mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-1223904
9.931354
8.41848
3.089172
other
Ho2O3
5
115
78.3
mp-1078935
5.674292
2.096757
-2.590903
other
B1C7
8
115
47.53
mp-1222421
1.874053
2.816306
0.719992
other
Li3N2
5
115
58.07
mp-1017551
9.497869
8.647031
-0.447556
other
Bi2O3
5
115
89.48
mp-1224223
-4.023478
-1.365835
-5.796769
other
In11S16
27
115
648.73
mp-1219669
11.437283
8.87915
2.674496
other
Pu2O3
5
115
80.69
mp-600001
15.598793
5.649126
0.3949
other
Si5O10
15
115
306.6
mp-1224674
9.604191
8.489332
2.930278
other
Gd2O3
5
115
83.09
mp-33154
-1.024932
2.72463
-3.152763
other
Ag1I2
3
115
116.72
mp-1181940
1.396063
2.371071
-5.326872
other
Cd1Cl2
3
115
88.87
mp-632311
-5.290908
-2.133236
3.470551
other
Ta2H1
3
115
38.78
mp-1225322
-5.835274
-3.705651
-1.529797
other
Dy4Te7
11
115
334.09
mp-1225275
9.97243
8.428418
3.119348
other
Dy2O3
5
115
79.73
mp-1217673
9.824047
8.378025
3.020525
other
Tb2O3
5
115
81.06
mp-1219167
9.719911
8.478494
3.015214
other
Sm2O3
5
115
86.54
mp-28056
-6.052845
-1.49753
1.256548
other
P2Rh3
5
115
69.51
mp-1216050
9.885821
8.648436
3.131675
other
Y2O3
5
115
80.51
mp-570922
1.421515
2.303895
-5.312466
other
Mg1Cl2
3
115
87.64
mp-1217105
7.615959
9.536382
-1.670076
other
Ti3O8
11
115
137.61
mp-1217048
0.729188
1.265542
2.74068
other
Ti8N5
13
115
150.76
mp-1225731
-4.777479
-1.548792
-5.647485
other
Cu3S2
5
115
71.55
mp-850099
-4.534384
-1.144572
-5.013238
other
Cu1S2
3
115
52.54
mp-1225508
-4.155535
-4.28875
-3.669723
other
Er2Se3
5
115
123.18
mp-568838
-0.807757
2.279586
-3.385116
other
Hg4I7
11
115
595.77
mp-16609
-5.881145
-2.037849
5.239582
other
Si12Os8
20
116
280.9
mp-1207561
-6.204603
-5.046758
1.492692
other
Zr32Bi52
84
116
2,260.01
mp-510032
-7.12046
-1.75364
4.186976
other
Ge12Os8
20
116
310.57
mp-30665
-8.338584
-2.936734
4.435649
other
Ga68Rh40
108
116
1,667.59
mp-1203760
-5.649137
-1.641876
4.777059
other
Si28Tc16
44
116
594.65
mp-680339
-5.77219
-1.481531
4.701201
other
Mn16Si28
44
116
510.62
mp-561291
14.975355
5.867703
0.038547
other
Si8O16
24
116
354.64
mp-1105498
-6.221404
-1.516038
4.102721
other
Co8Si12
20
116
245.09
mp-1197234
-4.647179
-0.235997
2.715698
other
Ir16C20
36
116
383.21
mp-541844
-7.827138
-2.43495
3.806819
other
Ge20Ir16
36
116
586.23
mp-20191
-6.185922
-1.929329
5.278486
other
Si12Ru8
20
116
275.08
mp-706531
-7.490993
-2.09935
4.187672
other
Ge12Ru8
20
116
305.64
mp-1201064
-6.640395
-1.979081
3.728596
other
Re16Ge28
44
116
695.91
mp-680677
-7.862417
-3.406172
3.035043
other
Sn12Ru8
20
116
384.1
mp-1189780
-4.934169
-0.268927
3.148243
other
Os8C12
20
116
199.18
mp-1227527
8.155235
8.843274
-0.896236
other
Bi8O14
22
117
346.67
mp-1190410
-4.058365
-4.196222
-3.791735
other
Pr8Se16
24
117
609.54
mp-637599
9.36358
8.737745
-0.44936
other
Bi8O12
20
117
350.45
mp-1080308
-4.267576
-4.969635
-3.417084
other
Ce8Se16
24
118
1,538.01
mp-579963
-6.437612
-1.469995
4.503793
other
Cr44Ge76
120
118
1,763.52
mp-680383
-6.481546
-1.497061
4.376259
other
V68Ge124
192
118
2,950.26
mp-558200
15.277064
5.777314
0.206515
other
Si8O16
24
118
330.74
mp-1212680
-8.233331
-2.872363
4.509183
other
Ga20Ir12
32
118
483.61
mp-569901
-6.025393
-1.188313
3.630047
other
Ge92Mo52
144
118
2,333.97
mp-567968
-5.796154
-1.522924
4.766605
other
Mn44Si76
120
118
1,438.84
mp-1181401
-8.282101
