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
Sc4 Mn4 Sn2 N6
data_[Sc4Mn4Sn2N6] 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 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 [3.0835] _cell_length_b [3...
0.254037
N/A
N/A
train
original data
P6_3/mmc
3,903
false
3,118
Nb4 Al2 W2 N4
data_[Nb4Al2W2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9334] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
4,354
false
3,484
Hf4 Zr2 Ga2 C4
data_[Hf4Zr2Ga2C4] 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 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 [3.3146] _cell_length_b [3...
0.793013
N/A
N/A
train
original data
P6_3/mmc
4,344
false
3,476
Sc4 Ta4 Si2 N6
data_[Sc4Ta4Si2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1311] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,550
false
2,033
Ta4 Cr4 In2 N6
data_[Ta4Cr4In2N6] 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 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 [2.9851] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
3,202
false
2,560
Hf2 Ti4 Sn2 N4
data_[Hf2Ti4Sn2N4] 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 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 [3.1407] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,001
false
2,393
B14Co8Nb6
data_[Nb12Co16B28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Co 1.8800 1.3500 0.7683 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.1926] _cell_length_b [18.3271] _cell_length_c [8.8573] _...
0.118817
N/A
null
train
synthetic, MP or NOMAD
Cmcm
270
true
4,951
Nb8 As2 C6
data_[Nb8As2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2171] _cell_length_b [3.2171] _cell_length_c [22.7570] ...
0.219516
N/A
N/A
train
original data
P6_3/mmc
2,796
false
2,234
Nb4 In2 W4 N6
data_[Nb4In2W4N6] 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 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 [3.0838] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,476
false
1,978
Zr4 Cd2 N2
data_[Zr4Cd2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3161] _cell_length_b [3.3161] _cell_length_c [14.8515] ...
0.243178
N/A
N/A
train
original data
P6_3/mmc
3,310
false
2,650
Ta2 V4 Ge2 N4
data_[Ta2V4Ge2N4] 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 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 [3.0389] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3/mmc
3,980
false
5,374
Ta2 Mn2 P2 C2
data_[Ta2Mn2P2C2] 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 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2139] _cell_length_b [3.213...
0.222952
N/A
N/A
train
original data
P6_3mc
1,256
false
993
Ti4 Mo2 P2 C4
data_[Ti4Mo2P2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1723] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
4,012
false
3,207
Nb4 Tl2 C2
data_[Nb4Tl2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2239] _cell_length_b [3.2239] _cell_length_c [14.5260] ...
0.208711
N/A
N/A
train
original data
P6_3/mmc
1,713
false
1,360
Ti2 Mn2 Si2 C2
data_[Ti2Mn2Si2C2] 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 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 [2.9805] _cell_length_b [2.9...
0.19983
N/A
N/A
train
original data
P6_3mc
2,368
false
1,890
Hf4 V4 In2 C6
data_[Hf4V4In2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 V 1.6300 1.3500 0.7775 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1750] _cell_length_b [3.1...
0.796884
N/A
N/A
train
original data
P6_3/mmc
803
false
637
Mn4 Sn2 W4 N6
data_[Mn4Sn2W4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9314] _cell_length_b [2.9...
0.262409
N/A
N/A
train
original data
P6_3/mmc
4,643
false
3,720
Zr2 V2 As2 N2
data_[Zr2V2As2N2] 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_3mc] _cell_length_a [3.2815] _cell_length_b [3.281...
1
N/A
N/A
train
original data
P6_3mc
4,921
false
3,939
Cr2 Si2 W4 C4
data_[Cr2Si2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 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 [3.0129] _cell_length_b [3.0...
0.761634
N/A
N/A
train
original data
P6_3/mmc
4,390
false
3,517
Zr2 Ti4 Tl2 N4
data_[Zr2Ti4Tl2N4] 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 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 [3.1766] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,292
false
2,635
Sc4 V4 Ge2 C6
data_[Sc4V4Ge2C6] 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 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 [3.0968] _cell_length_b [3.0...
