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-7817
-3.538779
1.826383
2.868278
other
Y1B12
13
225
105.11
mp-980189
-5.546128
-7.435411
4.082991
other
Na1Yb3
4
225
161.8
mp-1058689
1.711313
2.370079
0.246499
other
K1N1
2
225
49.04
mp-24192
2.888721
-0.513072
-1.8062
other
Er1H2
3
225
33.09
mp-1039170
-6.128913
-6.095262
0.557411
other
Mg1Bi1
2
225
57.24
mp-883
2.182457
1.573391
2.020493
other
Ho1N1
2
225
28.61
mp-571102
-1.013188
3.056061
-3.058908
other
Tl1I1
2
225
87.31
mp-1193308
-7.858718
0.619065
5.554079
other
Tm6Fe23
29
225
417.89
mp-972237
-6.169116
-0.915935
3.992204
other
Tc3H1
4
225
51.65
mp-7171
-4.121993
-3.848163
0.978731
other
Tm1P1
2
225
43.33
mp-1098703
-4.243975
-4.972198
-3.414901
other
Ce4Se8
12
24
670.89
mp-1356129
8.420225
13.352433
-1.195848
other
Fe16O24
40
24
429.69
mp-1014910
0.692977
3.016979
1.555934
other
Cr4N8
12
24
174.04
mp-557244
14.948499
5.836646
-0.008363
other
Si4O8
12
24
153.77
mp-639506
15.563504
5.683582
0.370054
other
Si24O48
72
24
1,291.55
mp-1256499
15.421396
5.697897
0.270617
other
Si48O96
144
230
2,667.21
mp-1080369
-4.265034
-4.983463
-3.422472
other
Ce12Se24
36
230
2,514.41
mp-16515
-7.981497
-2.035498
3.281154
other
Al32Ni24
56
230
723.68
mp-648774
1.178522
1.84291
-4.249926
other
Zr48Cl120
168
230
5,173.57
mp-30655
-8.06915
-2.069196
2.929955
other
Ga32Ni24
56
230
756.41
mp-558891
15.388418
5.778503
0.31029
other
Si12O24
36
230
519.89
mp-680077
-0.980201
0.851656
-3.306723
other
Ta48Br120
168
230
5,123.17
mp-559829
15.368435
5.732373
0.191876
other
Si48O96
144
230
4,592.45
mp-1196624
-6.55564
-0.244263
3.6134
other
Fe20Si12
32
230
351.86
mp-600028
15.640203
5.657354
0.416109
other
Si24O48
72
230
1,239.22
mp-683953
13.617864
6.946969
-0.950261
other
Si48O96
144
230
2,307.42
mp-1199827
-5.688915
-5.531614
3.405734
other
Ba32Ge172
204
230
5,095.1
mp-23274
1.43071
2.440317
-3.821259
other
Ta48Cl120
168
230
4,474.15
mp-30467
-6.66043
-5.009909
0.278183
other
Bi48Rh12
60
230
1,738.37
mp-1204026
14.470532
6.006401
-0.28516
other
Si48O96
144
230
1,880.91
mp-1227268
-6.957324
-4.621559
5.140972
other
Ce4Ge7
11
25
258.57
mp-2273
-7.104457
-6.025684
1.570408
other
Ag3Sb1
4
25
81.08
mp-1016257
-8.997694
-11.56792
6.112532
other
Mg3W1
4
25
75.69
mp-1016233
-6.926273
-10.107714
5.553687
other
Mg3Al1
4
25
82.15
mp-1079046
5.636267
2.114146
-2.575378
other
B1C7
8
25
47.5
mp-1094905
-5.258494
-3.049411
4.034142
other
Mg1Ti3
4
25
73.28
mp-1228682
-8.518096
-4.408039
2.135548
other
B1Pd4
5
25
73.93
mp-1220502
-7.128534
-2.018314
4.061052
other
Nb5Ir7
12
25
191.14
mp-1059094
-4.719901
-4.880856
0.198052
other
Ga1As1
2
25
39.78
mp-1073367
-3.104142
-5.140709
6.724669
other
Mg4Si8
12
25
197.29
mp-1016229
-7.680316
-10.830291
5.347351
other
Mg3Ni1
4
25
72.21
mp-636827
10.999628
12.192045
2.087702
other
Ti2O4
6
25
189.27
mp-1016226
-6.132757
-11.257738
5.808549
other
Rb1Mg3
4
25
138.66
mp-1185949
-2.622209
-0.451007
-5.269428
other
Mg1S3
4
25
74.89
mp-1016238
-7.015474
-10.763294
4.563119
other
Mg3Sn1
4
25
93.56
mp-1016224
-7.700959
-10.883397
5.338363
other
Mg3Cu1
4
25
75.43
mp-1016287
-6.14548
-11.088731
5.750262
other
K1Mg3
4
25
124.36
mp-1094390
-4.29157
-3.772725
4.568274
other
Mg4Ti4
8
25
157.46
mp-1094950
-6.337814
-5.608988
3.715196
other
Mg1Ga3
4
25
72.54
mp-1016239
