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
Cr4 W4 C6 S2
data_[Cr4W4C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [2.9802] _cell_length_b [2.980...
0.755117
N/A
N/A
validation
original data
P6_3/mmc
2,481
false
5,216
Zr2 Ti2 Si2 C2
data_[Zr2Ti2Si2C2] 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 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 [3.1819] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3mc
1,167
false
921
Sc4 Cr4 Si2 N6
data_[Sc4Cr4Si2N6] 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 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 [3.0348] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
887
false
707
Nb2 In2 Mo4 N4
data_[Nb2In2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [3.1479] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
559
false
433
Mn4 Al2 W2 N4
data_[Mn4Al2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [2.9220] _cell_length_b [2.9...
0.307412
N/A
N/A
train
original data
P6_3/mmc
1,878
false
1,493
Nb4P2C2
data_[Nb4P2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.3093] _cell_length_b [3.3093] _cell_length_c [11.6513] _c...
0.816864
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
47
false
4,830
Sc2 V2 C2 S2
data_[Sc2V2C2S2] 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 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 [3.2172] _cell_length_b [3.2172]...
0.798068
N/A
N/A
train
original data
P6_3mc
2,682
false
2,142
Mn2 Ge2 W4 C4
data_[Mn2Ge2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0919] _cell_length_b [3.0...
0.229868
N/A
N/A
train
original data
P6_3/mmc
5,861
false
4,690
P2 W6 N4
data_[P2W6N4] 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 [2.8904] _cell_length_b [2.8904] _cell_length_c [19.0880] _cel...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,833
false
2,264
Nb2 Sn2 W2 C2
data_[Nb2Sn2W2C2] 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_3mc] _cell_length_a [3.2247] _cell_length_b [3.224...
0.796731
N/A
N/A
train
original data
P6_3mc
3,255
false
2,607
Sc2 Ti2 Al2 N2
data_[Sc2Ti2Al2N2] 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 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 [3.0893] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3mc
2,692
false
2,152
V4 Pb2 W2 N4
data_[V4Pb2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.2059] _cell_length_b [3.205...
1
N/A
N/A
train
original data
P6_3/mmc
3,238
false
2,591
Ta2 Cr4 Si2 N4
data_[Ta2Cr4Si2N4] 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_3/mmc] _cell_length_a [2.9989] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
4,875
false
3,902
Sc4 Ti4 As2 C6
data_[Sc4Ti4As2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2373] _cell_length_b [3...
0.792783
N/A
N/A
train
original data
P6_3/mmc
1,490
false
1,180
Nb6 Cd2 C4
data_[Nb6Cd2C4] 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 [3.1782] _cell_length_b [3.1782] _cell_length_c [19.7928] ...
0.209365
N/A
N/A
test
original data
P6_3/mmc
3,573
false
5,936
Nb2 Cd2 W4 N4
data_[Nb2Cd2W4N4] 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 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 [2.8994] _cell_length_b [2.8...
1
N/A
N/A
test
original data
P6_3/mmc
5,769
false
6,153
Ta2 Pb2 W2 N2
data_[Ta2Pb2W2N2] 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_3mc] _cell_length_a [3.3694] _cell_length_b [3.369...
0.984441
N/A
N/A
train
original data
P6_3mc
1,578
false
1,252
Sc4 V4 Si2 N6
data_[Sc4V4Si2N6] 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 [3.0229] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
857
false
679
Nb4 Al2 V4 C6
data_[Nb4Al2V4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 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 [3.0203] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
824
false
651
Cr4 Cd2 Mo4 C6
data_[Cr4Cd2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 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 [3.0358] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
3,388
false
2,718
Zr4 Mn2 As2 N4
data_[Zr4Mn2As2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2890] _cell_length_b [3...
0.256732
N/A
N/A
train
original data
P6_3/mmc
1,475
false
1,167
Sc2 Mn4 C4 S2
data_[Sc2Mn4C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1237] _cell_length_b [3.1...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,923
false
4,741
Zr4 Tl2 Mo4 C6
data_[Zr4Tl2Mo4C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2288] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,216
false
3,375
Ti2 Al2 W2 C2
data_[Ti2Al2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 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 [3.0173] _cell_length_b [3.017...
0.798068
N/A
N/A
train
original data
P6_3mc
2
false
1
Hf4 Zr2 P2 C4
data_[Hf4Zr2P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3926] _cell_length_b [3.3...
