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
Ta4 Ga2 C2
data_[Ta4Ga2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1230] _cell_length_b [3.1230] _cell_length_c [13.6449] ...
0.210659
N/A
N/A
test
original data
P6_3/mmc
1,638
false
5,757
Nb2 Ga2 Mo4 N4
data_[Nb2Ga2Mo4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 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_3/mmc] _cell_length_a [2.9208] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
5,736
false
4,596
Ta2 Tl2 Mo4 N4
data_[Ta2Tl2Mo4N4] 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 [3.1697] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
1,026
false
5,062
Mn4 Cd2 Mo2 N4
data_[Mn4Cd2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9371] _cell_length_b [2...
0.275495
N/A
N/A
train
original data
P6_3/mmc
4,381
false
3,510
Nb2 Al2 W4 N4
data_[Nb2Al2W4N4] 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 [2.8724] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
3,235
false
2,589
Nb2 Cd2 W2 C2
data_[Nb2Cd2W2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1269] _cell_length_b [3.126...
0.798068
N/A
N/A
train
original data
P6_3mc
3,863
false
3,088
Ta4 Cd2 Mo2 N4
data_[Ta4Cd2Mo2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9706] _cell_length_b [2...
1
N/A
N/A
train
original data
P6_3/mmc
4,501
false
3,610
Sc4 V2 Cd2 N4
data_[Sc4V2Cd2N4] 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 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 [3.1175] _cell_length_b [3.1...
1
N/A
N/A
validation
original data
P6_3/mmc
3,504
false
5,322
Ti2 Mo4 P2 N4
data_[Ti2Mo4P2N4] 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 [3.0469] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3/mmc
5,004
false
5,481
Sc2 Nb4 Tl2 N4
data_[Sc2Nb4Tl2N4] 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 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 [3.0976] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
2,990
false
2,385
V2 Cr4 Cd2 C4
data_[V2Cr4Cd2C4] 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_3/mmc] _cell_length_a [2.9137] _cell_length_b [2.9...
0.762604
N/A
N/A
train
original data
P6_3/mmc
2,393
false
1,911
Y2Si2Ru4C2
data_[Y4Si4Ru8C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Si 1.9000 1.1000 0.5400 Ru 2.2000 1.3000 0.6610 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.8144] _cell_length_b [11.1212...
0.896245
N/A
null
train
synthetic, MP or NOMAD
Cmcm
43
false
4,828
Zr2 Mn2 Cd2 N2
data_[Zr2Mn2Cd2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1881] _cell_length_b [3.1...
0.236842
N/A
N/A
validation
original data
P6_3mc
2,621
false
5,235
Hf4 Nb2 As2 C4
data_[Hf4Nb2As2C4] 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 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 [3.3510] _cell_length_b [3...
0.796025
N/A
N/A
train
original data
P6_3/mmc
1,980
false
1,579
Ta4 Ti2 Ga2 N4
data_[Ta4Ti2Ga2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0124] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
2,197
false
5,190
Hf2 Pb2 W4 C4
data_[Hf2Pb2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [3.1934] _cell_length_b [3.1...
0.795278
N/A
N/A
train
original data
P6_3/mmc
1,184
false
935
Ta2 Mn4 P2 N4
data_[Ta2Mn4P2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1361] _cell_length_b [3.1...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,301
false
4,247
Sc2 Mn2 P2 C2
data_[Sc2Mn2P2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1243] _cell_length_b [3.124...
0.19983
N/A
N/A
train
original data
P6_3mc
3,390
false
2,720
Sc4 Mn2 Pb2 N4
data_[Sc4Mn2Pb2N4] 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 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 [3.1731] _cell_length_b [3...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,024
false
1,616
V2 Cr4 Ga2 C4
data_[V2Cr4Ga2C4] 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 [2.8831] _cell_length_b [2.8...
0.766595
N/A
N/A
train
original data
P6_3/mmc
5,890
false
4,713
V4 Cr2 In2 N4
data_[V4Cr2In2N4] 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 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 [2.9590] _cell_length_b [2.9...