-2.944095
4.580436
other
Ga20Ir12
32
118
523.44
mp-1077536
-5.749728
-5.43691
0.583421
other
Zn2Sb4
6
118
150.69
mp-1097859
-6.85756
-1.169513
4.418295
other
Mn12Ge20
32
118
449.97
mp-1207419
-6.228142
-5.084839
1.48867
other
Zr12Bi20
32
118
847.57
mp-672326
-8.32593
-5.049647
3.797804
other
In12Ru4
16
118
369.97
mp-574338
-5.974809
-6.245442
3.513773
other
Cs3Ga9
12
119
312.83
mp-30589
-9.727991
-4.808221
4.306067
other
La9Cu36
45
119
743.84
mp-1228806
-5.444881
-5.58765
0.616706
other
Al1Sb1
2
119
47.27
mp-567752
-5.125849
-6.686045
2.089021
other
Cs4In6
10
119
407.71
mp-542339
-6.074066
-6.685848
2.530257
other
Cs3In9
12
119
431.58
mp-1226722
-6.131464
-3.405722
-2.18965
other
Cd1Te1
2
119
56.98
mp-1009818
6.164956
2.876331
-2.981661
other
C1N2
3
119
18.26
mp-1218964
-6.526843
-5.854638
1.157409
other
Sn1Bi1
2
119
62.03
mp-2362466
-4.739165
-4.862854
0.222139
other
Ga1As1
2
119
38.67
mp-632219
2.579132
-0.379757
-1.487964
other
Zr1H1
2
119
27.07
mp-1101854
-3.215527
1.644669
2.871521
other
Li1B11
12
119
83.34
mp-32880
-0.392206
1.566423
-4.574568
other
Cu1Br1
2
119
46.39
mp-639682
15.77104
5.567171
0.425047
other
Si10O20
30
119
627.57
mp-1220609
-6.423063
-1.173865
4.171531
other
Nb8Cr16
24
119
346.01
mp-684580
-1.214325
2.810778
-3.115946
other
Ag1I1
2
119
73.28
mp-1077125
5.65041
2.045749
-2.628691
other
B1C5
6
119
36.11
mp-31493
-6.152756
-6.223305
3.704124
other
Rb3Ga9
12
119
297.48
mp-1103120
-3.188593
1.715761
2.839596
other
Li1B11
12
119
82.67
mp-1198372
-6.240433
-5.34807
0.741693
other
Nb16Bi47
63
119
1,881.35
mp-1224785
-5.674081
-5.478908
0.627947
other
Ga1Sb1
2
119
48.24
mp-1223902
-5.788532
-3.47058
-2.654819
other
Hg1Te1
2
119
57.86
mp-972825
4.0893
-0.395626
-2.654635
other
Si1H8
9
119
118.85
mp-1223637
-5.782017
-5.648113
0.732682
other
In1Sb1
2
119
56.76
mp-181
-6.151578
-6.192722
3.765416
other
K3Ga9
12
119
285.75
mp-644923
15.585029
5.665825
0.333976
other
Si48O96
144
119
2,818.29
mp-600067
15.474994
5.691927
0.316524
other
Si28O56
84
119
2,035.53
mp-1057216
-3.937217
-1.110691
-5.549591
other
Li1S1
2
119
33.51
mp-10004
-5.834048
-0.700849
2.674968
other
Mo12P4
16
121
231.55
mp-1080256
-4.2631
-4.983253
-3.420742
other
Ce8Se16
24
121
1,665.4
mp-1223154
-2.605223
-2.606032
-5.507377
other
La4S7
11
121
268
mp-1180489
1.885576
2.830574
0.425688
other
Li4N4
8
121
102.91
mp-33218
-0.855514
2.075289
-3.264103
other
Cu1I4
5
121
176.79
mp-30748
-6.457351
-3.421865
3.977
other
Zr12Ir4
16
121
332.85
mp-32829
2.313328
2.874835
-4.3331
other
Cu1Cl4
5
121
123.9
mp-1101633
-3.130161
-2.097785
-5.016407
other
Yb16S29
45
121
947.22
mp-30412
-6.935103
-6.565644
2.21052
other
Pb12Au4
16
121
441.13
mp-1180520
-3.670897
-1.218257
-5.592697
other
Li4S4
8
121
159.53
mp-1215747
-3.111475
-2.075708
-5.020125
other
Yb4S7
11
121
232.9
mp-582055
-9.00352
-1.758122
2.828858
other
La7Ni16
23
121
379.02
mp-33107
8.31882
2.776812
-1.744932
other
S1F4
5
121
87.5
mp-557930
15.388829
5.753362
0.313614
other
Si8O16
24
121
345.29
mp-1205436
-7.077133
0.728537
3.428463
other
Fe12C4
16
121
149.27
mp-7945
-5.309435
-1.221709
1.97896
other
V12S4
16
121
200.57
mp-1188413
-6.366892
-3.587769
3.970886
other
Zr12Rh4
16
121
330.86
mp-1209828
-5.652765
-0.556154
3.216698
other
P4W12
16
121
237.47
mp-27962
-0.678625
2.370696
-3.352278
other
C1I4
5
121
219.79