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
Hf4 Cr4 P2 N6
data_[Hf4Cr4P2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1904] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,497
false
3,606
Sc4 Al2 Cr2 C4
data_[Sc4Al2Cr2C4] 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 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 [3.0821] _cell_length_b [3...
0.756035
N/A
N/A
train
original data
P6_3/mmc
3,589
false
2,870
Nb2 Cr2 Si2 C2
data_[Nb2Cr2Si2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 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 [3.0460] _cell_length_b [3.0...
0.771066
N/A
N/A
train
original data
P6_3mc
2,601
false
2,074
Hf2 V2 S2 N2
data_[Hf2V2S2N2] 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 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 [3.2468] _cell_length_b [3.2468]...
1
N/A
N/A
train
original data
P6_3mc
2,076
false
1,658
Ti2 Cr2 In2 C2
data_[Ti2Cr2In2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0556] _cell_length_b [3.0...
0.76969
N/A
N/A
train
original data
P6_3mc
3,821
false
3,056
Zr2 Ta2 Ge2 N2
data_[Zr2Ta2Ge2N2] 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_3mc] _cell_length_a [3.2983] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
714
false
568
Ti4 V2 As2 C4
data_[Ti4V2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1224] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3/mmc
3,403
false
2,726
Hf4 Cr4 P2 C6
data_[Hf4Cr4P2C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1875] _cell_length_b [3.1...
0.755117
N/A
N/A
train
original data
P6_3/mmc
5,189
false
4,155
Cr4 W2 C4 S2
data_[Cr4W2C4S2] 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 [3.1352] _cell_length_b [3.135...
0.774854
N/A
N/A
train
original data
P6_3/mmc
4,955
false
3,964
Cr6 Sn2 C4
data_[Cr6Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.0065] _cell_length_b [3.0065] _cell_length_c [17.2916] ...
0.178311
N/A
N/A
train
original data
P6_3/mmc
3,538
false
2,829
Nb4 Si2 Mo4 N6
data_[Nb4Si2Mo4N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0951] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
988
false
792
Sc4 Ta2 Sn2 C4
data_[Sc4Ta2Sn2C4] 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 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 [3.2589] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
2,235
false
1,779
Hf6 Ga2 C4
data_[Hf6Ga2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2968] _cell_length_b [3.2968] _cell_length_c [19.3172] ...
0.19983
N/A
N/A
test
original data
P6_3/mmc
5,286
false
6,102
Cr2 Ge2 W2 N2
data_[Cr2Ge2W2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [3.0686] _cell_length_b [3.068...
1
N/A
N/A
train
original data
P6_3mc
950
false
756
Zr4 Ti2 Al2 C4
data_[Zr4Ti2Al2C4] 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 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 [3.2464] _cell_length_b [3...
0.788031
N/A
N/A
train
original data
P6_3/mmc
3,445
false
2,758
Hf2 Ta2 As2 C2
data_[Hf2Ta2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3634] _cell_length_b [3.3...
0.796139
N/A
N/A
train
original data
P6_3mc
1,986
false
1,584
Ti4 Cr2 Ga2 C4
data_[Ti4Cr2Ga2C4] 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_3/mmc] _cell_length_a [3.0218] _cell_length_b [3...
0.765185
N/A
N/A
train
original data
P6_3/mmc
3,580
false
2,863
Sc4 Nb4 Ga2 N6
data_[Sc4Nb4Ga2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1391] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,379
false
1,900
Si2 Mo4 W4 C6
data_[Si2Mo4W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 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 [3.0893] _cell_length_b [3.0...
0.792398
N/A
N/A
train
original data
P6_3/mmc
106
false
87
Hf4 Cd2 W4 N6
data_[Hf4Cd2W4N6] 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 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 [3.1977] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
1,902
false
1,514
Hf2 Sc2 As2 C2
data_[Hf2Sc2As2C2] 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 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 [3.4181] _cell_length_b [3.4...
0.798068
N/A
N/A
train
original data
P6_3mc
4,600
false
3,692
Ta2 V2 C2 S2
data_[Ta2V2C2S2] 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 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 [3.2356] _cell_length_b [3.2356]...
0.795323
N/A
N/A
train
original data
P6_3mc
4,305
false
3,449
Hf4 Mn2 As2 C4
data_[Hf4Mn2As2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2857] _cell_length_b [3...
0.212957
N/A
N/A
train
original data
P6_3/mmc
4,673
false
3,743
V4 Cr4 Ga2 C6
data_[V4Cr4Ga2C6] 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_3/mmc] _cell_length_a [2.9058] _cell_length_b [2.9...
0.768457
N/A
N/A
train
original data
P6_3/mmc
1,901
false
1,513
V2 Mo2 P2 N2
data_[V2Mo2P2N2] 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 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 [3.0060] _cell_length_b [3.0060]...