1
N/A
N/A
validation
original data
P6_3/mmc
2,964
false
5,263
Ti4 Ga2 C2
data_[Ti4Ga2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0791] _cell_length_b [3.0791] _cell_length_c [13.4332] ...
0.19983
N/A
N/A
train
original data
P6_3/mmc
4,335
false
3,470
Mn4 Cr4 Cd2 C6
data_[Mn4Cr4Cd2C6] 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_3/mmc] _cell_length_a [2.9278] _cell_length_b [2...
0.17252
N/A
N/A
train
original data
P6_3/mmc
4,993
false
3,996
Ta4 Mn2 Pb2 N4
data_[Ta4Mn2Pb2N4] 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 [3.1035] _cell_length_b [3...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
2,173
false
5,187
Zr2 Ti2 Al2 C2
data_[Zr2Ti2Al2C2] 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_3mc] _cell_length_a [3.1905] _cell_length_b [3.1...
0.78895
N/A
N/A
test
original data
P6_3mc
1,584
false
5,752
Zr8 S2 N6
data_[Zr8S2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.3047] _cell_length_b [3.3047] _cell_length_c [22.7862] _c...
0.249969
N/A
N/A
validation
original data
P6_3/mmc
2,999
false
5,269
Zr2 Cd2 Mo2 C2
data_[Zr2Cd2Mo2C2] 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 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 [3.1940] _cell_length_b [3.1...
0.793217
N/A
N/A
test
original data
P6_3mc
4,175
false
5,993
Sn2 W8 C6
data_[Sn2W8C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [3.1682] _cell_length_b [3.1682] _cell_length_c [23.5961] _c...
0.205454
N/A
N/A
train
original data
P6_3/mmc
3,921
false
3,131
Mn2 Cr4 Sn2 N4
data_[Mn2Cr4Sn2N4] 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 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 [3.0097] _cell_length_b [3...
0.249274
N/A
N/A
train
original data
P6_3/mmc
5,691
false
4,559
Hf2 Ti4 P2 C4
data_[Hf2Ti4P2C4] 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 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 [3.2362] _cell_length_b [3.2...
0.798068
N/A
N/A
train
original data
P6_3/mmc
5,195
false
4,160
Hf4 Sc4 In2 C6
data_[Hf4Sc4In2C6] 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 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 [3.3355] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,212
false
1,761
Hf4 Zr4 Ga2 N6
data_[Hf4Zr4Ga2N6] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2253] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,435
false
2,752
Mn4 Al2 V2 N4
data_[Mn4Al2V2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8435] _cell_length_b [2.8...
0.236842
N/A
N/A
train
original data
P6_3/mmc
3,849
false
3,077
Hf4 Nb2 Ge2 N4
data_[Hf4Nb2Ge2N4] 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 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 [3.1963] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,915
false
4,735
Zr2 Ga2 Mo4 C4
data_[Zr2Ga2Mo4C4] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1150] _cell_length_b [3...
0.795213
N/A
N/A
train
original data
P6_3/mmc
5,314
false
4,255
Zr2 Mo2 As2 N2
data_[Zr2Mo2As2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mo 2.1600 1.4500 0.7750 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 [3.3555] _cell_length_b [3.3...
1
N/A
N/A
train
original data
P6_3mc
982
false
786
Mn4 Si2 Mo2 N4
data_[Mn4Si2Mo2N4] 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 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 [2.8176] _cell_length_b [2...
0.272908
N/A
N/A
train
original data
P6_3/mmc
3,729
false
2,984
Zr4 Mo2 As2 C4
data_[Zr4Mo2As2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mo 2.1600 1.4500 0.7750 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 [3.3547] _cell_length_b [3...
0.797078
N/A
N/A
train
original data
P6_3/mmc
4,710
false
3,773
Mn2 Cr4 As2 C4
data_[Mn2Cr4As2C4] 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 [2.9866] _cell_length_b [2...
0.168729
N/A
N/A
train
original data
P6_3/mmc
5,415
false
4,335
Sc2 Tl2 W2 C2
data_[Sc2Tl2W2C2] 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 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 [3.1902] _cell_length_b [3.190...
