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
Nb2 Tl2 V2 N2
data_[Nb2Tl2V2N2] 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 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1690] _cell_length_b [3.169...
1
N/A
N/A
train
original data
P6_3mc
3,565
false
2,852
Zr4 V2 Pb2 N4
data_[Zr4V2Pb2N4] 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 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 [3.1998] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,736
false
3,794
Nb2 Sn2 Mo2 C2
data_[Nb2Sn2Mo2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2255] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3mc
5,962
false
4,773
Hf4 Tl2 Mo4 N6
data_[Hf4Tl2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2201] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,030
false
3,221
Hf4 Cr4 Si2 N6
data_[Hf4Cr4Si2N6] 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 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 [3.1001] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
422
false
335
Ti2 Nb4 S2 N4
data_[Ti2Nb4S2N4] 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 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 [3.0978] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,954
false
3,159
Hf4 V4 Cd2 N6
data_[Hf4V4Cd2N6] 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 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 [3.1020] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
1,762
false
1,399
Ti4 Mo4 C6 S2
data_[Ti4Mo4C6S2] 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 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 [3.1386] _cell_length_b [3.1...
0.795361
N/A
N/A
validation
original data
P6_3/mmc
3,666
false
5,340
Zr4 Ga2 Mo2 N4
data_[Zr4Ga2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ga 1.8100 1.3000 0.7600 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 [3.2173] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,687
false
3,754
Zr4 Ta2 P2 N4
data_[Zr4Ta2P2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2797] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
4,611
false
3,699
Hf2 Mn4 As2 N4
data_[Hf2Mn4As2N4] 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 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 [3.1960] _cell_length_b [3...
0.306756
N/A
N/A
validation
original data
P6_3/mmc
3,203
false
5,284
V8 Si2 N6
data_[V8Si2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9284] _cell_length_b [2.9284] _cell_length_c [21.5953] _c...
0.28824
N/A
N/A
train
original data
P6_3/mmc
5,477
false
4,387
Sc4 Mn2 Al2 C4
data_[Sc4Mn2Al2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0953] _cell_length_b [3...
0.228693
N/A
N/A
train
original data
P6_3/mmc
5,741
false
4,600
Sc4 Ti2 Pb2 N4
data_[Sc4Ti2Pb2N4] 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 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 [3.2143] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,032
false
3,223
Zr4 Ge2 Mo4 C6
data_[Zr4Ge2Mo4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ge 2.0100 1.2500 0.7700 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 [3.2230] _cell_length_b [3...
0.796676
N/A
N/A
test
original data
P6_3/mmc
441
false
5,635
Sc4 Ti4 In2 C6
data_[Sc4Ti4In2C6] 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 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 [3.2297] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
481
false
380
Nb4 V4 Pb2 N6
data_[Nb4V4Pb2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0370] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3/mmc
4,052
false
5,385
Sc2 Tl2 Mo4 C4
data_[Sc2Tl2Mo4C4] 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 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 [3.1563] _cell_length_b [3...
0.797854
N/A
N/A
train
original data
P6_3/mmc
4,896
false
3,920
Mn2 Ge2 W2 C2
data_[Mn2Ge2W2C2] 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_3mc] _cell_length_a [3.0527] _cell_length_b [3.052...
0.202761
N/A
N/A
train
original data
P6_3mc
956
false
761
Hf2 Ta2 S2 N2
data_[Hf2Ta2S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2987] _cell_length_b [3.298...
1
N/A
N/A
train
original data
P6_3mc
3,070
false
2,454
Sc4 Mn2 Si2 C4
data_[Sc4Mn2Si2C4] 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 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 [3.0908] _cell_length_b [3...
0.21734
N/A
N/A
validation
original data
P6_3/mmc
5,007
false
5,482
Ti4 Mn2 Sn2 N4
data_[Ti4Mn2Sn2N4] 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 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 [3.0968] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
174
false
140
Zr4 Pb2 W2 N4
data_[Zr4Pb2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Pb 2.3300 1.8000 1.1225 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 [3.2494] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
1,899
false
1,511
Hf4 In2 W2 N4
data_[Hf4In2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 In 1.7800 1.5500 0.9400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1858] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
5,848
false
4,680
Sc6 Al2 N4
data_[Sc6Al2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1918] _cell_length_b [3.1918] _cell_length_c [19.7435] ...
0.274559
N/A
N/A
train
original data
P6_3/mmc
5,598
false
4,484
Ti4 Cr4 Pb2 N6
data_[Ti4Cr4Pb2N6] 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 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 [3.0446] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,181
false
3,344
Zr2 Ti4 Sn2 N4
data_[Zr2Ti4Sn2N4] 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 [3.1645] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,983
false
3,182
Hf4 Zr2 As2 C4
data_[Hf4Zr2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.4031] _cell_length_b [3...