-7.82575
-9.594925
6.816333
other
Hf1Mg3
4
25
89.21
mp-1185881
-7.47178
-7.468735
1.891739
other
Mg1Hg3
4
25
91.46
mp-1016221
-7.25392
-10.791328
5.168487
other
Mg3Ga1
4
25
81.15
mp-755286
12.176327
11.846905
0.53973
other
Cr6O6
12
25
156.22
mp-1016223
-8.570204
-11.100066
6.065012
other
Mg3Mo1
4
25
76.4
mp-976139
-5.808538
-7.067428
3.447512
other
Li3Mg1
4
25
81.4
mp-1220625
-4.6829
-4.785968
6.023215
other
Nd4Si7
11
25
288.86
mp-1094759
-6.96089
-6.504169
6.31143
other
La3Mg1
4
25
133.95
mp-1016216
-5.523812
-10.014942
6.370362
other
Mg3Si1
4
25
80.2
mp-1016219
-6.484442
-10.837894
5.669737
other
Na1Mg3
4
25
101.58
mp-1094741
-8.969354
-6.356556
3.415214
other
Mg1Zn3
4
25
66.24
mp-1016231
-5.977464
-11.242416
5.767597
other
Cs1Mg3
4
25
155.12
mp-1100824
11.002428
10.023183
3.8421
other
Zr24O48
72
25
895.7
mp-1220672
-6.822013
-4.429103
5.255249
other
Nd4Ge13
17
25
372.9
mp-1016235
-6.504129
-10.573198
5.932617
other
Ca1Mg3
4
25
109.96
mp-1038988
-6.421106
-5.952738
5.644316
other
Ce3Mg1
4
25
106.12
mp-1016241
-7.902111
-10.870969
5.57946
other
Mg3Mn1
4
25
80.41
mp-1016217
-7.630005
-9.399331
6.518203
other
Mg3Zr1
4
25
90.58
mp-1225750
-4.963544
-4.1706
6.123069
other
Er2Si3
5
25
102.59
mp-1217027
-6.125196
-2.905028
5.625886
other
Ti1Al3
4
25
65.15
mp-1220187
-4.923768
-4.29642
6.130027
other
Nd4Si7
11
25
240.71
mp-1094976
-4.900749
-7.496939
3.566184
other
Sr3Mg1
4
25
182.89
mp-1016236
-7.141133
-11.105086
4.156111
other
Mg3Sb1
4
25
94.69
mp-761151
11.400951
9.771676
3.544517
other
Zr6O11
17
25
208.54
mp-1016218
-6.175132
-11.051715
5.898381
other
Ba1Mg3
4
25
131.39
mp-1094988
-6.538115
-6.199858
2.065426
other
Mg1Sn3
4
25
104.49
mp-1016254
-7.774958
-9.213479
6.399905
other
Ce1Mg3
4
25
103.62
mp-1184335
-5.566786
-7.326924
4.060216
other
Eu3Mg1
4
25
149
mp-1016220
-7.924233
-9.767002
6.592265
other
Mg3Nb1
4
25
81.93
mp-1016243
-7.475851
-10.931404
5.288728
other
Mg3Zn1
4
25
79.28
mp-1016260
-7.87348
-11.034243
5.766193
other
Mg3Fe1
4
25
70.53
mp-1038985
-5.102214
-7.361784
3.854916
other
Ca3Mg1
4
25
149.8
mp-19744
-5.820818
-5.595994
0.744287
other
In1Sb1
2
25
58.69
mp-1016234
-6.995456
-9.485583
2.771234
other
Mg3Bi1
4
25
101.24
mp-1016250
-6.637926
-11.816817
6.036394
other
Mg3B1
4
25
69.37
mp-1016242
-7.779797
-9.761064
6.649132
other
Mg3Ti1
4
25
84.8
mp-1221420
-7.607258
-2.110325
2.612082
other
Mo1Pt3
4
25
62.44
mp-1094263
-6.225842
-4.357832
3.195358
other
Zr4Sn4
8
25
186.72
mp-1016228
-7.777653
-10.716073
5.407651
other
Mg3Co1
4
25
70.52
mp-1016225
-8.098001
-10.974139
5.956322
other
Mg3Cr1
4
25
82.42
mp-1094851
-7.435349
-7.02056
2.407147
other
Mg1Cd3
4
25
85.12
mp-1016263
-8.107119
-11.012047
5.912863
other
Mg3V1
4
25
81.25
mp-1016222
-7.016454
-11.053872
5.588396
other
Li1Mg3
4
25
86.6
mp-1217515
-5.375813
-3.08966
3.630238
other
Ti13Pb3
16
25
295.72
mp-1016283
-6.243451
-10.814068
5.87815
other
Sr1Mg3
4
25
119.5
mp-1094968
-7.259439
-6.819111
6.829117
other
Y3Mg1
4
25
124.51
mp-1068462
-3.023543
-2.002759
-3.805136
other
La2S2
4
25
14,934.16
mp-1217255
-5.408974
-3.104665
3.286586
other
Ti13Sb3
16
25
283.07
mp-1016237
-7.29012
-10.791441
4.943555
other
Mg3Cd1
4
25
86.24
mp-1094278
-6.165037
-4.277637
3.230524
other
Zr6Sn6
12
26
279.97
mp-559545
9.118866
7.364548
-3.51298
other
Se8O16
24
26
346.52