0.792398
N/A
N/A
train
original data
P6_3mc
1,323
false
1,050
Sc4 Ga2 N2
data_[Sc4Ga2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2132] _cell_length_b [3.2132] _cell_length_c [14.1316] ...
0.288138
N/A
N/A
train
original data
P6_3/mmc
5,602
false
4,488
Mn2 Al2 V4 N4
data_[Mn2Al2V4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8807] _cell_length_b [2.8...
0.269637
N/A
N/A
train
original data
P6_3/mmc
5,555
false
4,452
Sc4 Tl2 Mo2 C4
data_[Sc4Tl2Mo2C4] 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 [3.2284] _cell_length_b [3...
0.794823
N/A
N/A
train
original data
P6_3/mmc
4,694
false
3,760
Mn4 Al2 V4 N6
data_[Mn4Al2V4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8899] _cell_length_b [2.8...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,012
false
4,010
Sc6 As2 N4
data_[Sc6As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.2588] _cell_length_b [3.2588] _cell_length_c [18.0735] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
2,021
false
1,614
Ta2 Ti4 Si2 N4
data_[Ta2Ti4Si2N4] 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 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 [3.0474] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,947
false
4,761
Sc2 V2 In2 N2
data_[Sc2V2In2N2] 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 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1124] _cell_length_b [3.112...
1
N/A
N/A
train
original data
P6_3mc
2,237
false
1,780
Ta2 Nb2 Si2 C2
data_[Ta2Nb2Si2C2] 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 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 [3.2203] _cell_length_b [3.2...
0.793016
N/A
N/A
train
original data
P6_3mc
4,155
false
3,324
V4 Ga2 Mo2 N4
data_[V4Ga2Mo2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.8493] _cell_length_b [2.8...
1
N/A
N/A
train
original data
P6_3/mmc
4,336
false
3,471
Ta4 V4 Ge2 N6
data_[Ta4V4Ge2N6] 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 [2.9837] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
299
false
236
Mn2 Cr4 Ge2 C4
data_[Mn2Cr4Ge2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9480] _cell_length_b [2...
0.170703
N/A
N/A
validation
original data
P6_3/mmc
4,879
false
5,467
Ti2 Nb2 C2 S2
data_[Ti2Nb2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2594] _cell_length_b [3.259...
0.798068
N/A
N/A
train
original data
P6_3mc
1,194
false
944
Mn2 Tl2 Cr4 N4
data_[Mn2Tl2Cr4N4] 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 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 [3.0115] _cell_length_b [3...
0.301232
N/A
N/A
train
original data
P6_3/mmc
2,066
false
1,651
Zr4 Ga2 C2
data_[Zr4Ga2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3329] _cell_length_b [3.3329] _cell_length_c [14.2711] ...
0.19983
N/A
N/A
validation
original data
P6_3/mmc
385
false
5,000
Hf2 Cr2 Sn2 N2
data_[Hf2Cr2Sn2N2] 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 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 [3.2532] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3mc
200
false
158
Sc2 Cr4 C4 S2
data_[Sc2Cr4C4S2] 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 [3.1642] _cell_length_b [3.1...
0.759366
N/A
N/A
train
original data
P6_3/mmc
4,015
false
3,210
Hf4 Cr4 As2 N6
data_[Hf4Cr4As2N6] 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 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 [3.1468] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,139
false
2,509
Nb4 Sn2 N2
data_[Nb4Sn2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2636] _cell_length_b [3.2636] _cell_length_c [13.6656] ...
0.236842
N/A
N/A
train
original data
P6_3/mmc
5,999
false
4,800
Mn2 V2 Ge2 C2
data_[Mn2V2Ge2C2] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9878] _cell_length_b [2.987...
0.236842
N/A
N/A
validation
original data
P6_3mc
1,395
false
5,105
Zr2 Nb4 Tl2 N4
data_[Zr2Nb4Tl2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1621] _cell_length_b [3...
1
N/A
N/A
validation
original data
P6_3/mmc
5,820
false
5,553
Zr2 Ti2 S2 N2
data_[Zr2Ti2S2N2] 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 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 [3.2762] _cell_length_b [3.276...