0.798068
N/A
N/A
test
original data
P6_3/mmc
5,061
false
6,077
Hf2 Mn4 Cd2 N4
data_[Hf2Mn4Cd2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0447] _cell_length_b [3...
0.307412
N/A
N/A
train
original data
P6_3/mmc
5,194
false
4,159
Sc6 In2 C4
data_[Sc6In2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3488] _cell_length_b [3.3488] _cell_length_c [21.3478] ...
0.21589
N/A
N/A
train
original data
P6_3/mmc
561
false
435
Zr4 Sc2 P2 N4
data_[Zr4Sc2P2N4] 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 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 [3.3326] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3/mmc
1,085
false
862
Zr6 Cd2 C4
data_[Zr6Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3492] _cell_length_b [3.3492] _cell_length_c [20.6704] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
1,516
false
1,203
Cr2 Ga2 Mo4 N4
data_[Cr2Ga2Mo4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8399] _cell_length_b [2...
1
N/A
N/A
validation
original data
P6_3/mmc
2,535
false
5,226
Ta2 Mo2 P2 N2
data_[Ta2Mo2P2N2] 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 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 [3.0990] _cell_length_b [3.099...
1
N/A
N/A
train
original data
P6_3mc
3,632
false
2,906
Ta8 Sn2 N6
data_[Ta8Sn2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1317] _cell_length_b [3.1317] _cell_length_c [24.6033] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,075
false
3,253
Ta4 Nb2 Al2 C4
data_[Ta4Nb2Al2C4] 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 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 [3.1072] _cell_length_b [3...
0.797708
N/A
N/A
train
original data
P6_3/mmc
4,789
false
3,835
Ta4 V4 Sn2 N6
data_[Ta4V4Sn2N6] 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 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 [3.0152] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,443
false
3,561
V2 Cr2 Cd2 C2
data_[V2Cr2Cd2C2] 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 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9587] _cell_length_b [2.958...
0.758779
N/A
N/A
train
original data
P6_3mc
1,737
false
1,379
V4 Cr4 Sn2 C6
data_[V4Cr4Sn2C6] 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 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 [2.9830] _cell_length_b [2.9...
0.764568
N/A
N/A
train
original data
P6_3/mmc
4,544
false
3,647
Mn2 Si2 W2 N2
data_[Mn2Si2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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_3mc] _cell_length_a [2.8194] _cell_length_b [2.819...
0.273967
N/A
N/A
train
original data
P6_3mc
1,792
false
1,424
Mn4 Tl2 N2
data_[Mn4Tl2N2] 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 [3.0405] _cell_length_b [3.0405] _cell_length_c [13.0251] ...
0.000001
N/A
N/A
train
original data
P6_3/mmc
3,348
false
2,683
Mn4 V4 In2 N6
data_[Mn4V4In2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 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 [2.9851] _cell_length_b [2.9...
0.262681
N/A
N/A
train
original data
P6_3/mmc
713
false
567
Hf4 Cr2 C4 S2
data_[Hf4Cr2C4S2] 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_3/mmc] _cell_length_a [3.2863] _cell_length_b [3.2...
0.758785
N/A
N/A
validation
original data
P6_3/mmc
5,175
false
5,492
Mn4 W4 C6 S2
data_[Mn4W4C6S2] 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 [2.9969] _cell_length_b [2.996...
0.208151
N/A
N/A
train
original data
P6_3/mmc
1,797
false
1,429
V6 Ga2 N4
data_[V6Ga2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8987] _cell_length_b [2.8987] _cell_length_c [17.7368] _c...
0.298199
N/A
N/A
train
original data
P6_3/mmc
4,207
false
3,367
Mn2 Cr2 Cd2 C2
data_[Mn2Cr2Cd2C2] 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 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9001] _cell_length_b [2.9...