1
N/A
N/A
train
original data
P6_3mc
1,695
false
1,344
Zr4 Sc4 S2 N6
data_[Zr4Sc4S2N6] 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 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 [3.2911] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
4,449
false
3,566
Sc6 Sn2 C4
data_[Sc6Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3301] _cell_length_b [3.3301] _cell_length_c [20.8120] ...
0.231371
N/A
N/A
train
original data
P6_3/mmc
101
false
83
Sc4 Tl2 Cr4 N6
data_[Sc4Tl2Cr4N6] 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 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1153] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,822
false
2,254
Zr2 Ti4 P2 N4
data_[Zr2Ti4P2N4] 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 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 [3.1841] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
816
false
644
Mn4 In2 Mo4 N6
data_[Mn4In2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 In 1.7800 1.5500 0.9400 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 [2.9287] _cell_length_b [2...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,785
false
3,833
V2 Cr4 Ga2 N4
data_[V2Cr4Ga2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9348] _cell_length_b [2.9...
1
N/A
N/A
validation
original data
P6_3/mmc
5,622
false
5,536
Nb2 Mo2 As2 C2
data_[Nb2Mo2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Mo 2.1600 1.4500 0.7750 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 [3.2639] _cell_length_b [3.2...
0.792398
N/A
N/A
train
original data
P6_3mc
1,073
false
854
Zr4 Sc4 Si2 N6
data_[Zr4Sc4Si2N6] 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 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 [3.2263] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
968
false
773
Nb2 Cr4 As2 C4
data_[Nb2Cr4As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 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 [3.1333] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
1,495
false
1,185
Ta6 In2 C4
data_[Ta6In2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1330] _cell_length_b [3.1330] _cell_length_c [19.9883] ...
0.229592
N/A
N/A
validation
original data
P6_3/mmc
5,399
false
5,512
Sc4 Cr4 Si2 C6
data_[Sc4Cr4Si2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0077] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
5,008
false
4,006
Sc4 Ta2 Cd2 C4
data_[Sc4Ta2Cd2C4] 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 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 [3.2225] _cell_length_b [3...
0.793833
N/A
N/A
validation
original data
P6_3/mmc
1,117
false
5,072
Hf4 Zr2 S2 N4
data_[Hf4Zr2S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2627] _cell_length_b [3.2...
1
N/A
N/A
validation
original data
P6_3/mmc
5,876
false
5,561
Hf2 Nb4 Tl2 C4
data_[Hf2Nb4Tl2C4] 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 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 [3.2272] _cell_length_b [3...
0.796431
N/A
N/A
train
original data
P6_3/mmc
5,474
false
4,384
Sc4 V2 Ga2 C4
data_[Sc4V2Ga2C4] 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 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 [3.1222] _cell_length_b [3.1...
0.796581
N/A
N/A
train
original data
P6_3/mmc
2,880
false
2,301
Ta2 Mn2 Si2 N2
data_[Ta2Mn2Si2N2] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0514] _cell_length_b [3.0...
0.236842
N/A
N/A
train
original data
P6_3mc
738
false
584
Nb4 Cd2 W2 N4
data_[Nb4Cd2W2N4] 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 [2.9809] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
279
false
218
Ta4 In2 W2 N4
data_[Ta4In2W2N4] 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 [2.9551] _cell_length_b [2.9...
0.99128
N/A
N/A
train
original data
P6_3/mmc
5,322
false
4,262
Nb2 V2 Ge2 N2
data_[Nb2V2Ge2N2] 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 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 [3.1099] _cell_length_b [3.109...
1
N/A
N/A
train
original data
P6_3mc
2,771
false
2,217
Ta4 Mn4 Pb2 N6
data_[Ta4Mn4Pb2N6] 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 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 [3.0109] _cell_length_b [3...
0.270558
N/A
N/A
test
original data
P6_3/mmc
4,840
false
6,053
Hf2 Al2 Mo2 C2
data_[Hf2Al2Mo2C2] 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 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 [3.1374] _cell_length_b [3.1...
0.798068
N/A
N/A
train
original data
P6_3mc
2,348
false
1,873
Sc2 Ti2 Tl2 N2
data_[Sc2Ti2Tl2N2] 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 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 [3.2045] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
2,465
false
1,970
Hf4 Ta2 Si2 C4
data_[Hf4Ta2Si2C4] 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 [3.2412] _cell_length_b [3...
0.793475
N/A
N/A
train
original data
P6_3/mmc
3,683
false
2,950
Ti4 Nb2 Cd2 N4
data_[Ti4Nb2Cd2N4] 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 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 [3.1060] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,352
false
3,483
Ta4 Tl2 Mo4 N6
data_[Ta4Tl2Mo4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9645] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
4,847
false
3,880
Sc4 Nb2 Al2 N4
data_[Sc4Nb2Al2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1681] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,354
false
1,877
Sc4 Ta2 S2 N4
data_[Sc4Ta2S2N4] 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 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 [3.2765] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
4,228
false
3,385
Sc4 Al2 W4 C6
data_[Sc4Al2W4C6] 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_3/mmc] _cell_length_a [3.1173] _cell_length_b [3.1...