0.794202
N/A
N/A
train
original data
P6_3/mmc
1,111
false
881
Ta2 Al2 Mo4 C4
data_[Ta2Al2Mo4C4] 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 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 [3.0699] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,221
false
1,767
Ta8 P2 N6
data_[Ta8P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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_3/mmc] _cell_length_a [3.1479] _cell_length_b [3.1479] _cell_length_c [22.2674] _c...
0.236842
N/A
N/A
train
original data
P6_3/mmc
430
false
342
Cr2 As2 W4 N4
data_[Cr2As2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9498] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
5,196
false
4,161
Ta4 As2 C2
data_[Ta4As2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3321] _cell_length_b [3.3321] _cell_length_c [11.9230] ...
0.207336
N/A
N/A
train
original data
P6_3/mmc
3,756
false
3,005
Ta4 Nb4 P2 C6
data_[Ta4Nb4P2C6] 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 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 [3.2113] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,445
false
1,953
Mn2 Cr4 In2 N4
data_[Mn2Cr4In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9858] _cell_length_b [2...
0.247733
N/A
N/A
validation
original data
P6_3/mmc
5,615
false
5,534
Hf4 Zr2 Si2 N4
data_[Hf4Zr2Si2N4] 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 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
4,834
false
3,870
Zr4 Nb4 Ga2 N6
data_[Zr4Nb4Ga2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2073] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
274
false
213
Sc4 Si2 W2 N4
data_[Sc4Si2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1376] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
4,617
false
5,434
Mn4 Ga2 Mo4 N6
data_[Mn4Ga2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9330] _cell_length_b [2...
0.236842
N/A
N/A
test
original data
P6_3/mmc
469
false
5,640
Ta8 Pb2 N6
data_[Ta8Pb2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1400] _cell_length_b [3.1400] _cell_length_c [25.0670] ...
0.241662
N/A
N/A
train
original data
P6_3/mmc
5,493
false
4,400
Ti4 Mo2 S2 N4
data_[Ti4Mo2S2N4] 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 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 [3.1357] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
3,019
false
2,409
Nb8 S2 N6
data_[Nb8S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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_3/mmc] _cell_length_a [3.1405] _cell_length_b [3.1405] _cell_length_c [22.3540] _c...
0.259361
N/A
N/A
test
original data
P6_3/mmc
720
false
5,669
Ge2 Mo2 W2 C2
data_[Ge2Mo2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1395] _cell_length_b [3.139...
0.79761
N/A
N/A
train
original data
P6_3mc
912
false
727
Nb2 Si2 Mo2 C2
data_[Nb2Si2Mo2C2] 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 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 [3.1861] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3mc
1,741
false
1,382
Sc2 Ti2 Cd2 N2
data_[Sc2Ti2Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ti 1.5400 1.4000 0.8517 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1345] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
2,430
false
1,942
Sc4 Ti2 Si2 C4
data_[Sc4Ti2Si2C4] 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 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 [3.1821] _cell_length_b [3...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
4,616
false
5,433
Mn2 Cd2 Mo2 N2
data_[Mn2Cd2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 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 [3.0105] _cell_length_b [3.0...
0.242259
N/A
N/A
train
original data
P6_3mc
239
false
193
Al2 V4 Mo4 N6
data_[Al2V4Mo4N6] 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 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 [2.9162] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
3,284
false
2,630
Hf2 Zr4 Tl2 N4
data_[Hf2Zr4Tl2N4] 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 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 [3.2515] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
411
false
5,633
Cr4 Ga2 C2
data_[Cr4Ga2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8653] _cell_length_b [2.8653] _cell_length_c [12.5190] ...
0.174577
N/A
N/A
train
original data
P6_3/mmc
5,117
false
4,099
Hf4 Al2 V4 N6
data_[Hf4Al2V4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0884] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
168
false
134
Cr8 Cd2 C6
data_[Cr8Cd2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9082] _cell_length_b [2.9082] _cell_length_c [22.8734] ...
0.178311
N/A
N/A
train
original data
P6_3/mmc
2,422
false
1,937
Nb4 Al2 V2 C4
data_[Nb4Al2V2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 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 [3.0509] _cell_length_b [3.0...
0.795418
N/A
N/A
train
original data
P6_3/mmc
1,275
false
1,011
Ta4 Ti2 Tl2 C4
data_[Ta4Ti2Tl2C4] 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 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 [3.1639] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,114
false
4,096
Mn4 W2 C4 S2
data_[Mn4W2C4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.0812] _cell_length_b [3.081...
