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
Nb4 V4 Cd2 C6
data_[Nb4V4Cd2C6] 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 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 [3.0413] _cell_length_b [3.0...
0.795575
N/A
N/A
train
original data
P6_3/mmc
4,091
false
3,268
Ta4 Si2 W2 N4
data_[Ta4Si2W2N4] 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 [2.9497] _cell_length_b [2.9...
0.992432
N/A
N/A
train
original data
P6_3/mmc
2,613
false
2,085
Zr4 Nb2 Tl2 N4
data_[Zr4Nb2Tl2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2340] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,492
false
1,990
Sc4 V2 Pb2 C4
data_[Sc4V2Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2136] _cell_length_b [3.2...
0.793071
N/A
N/A
test
original data
P6_3/mmc
4,759
false
6,044
Zr2 Al2 W4 C4
data_[Zr2Al2W4C4] 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 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 [3.0905] _cell_length_b [3.0...
0.793294
N/A
N/A
train
original data
P6_3/mmc
3,043
false
2,430
Hf4 As2 W4 N6
data_[Hf4As2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2099] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
1,093
false
868
Ta4 Ge2 C2
data_[Ta4Ge2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2499] _cell_length_b [3.2499] _cell_length_c [12.5542] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,627
false
4,505
Sc2 Ta2 Ga2 N2
data_[Sc2Ta2Ga2N2] 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 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 [3.1009] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
4,467
false
3,580
Nb2 Sn2 W4 C4
data_[Nb2Sn2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.1541] _cell_length_b [3.1...
0.796429
N/A
N/A
train
original data
P6_3/mmc
622
false
487
Sc2 Cr2 In2 N2
data_[Sc2Cr2In2N2] 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_3mc] _cell_length_a [3.0844] _cell_length_b [3.0...
1
N/A
N/A
test
original data
P6_3mc
4,624
false
6,032
Ti4 Cr4 Ge2 N6
data_[Ti4Cr4Ge2N6] 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 [2.9635] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
357
false
288
Nb4 W4 S2 N6
data_[Nb4W4S2N6] 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 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 [2.9671] _cell_length_b [2.967...
1
N/A
N/A
test
original data
P6_3/mmc
751
false
5,671
Zr4 Mn2 Si2 C4
data_[Zr4Mn2Si2C4] 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 [3.2126] _cell_length_b [3...
0.222562
N/A
N/A
train
original data
P6_3/mmc
2,758
false
2,205
Ta2 Ti4 Ge2 N4
data_[Ta2Ti4Ge2N4] 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 [3.0713] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
342
false
274
Zr2 Cr4 Ga2 N4
data_[Zr2Cr4Ga2N4] 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 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 [3.0575] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
2,872
false
5,252
Hf2 Zr2 Al2 C2
data_[Hf2Zr2Al2C2] 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 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 [3.2951] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3mc
3,455
false
2,766
Nb8 Si2 N6
data_[Nb8Si2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1322] _cell_length_b [3.1322] _cell_length_c [22.9953] ...
0.293044
N/A
N/A
train
original data
P6_3/mmc
4,594
false
3,686
Zr2 V4 As2 N4
data_[Zr2V4As2N4] 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 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 [3.1260] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,763
false
3,011
Ti2 Tl2 Cr2 C2
data_[Ti2Tl2Cr2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1068] _cell_length_b [3.1...
0.772323
N/A
N/A
validation
original data
P6_3mc
1,978
false
5,163
Sc2 Nb4 Si2 C4
data_[Sc2Nb4Si2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1875] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,811
false
1,442
Hf2 Sc2 Al2 C2
data_[Hf2Sc2Al2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2777] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3mc
2,780
false
2,225
Zr4 Nb2 Si2 N4
data_[Zr4Nb2Si2N4] 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 [3.2046] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,720
false
1,365
Mn4 Nb4 Si2 C6
data_[Mn4Nb4Si2C6] 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_3/mmc] _cell_length_a [3.0680] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
754
false
597
Zr4 In2 Mo4 N6
data_[Zr4In2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.2502] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
184
false
147
V8 P2 N6
data_[V8P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9373] _cell_length_b [2.9373] _cell_length_c [20.9403] _cel...
0.236842
N/A
N/A
train
original data
P6_3/mmc
861
false
683
Hf4 Cr2 P2 N4
data_[Hf4Cr2P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2287] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
2,696
false
2,155
Hf4 Sc4 Sn2 C6
data_[Hf4Sc4Sn2C6] 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 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 [3.3134] _cell_length_b [3...