0.792398
N/A
N/A
train
original data
P6_3/mmc
884
false
704
Ta2 Nb4 Ga2 C4
data_[Ta2Nb4Ga2C4] 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 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 [3.1190] _cell_length_b [3...
0.792737
N/A
N/A
train
original data
P6_3/mmc
4,248
false
3,403
Hf4 Mn4 In2 N6
data_[Hf4Mn4In2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2001] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
628
false
493
Nb2 V2 Pb2 N2
data_[Nb2V2Pb2N2] 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_3mc] _cell_length_a [3.2063] _cell_length_b [3.206...
1
N/A
N/A
train
original data
P6_3mc
1,283
false
1,018
Hf4 Sc4 Ga2 C6
data_[Hf4Sc4Ga2C6] 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 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 [3.3111] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,603
false
1,274
Hf2 Sc2 Si2 C2
data_[Hf2Sc2Si2C2] 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 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 [3.2870] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3mc
2,521
false
2,010
V2 Cr2 As2 C2
data_[V2Cr2As2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0340] _cell_length_b [3.034...
0.765657
N/A
N/A
train
original data
P6_3mc
2,711
false
2,168
Ta4 Ti4 Tl2 N6
data_[Ta4Ti4Tl2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0246] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,478
false
3,587
Hf4 Si2 W4 C6
data_[Hf4Si2W4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.2023] _cell_length_b [3.2...
0.794017
N/A
N/A
train
original data
P6_3/mmc
5,377
false
4,306
Mn4 Ge2 Mo2 C4
data_[Mn4Ge2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0234] _cell_length_b [3...
0.215838
N/A
N/A
train
original data
P6_3/mmc
987
false
791
Ta2 Mn4 Si2 C4
data_[Ta2Mn4Si2C4] 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 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 [3.0476] _cell_length_b [3...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
3,784
false
5,353
Ti4 Mn4 Pb2 C6
data_[Ti4Mn4Pb2C6] 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 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 [3.0762] _cell_length_b [3...
0.229613
N/A
N/A
train
original data
P6_3/mmc
1,580
false
1,254
V2 As2 W4 N4
data_[V2As2W4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0042] _cell_length_b [3.004...
1
N/A
N/A
train
original data
P6_3/mmc
3,346
false
2,681
Mn2 V4 Ge2 N4
data_[Mn2V4Ge2N4] 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 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9539] _cell_length_b [2.9...
0.307412
N/A
N/A
train
original data
P6_3/mmc
5,150
false
4,125
Ti4 V2 Cd2 C4
data_[Ti4V2Cd2C4] 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 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 [3.0712] _cell_length_b [3.0...
0.797053
N/A
N/A
train
original data
P6_3/mmc
3,772
false
3,019
W8 C6 S2
data_[W8C6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1611] _cell_length_b [3.1611] _cell_length_c [21.9837] _cel...
0.19983
N/A
N/A
validation
original data
P6_3/mmc
3,093
false
5,273
Sc4 Ta4 Pb2 C6
data_[Sc4Ta4Pb2C6] 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 [3.2678] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
1,867
false
1,484
Nb2 Cr2 Sn2 C2
data_[Nb2Cr2Sn2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 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 [3.1539] _cell_length_b [3.1...
0.764627
N/A
N/A
validation
original data
P6_3mc
5,812
false
5,552
Ti4 Tl2 V2 C4
data_[Ti4Tl2V2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Tl 1.6200 1.9000 1.3325 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 [3.1180] _cell_length_b [3.1...
0.797447
N/A
N/A
train
original data
P6_3/mmc
3,305
false
2,645
Sc2 Nb4 Pb2 N4
data_[Sc2Nb4Pb2N4] 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 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 [3.1298] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
528
false
411
Zr4 Mn4 Al2 N6
data_[Zr4Mn4Al2N6] 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_3/mmc] _cell_length_a [3.0811] _cell_length_b [3...
0.272816
N/A
N/A
train
original data
P6_3/mmc
2,532
false
2,017
Cr4 Mo4 Pb2 C6
data_[Cr4Mo4Pb2C6] 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 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 [3.0713] _cell_length_b [3...
0.770625
N/A
N/A
train
original data
P6_3/mmc
5,222
false
4,182
Ta2 Mo4 P2 C4
data_[Ta2Mo4P2C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1367] _cell_length_b [3.1...