0.226565
N/A
N/A
train
original data
P6_3/mmc
2,329
false
1,855
Hf4 Mo2 P2 N4
data_[Hf4Mo2P2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3779] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3/mmc
4,047
false
3,234
Hf4 Ti2 As2 C4
data_[Hf4Ti2As2C4] 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 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 [3.3082] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,562
false
2,042
Ge2 Mo4 W4 C6
data_[Ge2Mo4W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1421] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
915
false
730
Nb2 Tl2 W4 C4
data_[Nb2Tl2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1105] _cell_length_b [3.1...
0.792398
N/A
N/A
test
original data
P6_3/mmc
4,559
false
6,026
Mn2 Cr4 S2 N4
data_[Mn2Cr4S2N4] 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 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 [2.9536] _cell_length_b [2.9...
0.243826
N/A
N/A
train
original data
P6_3/mmc
851
false
674
Ta4 Cr2 Sn2 C4
data_[Ta4Cr2Sn2C4] 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 [3.1511] _cell_length_b [3...
0.768936
N/A
N/A
test
original data
P6_3/mmc
2,425
false
5,827
V4 Mo2 S2 N4
data_[V4Mo2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Mo 2.1600 1.4500 0.7750 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 [3.0766] _cell_length_b [3.076...
1
N/A
N/A
train
original data
P6_3/mmc
5,123
false
4,104
Ti6Nb2C4
data_[Ti18Nb6C12] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.2221] _cell_length_b [6.2221] _cell_length_c [14.5486] _c...
0.07085
N/A
null
train
synthetic, MP or NOMAD
R-3m
140
false
4,893
Hf4 Mn2 Ge2 N4
data_[Hf4Mn2Ge2N4] 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 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 [3.2057] _cell_length_b [3...
0.276095
N/A
N/A
test
original data
P6_3/mmc
2,472
false
5,834
Mn4 Sn2 N2
data_[Mn4Sn2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9971] _cell_length_b [2.9971] _cell_length_c [12.5950] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
3,527
false
2,819
Ta4 As2 W2 C4
data_[Ta4As2W2C4] 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 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 [3.1878] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,372
false
3,502
Ti2 Si2 Mo4 C4
data_[Ti2Si2Mo4C4] 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 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 [3.0451] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,904
false
4,725
Nb4 Si2 Mo2 C4
data_[Nb4Si2Mo2C4] 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 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 [3.1400] _cell_length_b [3...
0.793853
N/A
N/A
train
original data
P6_3/mmc
4,723
false
3,784
Mn2 Cr4 P2 C4
data_[Mn2Cr4P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9416] _cell_length_b [2.9...
0.174628
N/A
N/A
test
original data
P6_3/mmc
5,110
false
6,081
Cr2 Pb2 W2 N2
data_[Cr2Pb2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1732] _cell_length_b [3.173...
1
N/A
N/A
train
original data
P6_3mc
563
false
437
Ta4 Ti2 Al2 C4
data_[Ta4Ti2Al2C4] 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 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 [3.0907] _cell_length_b [3...
0.794715
N/A
N/A
validation
original data
P6_3/mmc
4,817
false
5,462
Hf4 Zr2 Pb2 N4
data_[Hf4Zr2Pb2N4] 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 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 [3.2531] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
1,655
false
5,759
Hf2 Zr4 Sn2 C4
data_[Hf2Zr4Sn2C4] 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 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 [3.3529] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,436
false
1,945
Ta4 Cr2 Si2 C4
data_[Ta4Cr2Si2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0884] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
3,907
false
3,121
Ti2 Cr2 Ga2 C2
data_[Ti2Cr2Ga2C2] 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 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 [2.9612] _cell_length_b [2.9...
0.755117
N/A
N/A
train
original data
P6_3mc
4,450
false
3,567
Tl2 V4 Mo4 N6
data_[Tl2V4Mo4N6] 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 [3.1138] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
1,761
false
5,143
Ta2 Mo2 As2 N2
data_[Ta2Mo2As2N2] 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 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3256] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
4,316
false
3,456
Cr2 Mo4 P2 N4
data_[Cr2Mo4P2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9441] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
4,622
false
3,706
Ti4 As2 W2 N4
data_[Ti4As2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1418] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
5,506
false
4,412
V4In2C2
data_[V4In2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0258] _cell_length_b [3.0258] _cell_length_c [13.6132] _c...
0.658616
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
62
false
4,838
Mn2 Sn2 W4 C4
data_[Mn2Sn2W4C4] 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 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 [3.1390] _cell_length_b [3.1...
0.205191
N/A
N/A
test
original data
P6_3/mmc
4,968
false
6,069
Sc4 Mn2 Tl2 C4
data_[Sc4Mn2Tl2C4] 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 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 [3.1685] _cell_length_b [3...