0.794187
N/A
N/A
validation
original data
P6_3/mmc
5,227
false
5,497
Sc2 Ti2 Ga2 C2
data_[Sc2Ti2Ga2C2] 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 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1736] _cell_length_b [3.1...
0.792851
N/A
N/A
train
original data
P6_3mc
1,276
false
1,012
Zr2 Mn4 C4 S2
data_[Zr2Mn4C4S2] 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 [3.1761] _cell_length_b [3.1...
0.205643
N/A
N/A
validation
original data
P6_3/mmc
3,941
false
5,371
Sc4 Al2 W2 N4
data_[Sc4Al2W2N4] 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 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 [3.1383] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
2,672
false
2,134
Mn2 Sn2 Mo2 N2
data_[Mn2Sn2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0839] _cell_length_b [3.0...
0.243586
N/A
N/A
validation
original data
P6_3mc
5,989
false
5,571
Nb2 Pb2 W4 N4
data_[Nb2Pb2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 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...
1
N/A
N/A
train
original data
P6_3/mmc
4,082
false
3,260
Ti2 Ge2 W4 C4
data_[Ti2Ge2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0572] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,182
false
1,740
Sc4 Si2 W4 C6
data_[Sc4Si2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.1759] _cell_length_b [3.1...
0.792919
N/A
N/A
train
original data
P6_3/mmc
1,926
false
1,534
Mn2 Mo4 Pb2 N4
data_[Mn2Mo4Pb2N4] 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 [3.0863] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
541
false
417
Nb2 Tl2 W4 N4
data_[Nb2Tl2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9496] _cell_length_b [2.9...
1
N/A
N/A
validation
original data
P6_3/mmc
3,818
false
5,356
Zr4 Tl2 Mo2 N4
data_[Zr4Tl2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.3902] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,634
false
2,102
Nb4 Cr4 In2 C6
data_[Nb4Cr4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0443] _cell_length_b [3...
0.765076
N/A
N/A
train
original data
P6_3/mmc
3,629
false
2,903
Zr4 Si2 C2
data_[Zr4Si2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3207] _cell_length_b [3.3207] _cell_length_c [13.5975] ...
0.206289
N/A
N/A
test
original data
P6_3/mmc
5,387
false
6,115
Nb4 Cd2 C2
data_[Nb4Cd2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1690] _cell_length_b [3.1690] _cell_length_c [14.6454] ...
0.232361
N/A
N/A
train
original data
P6_3/mmc
5,414
false
4,334
Hf2 Sn2 Mo2 C2
data_[Hf2Sn2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2900] _cell_length_b [3.2...
0.793289
N/A
N/A
train
original data
P6_3mc
2,031
false
1,622
Sn2 Mo4 W4 C6
data_[Sn2Mo4W4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1670] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
246
false
196
Sc4 Tl2 V2 C4
data_[Sc4Tl2V2C4] 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 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 [3.1808] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,714
false
1,361
Sc4 Nb4 Cd2 N6
data_[Sc4Nb4Cd2N6] 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 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 [3.1526] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
111
false
92
Hf2 Nb2 Ga2 N2
data_[Hf2Nb2Ga2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1634] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3mc
2,531
false
5,225
Tl2 Cr2 Mo2 N2
data_[Tl2Cr2Mo2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1263] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
3,427
false
2,746
Hf4 Nb4 Sn2 C6
data_[Hf4Nb4Sn2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2286] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
330
false
263
Ta4 In2 W4 C6
data_[Ta4In2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1498] _cell_length_b [3.1...
0.793662
N/A
N/A
train
original data
P6_3/mmc
2,735
false
2,187
Zr4 Sc4 Tl2 N6
data_[Zr4Sc4Tl2N6] 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 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 [3.2635] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,239
false
4,198
Zr8 Sn2 C6
data_[Zr8Sn2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3657] _cell_length_b [3.3657] _cell_length_c [25.4921] ...
0.204859
N/A
N/A
train
original data
P6_3/mmc
3,011
false
2,401
Ta2 Cr2 Si2 N2
data_[Ta2Cr2Si2N2] 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 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 [3.0230] _cell_length_b [3.0...
1
N/A
N/A
test
original data
P6_3mc
1,559
false
5,751
Si2 Mo6 C4
data_[Si2Mo6C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0950] _cell_length_b [3.0950] _cell_length_c [17.4870] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
693
false
549
Cr4 P2 W2 N4
data_[Cr4P2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 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 [2.8551] _cell_length_b [2.855...