0.794305
N/A
N/A
train
original data
P6_3/mmc
4,451
false
3,568
Hf8 Ga2 N6
data_[Hf8Ga2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2017] _cell_length_b [3.2017] _cell_length_c [24.4940] ...
0.272044
N/A
N/A
train
original data
P6_3/mmc
6,000
false
4,801
Zr4 Cr2 In2 C4
data_[Zr4Cr2In2C4] 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 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 [3.2334] _cell_length_b [3...
0.774854
N/A
N/A
test
original data
P6_3/mmc
5,887
false
6,166
Ta4 Cr2 Ge2 C4
data_[Ta4Cr2Ge2C4] 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 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 [3.1137] _cell_length_b [3...
0.769541
N/A
N/A
train
original data
P6_3/mmc
658
false
521
Cr6 Cd2 N4
data_[Cr6Cd2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9128] _cell_length_b [2.9128] _cell_length_c [17.9464] ...
0.29069
N/A
N/A
test
original data
P6_3/mmc
2,286
false
5,816
Zr2 Nb4 Ge2 C4
data_[Zr2Nb4Ge2C4] 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 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 [3.2478] _cell_length_b [3...
0.797203
N/A
N/A
validation
original data
P6_3/mmc
80
false
4,967
Zr4 Nb2 In2 C4
data_[Zr4Nb2In2C4] 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 [3.3180] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,277
false
2,625
V4 Cr2 S2 N4
data_[V4Cr2S2N4] 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 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 [2.9718] _cell_length_b [2.971...
1
N/A
N/A
test
original data
P6_3/mmc
3,920
false
5,971
Sc6Cr2C6
data_[Sc6Cr2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.3670] _cell_length_b [4.7122] _cell_length_c [6.3674] _ce...
0.645473
N/A
null
train
synthetic, MP or NOMAD
Cmcm
103
false
4,867
Hf4 Mo2 P2 C4
data_[Hf4Mo2P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3262] _cell_length_b [3.3...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
4,667
false
5,446
Sc2 W2 S2 N2
data_[Sc2W2S2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2059] _cell_length_b [3.2059]...
1
N/A
N/A
train
original data
P6_3mc
3,368
false
2,700
Ta2 Mn2 As2 C2
data_[Ta2Mn2As2C2] 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_3mc] _cell_length_a [3.2392] _cell_length_b [3.2...
0.223509
N/A
N/A
train
original data
P6_3mc
1,780
false
1,414
Ti4 Ga2 Mo2 N4
data_[Ti4Ga2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ga 1.8100 1.3000 0.7600 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 [3.0335] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,894
false
3,113
Ti2 Mn2 Sn2 N2
data_[Ti2Mn2Sn2N2] 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 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 [3.1522] _cell_length_b [3.1...
0.252643
N/A
N/A
test
original data
P6_3mc
261
false
5,620
Hf2 Ta4 Si2 C4
data_[Hf2Ta4Si2C4] 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 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 [3.2084] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,266
false
4,217
Mn4 Cr2 As2 C4
data_[Mn4Cr2As2C4] 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 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9571] _cell_length_b [2...
0.168729
N/A
N/A
validation
original data
P6_3/mmc
3,895
false
5,366
Cr4 Ga2 Mo4 C6
data_[Cr4Ga2Mo4C6] 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 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 [3.0380] _cell_length_b [3...
0.763107
N/A
N/A
train
original data
P6_3/mmc
984
false
788
Hf4 Al2 C2
data_[Hf4Al2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2720] _cell_length_b [3.2720] _cell_length_c [14.3838] ...
0.207398
N/A
N/A
train
original data
P6_3/mmc
2,263
false
1,799
Al2 V2 Mo4 N4
data_[Al2V2Mo4N4] 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 [2.8875] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
5,567
false
4,462
Hf4 Cr2 Pb2 N4
data_[Hf4Cr2Pb2N4] 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 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 [3.2716] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,868
false
3,093
Ti4 In2 Mo4 N6
data_[Ti4In2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 In 1.7800 1.5500 0.9400 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 [3.0932] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,210
false
2,565
Al2 Cr2 Mo4 C4
data_[Al2Cr2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9725] _cell_length_b [2...
0.77111
N/A
N/A
train
original data
P6_3/mmc
5,483
false
4,392
V6 Pb2 N4
data_[V6Pb2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0801] _cell_length_b [3.0801] _cell_length_c [17.8962] _c...