0.219893
N/A
N/A
test
original data
P6_3/mmc
3,394
false
5,918
Ti2 Mn4 Tl2 C4
data_[Ti2Mn4Tl2C4] 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 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 [3.0396] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
752
false
595
Nb4 Pb2 C2
data_[Nb4Pb2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2965] _cell_length_b [3.2965] _cell_length_c [14.1640] ...
0.225004
N/A
N/A
test
original data
P6_3/mmc
4,846
false
6,055
In2 Mo4 W2 C4
data_[In2Mo4W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 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 [3.1126] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
109
false
90
Zr2 Tl2 Mo4 C4
data_[Zr2Tl2Mo4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1601] _cell_length_b [3...
0.792398
N/A
N/A
validation
original data
P6_3/mmc
2,247
false
5,198
Ti4 V2 Ge2 C4
data_[Ti4V2Ge2C4] 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 [3.0480] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,536
false
2,827
Nb4 V2 As2 N4
data_[Nb4V2As2N4] 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 [3.1032] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,038
false
3,226
Hf4 As2 C2
data_[Hf4As2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.4343] _cell_length_b [3.4343] _cell_length_c [12.4429] ...
0.214575
N/A
N/A
train
original data
P6_3/mmc
5,200
false
4,165
Sc4 Al2 V2 C4
data_[Sc4Al2V2C4] 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 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 [3.1160] _cell_length_b [3.1...
0.797049
N/A
N/A
train
original data
P6_3/mmc
5,050
false
4,043
Zr4 Nb4 C6 S2
data_[Zr4Nb4C6S2] 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 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 [3.2778] _cell_length_b [3.2...
0.792582
N/A
N/A
test
original data
P6_3/mmc
3,091
false
5,900
Zr4 Ti2 Sn2 N4
data_[Zr4Ti2Sn2N4] 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 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 [3.1575] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
4,910
false
5,470
Ta8 Al2 C6
data_[Ta8Al2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1365] _cell_length_b [3.1365] _cell_length_c [24.2462] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,689
false
4,557
Nb4 As2 N2
data_[Nb4As2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3027] _cell_length_b [3.3027] _cell_length_c [12.0224] ...
0.292741
N/A
N/A
train
original data
P6_3/mmc
413
false
326
Hf2 Cr4 Ga2 C4
data_[Hf2Cr4Ga2C4] 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 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 [3.0828] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
3,950
false
3,157
Nb4 Ge2 Mo2 N4
data_[Nb4Ge2Mo2N4] 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 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 [3.0204] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
4,524
false
5,425
Zr2 Mn2 In2 C2
data_[Zr2Mn2In2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2165] _cell_length_b [3.2...
0.206284
N/A
N/A
validation
original data
P6_3mc
4,942
false
5,473
Ti4 V4 P2 C6
data_[Ti4V4P2C6] 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 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 [3.0756] _cell_length_b [3.075...
0.792398
N/A
N/A
test
original data
P6_3/mmc
408
false
5,632
Ta4 Mn2 Ga2 C4
data_[Ta4Mn2Ga2C4] 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 [3.1084] _cell_length_b [3...
0.20458
N/A
N/A
train
original data
P6_3/mmc
4,083
false
3,261
Ti6 Cd2 C4
data_[Ti6Cd2C4] 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 [3.0983] _cell_length_b [3.0983] _cell_length_c [19.4579] ...
0.215561
N/A
N/A
train
original data
P6_3/mmc
1,747
false
1,388
V2Tc2B2
data_[V4Tc4B4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Tc 1.9000 1.3500 0.7417 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.0448] _cell_length_b [14.4066] _cell_length_c [3.0014] _cell_...
0.506104
N/A
null
train
synthetic, MP or NOMAD
Cmcm
112
true
4,875
Sc8 Cd2 C6
data_[Sc8Cd2C6] 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 [3.3264] _cell_length_b [3.3264] _cell_length_c [26.7129] ...
0.20519
N/A
N/A
train
original data
P6_3/mmc
4,867
false
3,895
Ta2 Mn2 Tl2 N2
data_[Ta2Mn2Tl2N2] 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 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 [3.0824] _cell_length_b [3.0...
0.236842
N/A
N/A
train
original data
P6_3mc
1,112
false
882
V2 Ge2 W2 N2
data_[V2Ge2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0651] _cell_length_b [3.0651]...
1
N/A
N/A
train
original data
P6_3mc
1,717
false
1,363