1
N/A
N/A
train
original data
P6_3/mmc
688
false
544
Mn2 Cr2 Pb2 C2
data_[Mn2Cr2Pb2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1026] _cell_length_b [3.1...
0.172418
N/A
N/A
train
original data
P6_3mc
4,504
false
3,613
Mn8 Tl2 N6
data_[Mn8Tl2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9802] _cell_length_b [2.9802] _cell_length_c [21.2597] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
5,438
false
4,355
Ta4 Mn4 As2 C6
data_[Ta4Mn4As2C6] 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 [3.1410] _cell_length_b [3...
0.216005
N/A
N/A
train
original data
P6_3/mmc
1,572
false
1,247
Ta4 Cr4 Ga2 N6
data_[Ta4Cr4Ga2N6] 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 [2.9621] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
1,292
false
1,027
Nb2 As2 W4 N4
data_[Nb2As2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1389] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,927
false
3,136
Zr2 Ti4 Ge2 C4
data_[Zr2Ti4Ge2C4] 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 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 [3.1972] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,147
false
3,316
Ti8 P2 C6
data_[Ti8P2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1280] _cell_length_b [3.1280] _cell_length_c [21.4616] _c...
0.223005
N/A
N/A
train
original data
P6_3/mmc
736
false
583
Tl2 Cr6 N4
data_[Tl2Cr6N4] 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 [3.0198] _cell_length_b [3.0198] _cell_length_c [17.2526] ...
0.255707
N/A
N/A
train
original data
P6_3/mmc
4,428
false
3,550
V4 Ga2 Mo4 N6
data_[V4Ga2Mo4N6] 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 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 [2.8403] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
2,150
false
1,713
Mn4 Mo4 As2 N6
data_[Mn4Mo4As2N6] 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 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 [2.9514] _cell_length_b [2...
0.248497
N/A
N/A
test
original data
P6_3/mmc
2,527
false
5,840
Hf8 Tl2 C6
data_[Hf8Tl2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3269] _cell_length_b [3.3269] _cell_length_c [25.4786] ...
0.200145
N/A
N/A
train
original data
P6_3/mmc
5,877
false
4,703
Sc2 Cr2 Pb2 N2
data_[Sc2Cr2Pb2N2] 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 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 [3.2347] _cell_length_b [3.2...
1
N/A
N/A
test
original data
P6_3mc
1,197
false
5,717
Sc2 Nb2 Al2 N2
data_[Sc2Nb2Al2N2] 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 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0980] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3mc
271
false
4,990
Hf2 Zr4 In2 N4
data_[Hf2Zr4In2N4] 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 [3.2411] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,681
false
2,948
Mo4 As2 N2
data_[Mo4As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0280] _cell_length_b [3.0280] _cell_length_c [13.0660] ...
0.288238
N/A
N/A
train
original data
P6_3/mmc
761
false
603
Hf4 Nb4 Pb2 C6
data_[Hf4Nb4Pb2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2559] _cell_length_b [3...
0.794575
N/A
N/A
test
original data
P6_3/mmc
3,506
false
5,931
Ta4 Tl2 Mo4 C6
data_[Ta4Tl2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 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 [3.1591] _cell_length_b [3...
0.795698
N/A
N/A
train
original data
P6_3/mmc
4,514
false
3,622
Na2B2C2
data_[Na2B2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 B 2.0400 0.8500 0.4100 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8066] _cell_length_b [2.8066] _cell_length_c [8.2999] _ce...
0.670912
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
134
true
4,889
B6Mo6Ni2
data_[Ni4B12Mo12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.1876] _cell_length_b [8.4665] _cell_length_c [10.8097] _c...
0.555644
N/A
null
train
synthetic, MP or NOMAD
Cmcm
276
true
4,955
Ti2 Tl2 W2 C2
data_[Ti2Tl2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1420] _cell_length_b [3.142...
0.798068
N/A
N/A
train
original data
P6_3mc
2,414
false
1,930
Ta2 Sn2 Mo4 N4
data_[Ta2Sn2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1918] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
702
false
558
Mo2 W4 S2 N4
data_[Mo2W4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8986] _cell_length_b [2.898...