0.293512
N/A
N/A
train
original data
P6_3/mmc
2,448
false
1,956
Zr4 Pb2 W2 C4
data_[Zr4Pb2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Pb 2.3300 1.8000 1.1225 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 [3.3006] _cell_length_b [3.3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,479
false
4,389
Cr2 Ga2 Mo4 C4
data_[Cr2Ga2Mo4C4] 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 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 [2.9868] _cell_length_b [2...
0.755117
N/A
N/A
validation
original data
P6_3/mmc
5,572
false
5,529
Zr2 Cr4 Ga2 C4
data_[Zr2Cr4Ga2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0965] _cell_length_b [3...
0.755117
N/A
N/A
test
original data
P6_3/mmc
464
false
5,639
Zr4 Cr2 Ga2 N4
data_[Zr4Cr2Ga2N4] 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 [3.1856] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,826
false
2,257
Hf2 Ta2 Ga2 N2
data_[Hf2Ta2Ga2N2] 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 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 [3.1254] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
308
false
244
Sc2 Ga2 W2 C2
data_[Sc2Ga2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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_3mc] _cell_length_a [3.0775] _cell_length_b [3.077...
0.796335
N/A
N/A
validation
original data
P6_3mc
4,313
false
5,407
Hf2 Mn4 In2 C4
data_[Hf2Mn4In2C4] 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 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 [3.1063] _cell_length_b [3...
0.227595
N/A
N/A
train
original data
P6_3/mmc
476
false
376
Nb4 V2 Ga2 N4
data_[Nb4V2Ga2N4] 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 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 [3.0169] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,413
false
3,536
Zr2 Ti4 Pb2 C4
data_[Zr2Ti4Pb2C4] 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 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 [3.2645] _cell_length_b [3...
0.783452
N/A
N/A
train
original data
P6_3/mmc
4,495
false
3,604
Hf2 Cr2 C2 S2
data_[Hf2Cr2C2S2] 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 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 [3.2433] _cell_length_b [3.243...
0.75544
N/A
N/A
train
original data
P6_3mc
1,501
false
1,190
Ta2 V2 S2 N2
data_[Ta2V2S2N2] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2114] _cell_length_b [3.2114]...
1
N/A
N/A
train
original data
P6_3mc
49
false
41
Sc2 Cr4 In2 N4
data_[Sc2Cr4In2N4] 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 [3.0650] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,049
false
1,637
Mn4 Ge2 W2 N4
data_[Mn4Ge2W2N4] 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 [2.9722] _cell_length_b [2.9...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
1,671
false
5,134
Sn2 Mo4 W4 N6
data_[Sn2Mo4W4N6] 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 [2.8930] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
3,484
false
2,790
Hf2 Cd2 Mo4 C4
data_[Hf2Cd2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cd 1.6900 1.5500 1.0900 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 [3.0979] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,337
false
1,863
Ti8 Pb2 N6
data_[Ti8Pb2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0710] _cell_length_b [3.0710] _cell_length_c [24.0095] ...
0.287524
N/A
N/A
train
original data
P6_3/mmc
1,529
false
1,212
Ta4 Al2 Mo4 N6
data_[Ta4Al2Mo4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9142] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
4,901
false
3,924
Zr2 Mn2 Pb2 N2
data_[Zr2Mn2Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3030] _cell_length_b [3.3...
0.246449
N/A
N/A
train
original data
P6_3mc
92
false
74
Ta2 Cd2 Mo4 C4
data_[Ta2Cd2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [3.0751] _cell_length_b [3...
0.798068
N/A
N/A
validation
original data
P6_3/mmc
4,642
false
5,440
Ta2 V2 In2 C2
data_[Ta2V2In2C2] 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 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 [3.1055] _cell_length_b [3.105...
0.798068
N/A
N/A
train
original data
P6_3mc
1,095
false
870
Ti4 P2 W2 C4
data_[Ti4P2W2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1690] _cell_length_b [3.169...
0.798068
N/A
N/A
test
original data
P6_3/mmc
3,608
false
5,938
Hf2 Zr2 P2 N2
data_[Hf2Zr2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3853] _cell_length_b [3.385...
1
N/A
N/A
train
original data
P6_3mc
1,338
false
1,062
Hf4 V4 Ga2 N6
data_[Hf4V4Ga2N6] 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 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 [3.1031] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
955
false
760
Cr2 Cd2 W2 C2
data_[Cr2Cd2W2C2] 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 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9860] _cell_length_b [2.986...
0.764223
N/A
N/A
test
original data
P6_3mc
1,103
false
5,709
Nb4 Al2 W2 C4
data_[Nb4Al2W2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0891] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,504
false
1,998
Cr2 Mo4 C4 S2
data_[Cr2Mo4C4S2] 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 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 [3.0413] _cell_length_b [3.0...