0.17737
N/A
N/A
train
original data
P6_3mc
4,366
false
3,496
Hf4 Ti2 Sn2 N4
data_[Hf4Ti2Sn2N4] 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 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 [3.1465] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,348
false
4,281
Sc2 Ta4 Pb2 C4
data_[Sc2Ta4Pb2C4] 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 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 [3.2564] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,523
false
2,816
Cr6C4
data_[Cr12C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [2.8155] _cell_length_b [9.2230] _cell_length_c [6.9167] _cell_angle_alpha [90.0000] _cell_an...
0.607212
N/A
null
train
synthetic, MP or NOMAD
Cmcm
115
false
4,877
Zr2 Mn2 Ge2 N2
data_[Zr2Mn2Ge2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2551] _cell_length_b [3.2...
0.29227
N/A
N/A
train
original data
P6_3mc
103
false
85
Sc2 V4 Sn2 N4
data_[Sc2V4Sn2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0855] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
3,015
false
2,405
Zr4 V2 C4 S2
data_[Zr4V2C4S2] 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 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 [3.3096] _cell_length_b [3.309...
0.798068
N/A
N/A
test
original data
P6_3/mmc
2,968
false
5,888
Hf4 Mn2 Cd2 C4
data_[Hf4Mn2Cd2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2074] _cell_length_b [3...
0.203446
N/A
N/A
validation
original data
P6_3/mmc
4,088
false
5,390
Zr4 Ta4 As2 C6
data_[Zr4Ta4As2C6] 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 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 [3.2790] _cell_length_b [3...
0.794556
N/A
N/A
train
original data
P6_3/mmc
1,212
false
958
Mn2 Nb4 In2 C4
data_[Mn2Nb4In2C4] 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 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 [3.1408] _cell_length_b [3...
0.203437
N/A
N/A
train
original data
P6_3/mmc
4,290
false
3,437
Hf4 Nb2 Al2 N4
data_[Hf4Nb2Al2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1554] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,907
false
4,728
Mn4 Mo2 P2 C4
data_[Mn4Mo2P2C4] 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 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 [3.0335] _cell_length_b [3.0...
0.19983
N/A
N/A
train
original data
P6_3/mmc
5,203
false
4,167
Zr4 Mn4 Cd2 C6
data_[Zr4Mn4Cd2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1781] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,827
false
2,258
Sc2 Cr2 Ge2 C2
data_[Sc2Cr2Ge2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0722] _cell_length_b [3.0...
0.766444
N/A
N/A
train
original data
P6_3mc
4,516
false
3,624
Ta2 Nb2 Al2 C2
data_[Ta2Nb2Al2C2] 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 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 [3.1085] _cell_length_b [3.1...
0.797096
N/A
N/A
train
original data
P6_3mc
29
false
25
Hf2 In2 Mo2 C2
data_[Hf2In2Mo2C2] 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 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 [3.2150] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3mc
1,513
false
1,200
Zr4 Nb4 In2 C6
data_[Zr4Nb4In2C6] 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 [3.2673] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
3,363
false
2,696
Zr8 Ge2 C6
data_[Zr8Ge2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3519] _cell_length_b [3.3519] _cell_length_c [24.4790] ...
0.216163
N/A
N/A
train
original data
P6_3/mmc
3,932
false
3,140
Sc4 Cr4 C6 S2
data_[Sc4Cr4C6S2] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1535] _cell_length_b [3.1...
0.760808
N/A
N/A
train
original data
P6_3/mmc
4,294
false
3,440
Zr3Al4C6
data_[Zr9Al12C18] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.3570] _cell_length_b [3.3570] _cell_length_c [49.3052] _c...
0.527253
N/A
null
train
synthetic, MP or NOMAD
R-3m
120
false
4,881
Zr4 In2 W4 C6
data_[Zr4In2W4C6] 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 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 [3.1943] _cell_length_b [3.1...
0.792753
N/A
N/A
train
original data
P6_3/mmc
3,133
false
2,503
V2 Cr2 Ga2 C2
data_[V2Cr2Ga2C2] 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 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 [2.9088] _cell_length_b [2.908...
0.765259
N/A
N/A
train
original data
P6_3mc
1,428
false
1,131
Al2C2Cr4
data_[Al4Cr8C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [2.8234] _cell_length_b [4.9075] _cell_length_c [12.6937] _cel...