1
N/A
N/A
train
original data
P6_3mc
3,228
false
2,582
Ti2 Nb4 Ge2 C4
data_[Ti2Nb4Ge2C4] 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 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 [3.1343] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
5,454
false
4,369
Sc6 Ge2 N4
data_[Sc6Ge2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.2123] _cell_length_b [3.2123] _cell_length_c [18.8274] ...
0.236842
N/A
N/A
validation
original data
P6_3/mmc
3,678
false
5,341
Zr6 As2 N4
data_[Zr6As2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3507] _cell_length_b [3.3507] _cell_length_c [17.9388] ...
0.303966
N/A
N/A
train
original data
P6_3/mmc
3,552
false
2,840
Mn2 V4 Sn2 C4
data_[Mn2V4Sn2C4] 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 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 [3.0512] _cell_length_b [3.0...
0.222203
N/A
N/A
train
original data
P6_3/mmc
5,442
false
4,358
Mn2 Sn2 W2 C2
data_[Mn2Sn2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1038] _cell_length_b [3.103...
0.222156
N/A
N/A
train
original data
P6_3mc
1,880
false
1,495
Mn4 Cd2 C2
data_[Mn4Cd2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9578] _cell_length_b [2.9578] _cell_length_c [13.2701] ...
0.000001
N/A
N/A
test
original data
P6_3/mmc
1,052
false
5,700
Mn6 S2 N4
data_[Mn6S2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [2.9698] _cell_length_b [2.9698] _cell_length_c [14.9263] _c...
0.000001
N/A
N/A
test
original data
P6_3/mmc
4,787
false
6,047
Hf2 Cr4 Si2 N4
data_[Hf2Cr4Si2N4] 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 [3.0452] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,510
false
2,807
Mn2 Cd2 Mo4 C4
data_[Mn2Cd2Mo4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.0273] _cell_length_b [3...
0.19983
N/A
N/A
train
original data
P6_3/mmc
2,689
false
2,149
Sc4 Ge2 Mo2 C4
data_[Sc4Ge2Mo2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [3.1851] _cell_length_b [3...
0.796989
N/A
N/A
validation
original data
P6_3/mmc
1,372
false
5,103
Zr2 Mn2 C2 S2
data_[Zr2Mn2C2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2630] _cell_length_b [3.263...
0.211496
N/A
N/A
train
original data
P6_3mc
1,284
false
1,019
V2 Cr4 As2 N4
data_[V2Cr4As2N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9486] _cell_length_b [2.9...
1
N/A
N/A
train
original data
P6_3/mmc
3,419
false
2,739
Cr2 Mo4 As2 C4
data_[Cr2Mo4As2C4] 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 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 [3.0623] _cell_length_b [3...
0.755117
N/A
N/A
train
original data
P6_3/mmc
2,458
false
1,965
Cr8 Sn2 C6
data_[Cr8Sn2C6] 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 [2.9745] _cell_length_b [2.9745] _cell_length_c [22.0804] ...
0.172456
N/A
N/A
train
original data
P6_3/mmc
5,931
false
4,748
Zr2 Cr4 Cd2 C4
data_[Zr2Cr4Cd2C4] 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 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 [3.1274] _cell_length_b [3...
0.757202
N/A
N/A
train
original data
P6_3/mmc
5,976
false
4,780
Ta4 In2 C2
data_[Ta4In2C2] 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 [3.1681] _cell_length_b [3.1681] _cell_length_c [14.5199] ...
0.223718
N/A
N/A
test
original data
P6_3/mmc
5,243
false
6,097
Sc2 Ta2 Sn2 N2
data_[Sc2Ta2Sn2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.1916] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3mc
686
false
542
Ti2 Nb2 Al2 C2
data_[Ti2Nb2Al2C2] 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 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 [3.0790] _cell_length_b [3.0...
0.798068
N/A
N/A
train
original data
P6_3mc
1,221
false
966
Hf4 Nb2 Si2 N4
data_[Hf4Nb2Si2N4] 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 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 [3.1795] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
5,685
false
4,554
Hf2 As2 W4 C4
data_[Hf2As2W4C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1719] _cell_length_b [3.1...