0.757437
N/A
N/A
train
original data
P6_3/mmc
2,811
false
2,244
Cr2 P2 W4 C4
data_[Cr2P2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0358] _cell_length_b [3.035...
0.772703
N/A
N/A
train
original data
P6_3/mmc
5,910
false
4,731
Mn2 Pb2 W4 N4
data_[Mn2Pb2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [3.0399] _cell_length_b [3.0...
0.307412
N/A
N/A
train
original data
P6_3/mmc
5,013
false
4,011
Nb4 Si2 W2 N4
data_[Nb4Si2W2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9760] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
3,042
false
2,429
Zr2 Nb4 Ge2 N4
data_[Zr2Nb4Ge2N4] 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 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 [3.1713] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,113
false
4,095
Hf4 Cr4 Ga2 N6
data_[Hf4Cr4Ga2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1149] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,248
false
1,788
Ta4 Ti2 As2 N4
data_[Ta4Ti2As2N4] 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 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 [3.1134] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,537
false
2,021
Zr4 Ta4 Ge2 N6
data_[Zr4Ta4Ge2N6] 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 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 [3.1635] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
259
false
204
Zr2 Sc2 Sn2 C2
data_[Zr2Sc2Sn2C2] 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 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3702] _cell_length_b [3.3...
0.797798
N/A
N/A
test
original data
P6_3mc
3,395
false
5,919
Sc4 V4 Sn2 C6
data_[Sc4V4Sn2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1718] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
640
false
504
Mo4 As2 W4 N6
data_[Mo4As2W4N6] 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 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 [2.8821] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
3,376
false
2,707
V2 Mo2 As2 C2
data_[V2Mo2As2C2] 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 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 [3.1398] _cell_length_b [3.139...
0.797819
N/A
N/A
test
original data
P6_3mc
1,718
false
5,768
Ta2 Mn2 As2 N2
data_[Ta2Mn2As2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2658] _cell_length_b [3.2...
0.236842
N/A
N/A
train
original data
P6_3mc
159
false
126
Nb4 V4 Si2 C6
data_[Nb4V4Si2C6] 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 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 [3.0894] _cell_length_b [3.0...
0.796758
N/A
N/A
train
original data
P6_3/mmc
451
false
358
Ge2 Mo8 C6
data_[Ge2Mo8C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1377] _cell_length_b [3.1377] _cell_length_c [22.6679] ...
0.201866
N/A
N/A
train
original data
P6_3/mmc
4,626
false
3,709
Al2 Mo2 W4 C4
data_[Al2Mo2W4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0452] _cell_length_b [3.0...
0.797104
N/A
N/A
train
original data
P6_3/mmc
1,082
false
861
Mo4 P2 W2 C4
data_[Mo4P2W2C4] 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 [3.1177] _cell_length_b [3.117...
0.796917
N/A
N/A
train
original data
P6_3/mmc
5,225
false
4,185
Sc4 C2 S2
data_[Sc4C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.4334] _cell_length_b [3.4334] _cell_length_c [11.9210] _c...
0.213929
N/A
N/A
train
original data
P6_3/mmc
4,459
false
3,573
Hf4 Cr4 Cd2 N6
data_[Hf4Cr4Cd2N6] 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 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 [3.1267] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,214
false
3,374
Ta4 In2 W4 N6
data_[Ta4In2W4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9160] _cell_length_b [2.9...
0.987991
N/A
N/A
train
original data
P6_3/mmc
2,004
false
1,600
Mn2 Sn2 Mo4 C4
data_[Mn2Sn2Mo4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1433] _cell_length_b [3...
0.227362
N/A
N/A
train
original data
P6_3/mmc
895
false
713
Hf2 Sc4 Al2 C4
data_[Hf2Sc4Al2C4] 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_3/mmc] _cell_length_a [3.2795] _cell_length_b [3...
0.795344
N/A
N/A
train
original data
P6_3/mmc
2,633
false
2,101
Ta4 Ti2 Cd2 N4
data_[Ta4Ti2Cd2N4] 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 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 [3.0245] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,271
false
2,622
Hf4 Zr4 Pb2 N6
data_[Hf4Zr4Pb2N6] 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 [3.2674] _cell_length_b [3...
1
N/A
N/A
test
original data
P6_3/mmc
2,165
false
5,805
Zr4 Ta2 In2 N4
data_[Zr4Ta2In2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 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...
1
N/A
N/A
train
original data
P6_3/mmc
5,908
false
4,729