0.522839
N/A
null
train
synthetic, MP or NOMAD
Cmcm
64
false
4,840
Ta6 Pb2 C4
data_[Ta6Pb2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1883] _cell_length_b [3.1883] _cell_length_c [19.9548] ...
0.205522
N/A
N/A
train
original data
P6_3/mmc
2,546
false
2,029
Ta4 C2 S2
data_[Ta4C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 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 [3.2989] _cell_length_b [3.2989] _cell_length_c [11.6426] _c...
0.223574
N/A
N/A
train
original data
P6_3/mmc
4,738
false
3,796
Zr2 Al2 Cr2 C2
data_[Zr2Al2Cr2C2] 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 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 [3.0660] _cell_length_b [3.0...
0.755117
N/A
N/A
validation
original data
P6_3mc
1,158
false
5,083
Zr8 C6 S2
data_[Zr8C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [3.3904] _cell_length_b [3.3904] _cell_length_c [23.0159] _c...
0.209673
N/A
N/A
train
original data
P6_3/mmc
4,430
false
3,552
Ta2 Ga2 Mo2 N2
data_[Ta2Ga2Mo2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 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 [2.9497] _cell_length_b [2.9...
1
N/A
N/A
test
original data
P6_3mc
1,686
false
5,764
Zr2 Mn2 Al2 N2
data_[Zr2Mn2Al2N2] 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 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 [3.0615] _cell_length_b [3.0...
0.242579
N/A
N/A
train
original data
P6_3mc
683
false
540
Ta2 Nb2 Tl2 N2
data_[Ta2Nb2Tl2N2] 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 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 [3.2461] _cell_length_b [3.2...
0.99404
N/A
N/A
test
original data
P6_3mc
2,734
false
5,856
Ti4 Cr4 Ge2 C6
data_[Ti4Cr4Ge2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0045] _cell_length_b [3...
0.758237
N/A
N/A
validation
original data
P6_3/mmc
3,397
false
5,308
Sc4 Nb4 Ga2 C6
data_[Sc4Nb4Ga2C6] 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 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 [3.2312] _cell_length_b [3...
0.796999
N/A
N/A
validation
original data
P6_3/mmc
4,348
false
5,412
Zr2 Ti2 Tl2 N2
data_[Zr2Ti2Tl2N2] 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 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 [3.2188] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
1,033
false
821
Ti8Al2C4
data_[Ti16Al4C8] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.1623] _cell_length_b [10.5604] _cell_length_c [11.1662] _c...
0.5457
N/A
null
train
synthetic, MP or NOMAD
Cmcm
145
false
4,897
V2 Sn2 W4 C4
data_[V2Sn2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0856] _cell_length_b [3.085...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,587
false
2,062
Zr2 V2 Pb2 C2
data_[Zr2V2Pb2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3084] _cell_length_b [3.308...
0.793168
N/A
N/A
train
original data
P6_3mc
668
false
530
Zr4 Nb4 Si2 N6
data_[Zr4Nb4Si2N6] 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 [3.2496] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,424
false
4,343
Sc2 Ta2 Pb2 C2
data_[Sc2Ta2Pb2C2] 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 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 [3.3005] _cell_length_b [3.3...
0.792398
N/A
N/A
train
original data
P6_3mc
2,766
false
2,212
Ta8 S2 N6
data_[Ta8S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1259] _cell_length_b [3.1259] _cell_length_c [22.4863] _c...
0.274607
N/A
N/A
train
original data
P6_3/mmc
1,445
false
1,145
Cr6 Ga2 C4
data_[Cr6Ga2C4] 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 [2.8818] _cell_length_b [2.8818] _cell_length_c [17.1944] ...
0.178311
N/A
N/A
train
original data
P6_3/mmc
1,525
false
1,209
Si16C16
data_[Si16C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.0884] _cell_length_b [3.0884] _cell_length_c [40.4314] _cell_angle_alpha [90.0000] _cell_...