0.793649
N/A
N/A
test
original data
P6_3/mmc
3,288
false
5,912
Hf2 Ta4 P2 N4
data_[Hf2Ta4P2N4] 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 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 [3.2066] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
821
false
648
Ta4 V4 Ga2 C6
data_[Ta4V4Ga2C6] 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 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 [3.0701] _cell_length_b [3.0...
0.795146
N/A
N/A
train
original data
P6_3/mmc
3,126
false
2,501
Ta2 Ge2 W2 C2
data_[Ta2Ge2W2C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 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 [3.2219] _cell_length_b [3.221...
0.794952
N/A
N/A
train
original data
P6_3mc
2,980
false
2,378
Hf4 V2 Ga2 N4
data_[Hf4V2Ga2N4] 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 [3.1349] _cell_length_b [3.1...
1
N/A
N/A
train
original data
P6_3/mmc
4,360
false
3,490
V2 Cr4 Pb2 C4
data_[V2Cr4Pb2C4] 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 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 [3.0885] _cell_length_b [3.0...
0.755117
N/A
N/A
train
original data
P6_3/mmc
4,790
false
3,836
Sc2 Nb4 Ga2 N4
data_[Sc2Nb4Ga2N4] 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 [3.0578] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
504
false
397
Zr4 Ti2 Si2 C4
data_[Zr4Ti2Si2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2424] _cell_length_b [3...
0.791794
N/A
N/A
train
original data
P6_3/mmc
5,930
false
4,747
Mn4B4
data_[Mn4B4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.4805] _cell_length_b [2.9582] _cell_length_c [4.1080] _cell_angle_alpha [90.0000] _cell_ang...
0.487968
N/A
null
train
synthetic, MP or NOMAD
Pnma
60
true
4,837
Zr2 Ta4 Pb2 C4
data_[Zr2Ta4Pb2C4] 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 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 [3.2756] _cell_length_b [3...
0.792398
N/A
N/A
train
original data
P6_3/mmc
656
false
519
Zr2 Ta4 Sn2 C4
data_[Zr2Ta4Sn2C4] 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 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 [3.2465] _cell_length_b [3...
0.798068
N/A
N/A
train
original data
P6_3/mmc
2,093
false
1,671
Hf2 Ga2 W4 N4
data_[Hf2Ga2W4N4] 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 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 [3.0870] _cell_length_b [3.0...
1
N/A
N/A
validation
original data
P6_3/mmc
4,619
false
5,435
Ta2 Mo2 S2 N2
data_[Ta2Mo2S2N2] 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 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 [3.0778] _cell_length_b [3.077...
1
N/A
N/A
test
original data
P6_3mc
575
false
5,658
Zr4 Ta4 Si2 N6
data_[Zr4Ta4Si2N6] 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 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 [3.2388] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
902
false
719
Zr4 Mn2 Ga2 C4
data_[Zr4Mn2Ga2C4] 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 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 [3.2189] _cell_length_b [3...
0.19983
N/A
N/A
validation
original data
P6_3/mmc
4,174
false
5,394
Hf4 Cr2 As2 N4
data_[Hf4Cr2As2N4] 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 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 [3.2834] _cell_length_b [3...
1
N/A
N/A
train
original data
P6_3/mmc
3,285
false
2,631
Hf4 Mn2 As2 N4
data_[Hf4Mn2As2N4] 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 [3.2825] _cell_length_b [3...
0.236842
N/A
N/A
test
original data
P6_3/mmc
2,460
false
5,832
Ta4 V4 Sn2 C6
data_[Ta4V4Sn2C6] 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 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.1157] _cell_length_b [3.1...
0.795334
N/A
N/A
validation
original data
P6_3/mmc
1,004
false
5,060
Zr4 As2 W4 N6
data_[Zr4As2W4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.2342] _cell_length_b [3.2...
1
N/A
N/A
train
original data
P6_3/mmc
2,410
false
1,926
Sc4 Sn2 C2
data_[Sc4Sn2C2] 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 [3.3661] _cell_length_b [3.3661] _cell_length_c [14.8928] ...
0.208842
N/A
N/A
train
original data
P6_3/mmc
5,768
false
4,619