_[Ti2Cr4In2N4] 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 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 [2.9523] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
5,932
false
4,749
Sc4 Cr2 Ge2 N4
data_[Sc4Cr2Ge2N4] 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 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 [3.0872] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,036
false
4,031
Nb4 Mo2 P2 C4
data_[Nb4Mo2P2C4] 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 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 [3.1924] _cell_length_b [3.1...
0.796448
N/A
N/A
train
original data
P6_3/mmc
4,002
false
3,197
Sc4 Sn2 Mo4 C6
data_[Sc4Sn2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1619] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,934
false
2,343
Ta4 S2 N2
data_[Ta4S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0863] _cell_length_b [3.0863] _cell_length_c [12.5601] _c...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,513
false
3,621
Mn4 Ge2 W4 N6
data_[Mn4Ge2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8865] _cell_length_b [2.8...
0.253736
N/A
N/A
train
original data
P6_3/mmc
5,235
false
4,194
Mn4 V2 Sn2 N4
data_[Mn4V2Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0627] _cell_length_b [3.0...
0.28688
N/A
N/A
train
original data
P6_3/mmc
2,155
false
1,717
Mn2 Cr4 Ga2 N4
data_[Mn2Cr4Ga2N4] 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 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 [2.9155] _cell_length_b [2...
0.307412
N/A
N/A
train
original data
P6_3/mmc
652
false
515
Mn6 In2 C4
data_[Mn6In2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9950] _cell_length_b [2.9950] _cell_length_c [16.8065] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
303
false
240
Sc4 Cr2 Sn2 N4
data_[Sc4Cr2Sn2N4] 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 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 [3.1397] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,678
false
4,548
Ta4 Mn2 As2 C4
data_[Ta4Mn2As2C4] 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 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 [3.2629] _cell_length_b [3...
0.211982
N/A
N/A
train
original data
P6_3/mmc
1,457
false
1,153
Ti4 V2 Si2 C4
data_[Ti4V2Si2C4] 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_3/mmc] _cell_length_a [3.0196] _cell_length_b [3.0...
0.79571
N/A
N/A
train
original data
P6_3/mmc
4,146
false
3,315
Mn4 Mo2 Pb2 N4
data_[Mn4Mo2Pb2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Mo 2.1600 1.4500 0.7750 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 [3.2246] _cell_length_b [3...
0.268389
N/A
N/A
train
original data
P6_3/mmc
5,765
false
4,616
V8 Ga2 C6
data_[V8Ga2C6] 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 [2.9259] _cell_length_b [2.9259] _cell_length_c [22.5593] _c...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,141
false
3,312
Hf2 Ge2 W4 C4
data_[Hf2Ge2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.1475] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,920
false
2,333
Ti4 P2 W2 N4
data_[Ti4P2W2N4] 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_3/mmc] _cell_length_a [3.1090] _cell_length_b [3.109...
1
N/A
N/A
train
original data
P6_3/mmc
3,489
false
2,795
Ta4 Cr2 Ga2 N4
data_[Ta4Cr2Ga2N4] 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 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 [2.9270] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
3,082
false
2,462
Hf4 Sc2 Ge2 C4
data_[Hf4Sc2Ge2C4] 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 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 [3.3178] _cell_length_b [3...
0.796977
N/A
N/A
train
original data
P6_3/mmc
3,022
false
2,412
Sc2 Cr4 Ga2 N4
data_[Sc2Cr4Ga2N4] 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 [3.0015] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,610
false
4,494
Zr4 Mn4 C6 S2
data_[Zr4Mn4C6S2] 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 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 [3.2244] _cell_length_b [3.2...
0.19983
N/A
N/A
train
original data
P6_3/mmc
2,395
false
1,912
Ti2 Nb2 Si2 N2
data_[Ti2Nb2Si2N2] 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 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 [3.0961] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3mc
2,590
false
5,231
Sc4 Ti4 Sn2 N6
data_[Sc4Ti4Sn2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1359] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,018
false
2,408
Ta8 As2 N6
data_[Ta8As2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1507] _cell_length_b [3.1507] _cell_length_c [22.8560] ...
0.259287
N/A
N/A
train
original data
P6_3/mmc
2,217
false
1,764
Zr2 Cr2 P2 C2
data_[Zr2Cr2P2C2] 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 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 [3.2158] _cell_length_b [3.215...
0.763273
N/A
N/A
train
original data
P6_3mc
830
false
656
Sc4 Cr4 In2 C6
data_[Sc4Cr4In2C6] 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 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 [3.1787] _cell_length_b [3...
0.760179
N/A
N/A
train
original data
P6_3/mmc
1,813
false
1,444
V4 Cr4 Si2 C6
data_[V4Cr4Si2C6] 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 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9007] _cell_length_b [2.9...
0.768827
N/A
N/A
train
original data
P6_3/mmc
1,774
false
1,409
Nb2 V2 Pb2 C2
data_[Nb2V2Pb2C2] 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 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 [3.2673] _cell_length_b [3.267...
0.797893
N/A
N/A
train
original data
P6_3mc
2,589
false
2,064
Mn4 Cr2 P2 N4
data_[Mn4Cr2P2N4] 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 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 [2.7692] _cell_length_b [2.7...
0.304564
N/A
N/A
train
original data
P6_3/mmc
3,547
false
2,836
Ti2 V2 As2 C2
data_[Ti2V2As2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1502] _cell_length_b [3.150...
0.795388
N/A
N/A
train
original data
P6_3mc
2,469
false
1,974
Zr2 Mo2 P2 C2
data_[Zr2Mo2P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3096] _cell_length_b [3.309...
0.798068
N/A
N/A
train
original data
P6_3mc
3,098
false
2,475
Zr2 Mn4 As2 C4
data_[Zr2Mn4As2C4] 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 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 [3.1630] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
665
false
527
Zr4 Si2 W4 N6
data_[Zr4Si2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.1878] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,260
false
3,413
Sc2 V4 Si2 N4
data_[Sc2V4Si2N4] 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 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 [2.9630] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
5,042
false
4,035
Hf4 Ta2 As2 C4
data_[Hf4Ta2As2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3430] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,261
false
2,612