0.603281
N/A
null
train
synthetic, MP or NOMAD
P6_3mc
51
false
4,832
Zr4 Ta4 Ga2 N6
data_[Zr4Ta4Ga2N6] 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 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 [3.1258] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,230
false
2,584
Sc2 Mo4 Pb2 C4
data_[Sc2Mo4Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2175] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
4,195
false
3,357
Sc4 Al2 N2
data_[Sc4Al2N2] 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 [3.1997] _cell_length_b [3.1997] _cell_length_c [14.5215] ...
0.306989
N/A
N/A
train
original data
P6_3/mmc
5,773
false
4,623
Hf4 Ta2 Al2 N4
data_[Hf4Ta2Al2N4] 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 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 [3.1490] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,014
false
810
Ta2 Cr2 P2 C2
data_[Ta2Cr2P2C2] 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 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2032] _cell_length_b [3.203...
0.766196
N/A
N/A
train
original data
P6_3mc
3,174
false
2,539
Mn2 Nb2 Ge2 C2
data_[Mn2Nb2Ge2C2] 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_3mc] _cell_length_a [3.1308] _cell_length_b [3.1...
0.19983
N/A
N/A
train
original data
P6_3mc
1,845
false
1,470
Sc2 Mn2 P2 N2
data_[Sc2Mn2P2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2161] _cell_length_b [3.216...
0.236842
N/A
N/A
train
original data
P6_3mc
3,748
false
3,000
Hf4 V4 C6 S2
data_[Hf4V4C6S2] 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 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 [3.2260] _cell_length_b [3.226...
0.792398
N/A
N/A
train
original data
P6_3/mmc
728
false
577
Hf4 Cr2 Ge2 N4
data_[Hf4Cr2Ge2N4] 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 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 [3.1916] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,614
false
4,497
Zr2 Tl2 Cr4 C4
data_[Zr2Tl2Cr4C4] 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 [3.1753] _cell_length_b [3...
0.757567
N/A
N/A
validation
original data
P6_3/mmc
1,309
false
5,096
Sc4 Cr4 P2 C6
data_[Sc4Cr4P2C6] 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 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 [3.1674] _cell_length_b [3.1...
0.758087
N/A
N/A
train
original data
P6_3/mmc
2,104
false
1,681
Sc2 V2 S2 N2
data_[Sc2V2S2N2] 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 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 [3.2140] _cell_length_b [3.2140]...
1
N/A
N/A
train
original data
P6_3mc
3,320
false
2,659
Ti4 P2 W4 C6
data_[Ti4P2W4C6] 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 [3.0847] _cell_length_b [3.084...
0.798068
N/A
N/A
train
original data
P6_3/mmc
65
false
52
V2 As2 W2 C2
data_[V2As2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [3.1612] _cell_length_b [3.1612]...
0.797933
N/A
N/A
train
original data
P6_3mc
1,003
false
803
Hf4 Sn2 C2
data_[Hf4Sn2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3388] _cell_length_b [3.3388] _cell_length_c [14.5068] ...
0.211505
N/A
N/A
train
original data
P6_3/mmc
4,049
false
3,235
Hf2 Al2 W4 N4
data_[Hf2Al2W4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0677] _cell_length_b [3.0...
1
N/A
N/A
test
original data
P6_3/mmc
5,798
false
6,159
Zr2 Cr4 As2 C4
data_[Zr2Cr4As2C4] 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 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 [3.1700] _cell_length_b [3...
0.760507
N/A
N/A
train
original data
P6_3/mmc
841
false
666
Nb2 V4 As2 N4
data_[Nb2V4As2N4] 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 [3.0765] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
1,423
false
1,129
Sc2 Al2 W2 C2
data_[Sc2Al2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0563] _cell_length_b [3.056...
0.797684
N/A
N/A
test
original data
P6_3mc
2,798
false
5,866
Hf2 Ta4 Tl2 N4
data_[Hf2Ta4Tl2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1260] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
777
false
616
Sc2 Ti2 Ga2 N2
data_[Sc2Ti2Ga2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1022] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
3,369
false
2,701