0.795989
N/A
N/A
train
original data
P6_3/mmc
1,567
false
1,242
Ta2 Al2 Cr4 N4
data_[Ta2Al2Cr4N4] 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 Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0108] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
1,944
false
1,550
Ta8 In2 C6
data_[Ta8In2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1571] _cell_length_b [3.1571] _cell_length_c [24.9919] ...
0.203338
N/A
N/A
validation
original data
P6_3/mmc
4,653
false
5,442
Sc2 Ti4 Ga2 N4
data_[Sc2Ti4Ga2N4] 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_3/mmc] _cell_length_a [3.0814] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
4,375
false
3,505
Hf2 Tl2 Mo2 N2
data_[Hf2Tl2Mo2N2] 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_3mc] _cell_length_a [3.3374] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
5,449
false
4,364
Zr2 Cr4 Sn2 C4
data_[Zr2Cr4Sn2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1747] _cell_length_b [3...
0.763046
N/A
N/A
train
original data
P6_3/mmc
4,535
false
3,638
Ta2 W4 S2 N4
data_[Ta2W4S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9774] _cell_length_b [2.977...
0.995158
N/A
N/A
train
original data
P6_3/mmc
4,483
false
3,592
Ta4 Nb2 Sn2 N4
data_[Ta4Nb2Sn2N4] 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 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 [3.1592] _cell_length_b [3...
0.994078
N/A
N/A
train
original data
P6_3/mmc
2,428
false
1,941
Zr2 Si2 Mo4 N4
data_[Zr2Si2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 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 [3.1495] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,727
false
2,181
Mo6 Pb2 C4
data_[Mo6Pb2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1894] _cell_length_b [3.1894] _cell_length_c [18.9479] ...
0.21098
N/A
N/A
train
original data
P6_3/mmc
5,672
false
4,543
Ti2 V4 Sn2 N4
data_[Ti2V4Sn2N4] 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 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 [3.0182] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
4,721
false
3,782
Cr6 Ge2 N4
data_[Cr6Ge2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9174] _cell_length_b [2.9174] _cell_length_c [16.5421] ...
0.253415
N/A
N/A
test
original data
P6_3/mmc
3,336
false
5,915
Nb4 Al2 N2
data_[Nb4Al2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0037] _cell_length_b [3.0037] _cell_length_c [14.3850] ...
0.261941
N/A
N/A
train
original data
P6_3/mmc
1,731
false
1,374
Nb8Al2C6
data_[Nb8Al2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1508] _cell_length_b [3.1508] _cell_length_c [24.2687] ...
0.721633
N/A
null
train
synthetic, MP or NOMAD
P6_3/mmc
93
false
4,860
Sc4 Cd2 Mo4 C6
data_[Sc4Cd2Mo4C6] 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 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 [3.1555] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
1,266
false
1,003
Al2 Mo4 C2
data_[Al2Mo4C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0268] _cell_length_b [3.0268] _cell_length_c [13.4551] ...
0.22929
N/A
N/A
validation
original data
P6_3/mmc
1,647
false
5,131
TaBeB
data_[Ta1Be1B1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.2499] _cell_length_b [3.2499] _cell_length_c [3.2461] _cel...
0.817491
N/A
null
validation
synthetic, MP or NOMAD
P-6m2
74
true
5,580
Hf2 Sc2 Tl2 C2
data_[Hf2Sc2Tl2C2] 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 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.3458] _cell_length_b [3.3...
0.797993
N/A
N/A
train
original data
P6_3mc
1,643
false
1,306
Sc4 Mn2 Cd2 N4
data_[Sc4Mn2Cd2N4] 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 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 [3.0924] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
4,179
false
3,342
Ti4 Mo4 P2 N6
data_[Ti4Mo4P2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0112] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3/mmc
1,452
false
5,112
Ta4 Mo4 P2 C6
data_[Ta4Mo4P2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1652] _cell_length_b [3.1...
0.797041
N/A
N/A
train
original data
P6_3/mmc
3,866
false
3,091
Nb4 V2 Sn2 N4
data_[Nb4V2Sn2N4] 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 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 [3.0892] _cell_length_b [3.0...
1
N/A
N/A
train
original data
P6_3/mmc
2,755
false
2,203
Hf2 Ti2 Sn2 C2
data_[Hf2Ti2Sn2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2571] _cell_length_b [3.2...
0.798068
N/A
N/A
test
original data
P6_3mc
248
false
5,618
Hf2 Si2 W4 C4
data_[Hf2Si2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.1500] _cell_length_b [3.1...
0.793013
N/A
N/A
train
original data
P6_3/mmc
2,900
false
2,316
Zr4 Ti2 Ga2 N4
data_[Zr4Ti2Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1547] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
805
false
639
Cd2 Mo8 C6
data_[Cd2Mo8C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1178] _cell_length_b [3.1178] _cell_length_c [24.2119] ...
0.235863
N/A
N/A
train
original data
P6_3/mmc
1,096
false
871