1
N/A
N/A
train
original data
P6_3/mmc
2,512
false
2,002
Zr2 Nb4 In2 C4
data_[Zr2Nb4In2C4] 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_3/mmc] _cell_length_a [3.2262] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,107
false
878
Hf4 Al2 W2 C4
data_[Hf4Al2W2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2029] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,661
false
1,322
Mn4 Nb2 Ge2 C4
data_[Mn4Nb2Ge2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0584] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,956
false
4,769
Ta4 Ti4 Ga2 C6
data_[Ta4Ti4Ga2C6] 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 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 [3.0995] _cell_length_b [3...
0.796977
N/A
N/A
train
original data
P6_3/mmc
3,875
false
3,099
Ti4 Mn4 In2 C6
data_[Ti4Mn4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 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 [3.0280] _cell_length_b [3...
0.220717
N/A
N/A
train
original data
P6_3/mmc
132
false
104
Ti4 V4 As2 C6
data_[Ti4V4As2C6] 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_3/mmc] _cell_length_a [3.0805] _cell_length_b [3.0...
0.792398
N/A
N/A
test
original data
P6_3/mmc
2,232
false
5,812
Nb2 Sn2 Mo2 N2
data_[Nb2Sn2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2526] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
5,379
false
4,307
Ti4 V2 Ge2 N4
data_[Ti4V2Ge2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9931] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
5,634
false
4,512
Zr4 Mo4 P2 C6
data_[Zr4Mo4P2C6] 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_3/mmc] _cell_length_a [3.2385] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3/mmc
157
false
124
Zr2 Nb2 Ga2 C2
data_[Zr2Nb2Ga2C2] 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 Ga 1.8100 1.3000 0.7600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2179] _cell_length_b [3.2...
0.798068
N/A
N/A
validation
original data
P6_3mc
1,683
false
5,137
Zr2 Nb4 Al2 C4
data_[Zr2Nb4Al2C4] 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 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...
0.792398
N/A
N/A
train
original data
P6_3/mmc
6,006
false
4,805
Al2 Mo2 W2 N2
data_[Al2Mo2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 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 [2.8397] _cell_length_b [2.839...
1
N/A
N/A
train
original data
P6_3mc
3,152
false
2,520
Mn2 Tl2 Mo4 C4
data_[Mn2Tl2Mo4C4] 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 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 [3.1094] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,852
false
3,884
Ta4 Cr4 Sn2 C6
data_[Ta4Cr4Sn2C6] 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_3/mmc] _cell_length_a [3.0682] _cell_length_b [3...
0.760139
N/A
N/A
train
original data
P6_3/mmc
876
false
696
Mn2 Ge2 Mo2 N2
data_[Mn2Ge2Mo2N2] 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 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 [3.0087] _cell_length_b [3.0...
0.236842
N/A
N/A
train
original data
P6_3mc
2,097
false
1,675
Sn2 Mo2 W4 C4
data_[Sn2Mo2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1620] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,004
false
3,199
Ta6 Tl2 N4
data_[Ta6Tl2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1328] _cell_length_b [3.1328] _cell_length_c [19.8534] ...
0.303469
N/A
N/A
train
original data
P6_3/mmc
2,902
false
2,318
Al2 Mo2 W4 N4
data_[Al2Mo2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 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 [2.8291] _cell_length_b [2.8...
1
N/A
N/A
validation
original data
P6_3/mmc
5,308
false
5,505
Cr8 P2 C6
data_[Cr8P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9102] _cell_length_b [2.9102] _cell_length_c [20.5170] _c...
0.178311
N/A
N/A
validation
original data
P6_3/mmc
5,467
false
5,517
Mn2 Cr2 Ge2 N2
data_[Mn2Cr2Ge2N2] 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 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 [2.9383] _cell_length_b [2.9...
0.296627
N/A
N/A
train
original data
P6_3mc
4,435
false
3,556
Zr2 As2 W2 C2
data_[Zr2As2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3507] _cell_length_b [3.350...
0.798068
N/A
N/A
train
original data
P6_3mc
3,002
false
2,394
Ta2 Tl2 Mo2 C2
data_[Ta2Tl2Mo2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 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 [3.2199] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3mc
381
false
306
Hf2 Nb4 Sn2 N4
data_[Hf2Nb4Sn2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1665] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
863
false
685
Zr4 Tl2 Cr2 C4
data_[Zr4Tl2Cr2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.2509] _cell_length_b [3...
0.774854
N/A
N/A
validation
original data
P6_3/mmc
3,831
false
5,359
Ti6Sn2C4
data_[Ti6Sn2C4] 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 [3.1503] _cell_length_b [3.1503] _cell_length_c [18.7327] ...
0.152723
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
23
false
4,821