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-1225716
-9.64926
-4.687024
3.991865
other
Dy3Cu21
24
47
346.65
mp-554867
10.888071
11.784703
2.840366
other
Ta2O5
7
47
94
mp-1220312
9.69884
8.439399
2.721822
other
Nd2O3
5
47
95.8
mp-1178625
-2.223901
-8.358365
2.259903
other
Zr3Cd2
5
47
3,017.76
mp-1224497
-4.095374
-4.909422
5.60252
other
K15Si92
107
47
2,214.08
mp-1217092
-6.054638
-2.636206
4.963586
other
Ti3Al5
8
47
126.57
mp-1216893
-5.09551
-3.528152
3.511249
other
U7Mo1
8
47
158.36
mp-1205213
15.375419
5.741166
0.243089
other
Si72O144
216
47
4,019.25
mp-999545
-7.31496
-0.6247
4.131058
other
Mn3Fe1
4
47
53.51
mp-683970
15.466081
5.630996
0.24073
other
Si64O128
192
47
4,113.75
mp-555676
15.141073
5.833779
0.013692
other
Si8O16
24
48
354.39
mp-1080364
-4.288999
-4.903897
-3.401397
other
Ce8Se16
24
48
1,604.59
mp-1080357
-4.27118
-4.914853
-3.387445
other
Ce8Se16
24
50
1,490.92
mp-558366
13.768097
6.067103
-0.822652
other
Si8O16
24
50
333.9
mp-1212122
1.340338
2.371162
-5.334752
other
In8Cl16
24
52
760.55
mp-27398
-0.178533
1.331499
-4.343592
other
Tl8Br16
24
52
892.56
mp-568108
-0.439678
1.175088
-4.241811
other
In8Br16
24
52
873.78
mp-1179587
10.077672
9.944417
-0.69006
other
Sb8O16
24
52
355.21
mp-28384
-0.363358
1.294493
-4.336133
other
Ga8Br16
24
52
782.25
mp-560098
10.01578
9.927869
-0.654107
other
Sb8O16
24
52
314.59
mp-754658
9.262484
10.149817
-2.182461
other
Te4O12
16
52
205.41
mp-31150
-5.887487
-6.122242
0.937336
other
Sr8Bi12
20
52
717.47
mp-568848
1.619024
2.478582
-5.269969
other
Ga8Cl16
24
52
661.81
mp-29312
-1.200209
2.674531
-2.937271
other
In8I16
24
52
1,072.37
mp-1188663
-7.933008
-4.72483
1.825552
other
Pd10Pb6
16
5
311.75
mp-557134
15.491354
5.67172
0.249206
other
Si4O8
12
5
173.92
mp-1096888
0.676747
3.130585
1.503944
other
Cr4N8
12
5
210.1
mp-1074287
-2.989481
-7.596164
7.521142
other
Mg8Si6
14
5
262.92
mp-2646975
7.408077
6.386487
-4.084312
other
Al2O6
8
5
82.01
mp-568524
-8.529168
-5.057281
2.938637
other
Cu15Sn12
27
5
471.02
mp-1272932
12.02909
13.474701
-2.380102
other
V6O12
18
5
213.79
mp-1080270
-4.266268
-4.952525
-3.417754
other
Ce4Se8
12
5
671.93
mp-1100796
6.099598
8.982326
-2.102329
other
Pb7O16
23
5
343.66
mp-556553
14.983259
5.908086
0.079573
other
Si4O8
12
5
155.92
mp-684652
8.925229
1.201907
0.979559
other
Be3F6
9
5
187.8
mp-1217269
-4.349501
-2.342204
-3.394498
other
Te1Se2
3
5
93.4
mp-756900
6.333777
13.511744
-2.340095
other
Co7O12
19
5
199
mp-1094349
-4.310445
-3.756253
4.578662
other
Mg3Ti3
6
5
116.1
mp-1080319
-3.988785
-2.563281
-3.063837
other
Ce1Se2
3
5
181.04
mp-10426
11.108977
11.982658
2.4202
other
Nb2O5
7
5
83.3
mp-1178425
9.39334
0.963324
-0.838473
other
Co3F9
12
5
152.84
mp-754451
10.265625
12.344757
-4.099329
other
V5O12
17
5
236.07
mp-685164
13.293461
11.947599
-0.380642
other
V25O32
57
5
646.62
mp-715572
8.503848
13.335283
-1.205075
other
Fe16O24
40
5
409.03
mp-1173070
-5.500925
-3.000665
-4.506199
other
Cu9Se5
14
5
249.32
mp-673174
-6.921701
0.697474
3.833216
other
Fe24N9
33
5
327.27
mp-1039505
-6.940552
-6.41359
5.513341
other
Ce3Mg3
6
5
166.19
mp-1039236
-6.102205
-6.012144
0.489854
other
Mg3Bi3
6
5
168.44
mp-556662
15.306623
5.777072
0.250066
other
Si4O8
12
5
171.58
mp-1096894
0.660217
3.153541
1.502867
other
Cr4N8
12
5
190.08
mp-726032
-4.509332
-2.303088
-3.535893
other
K2Se6
8
5
293.28
mp-684604
-4.076311
-1.071067
-5.239108
other
Cu1S2
3
5
59.96
mp-32905
7.724426
10.825064
-0.929863
other
Cu8O7
15
5
172.98
mp-685126
-4.700043
-1.738084
-5.811673
other
Cu39S20
59
5
856.62
mp-935148
-8.6457
-7.368563
3.85161
other
Mg20Zn35
55
5
940.03
mp-656097
4.959694
3.092426
-3.418531
other
Ca2N12
14
5
192.28
mp-1080329
-4.263366
-4.970559
-3.419089
other
Ce4Se8
12
5
793.59
mp-1271729
9.79035
13.097933
-0.809926
other
Fe12O16
28
5
315.58
mp-1314858
11.892896
13.581744
-2.478073
other
V6O12
18
5
215.87
mp-561320
-3.291222
-2.105945
-5.548253
other
Pb2S2
4
5
395.49
mp-1216489
-3.058399
-2.050331
-5.08681
other
Yb10S18
28
5
682.04
mp-673168
14.692382
6.006256
-0.198397
other
Si3O6
9
5
204.11
mp-1094164
-7.274984
-7.506785
6.323043
other
La3Mg3
6
5
183.73
mp-1075513
-2.144239
-5.861369
7.472278
other
Mg10Si12
22
5
410.63
mp-1220037
-2.660216
-2.677315
-5.652145
other
Pr10S18
28
5
657.55
mp-1106111
-7.741093
-1.659112
2.502612
other
Ni10Ge6
16
5
198.44
mp-685066
-3.085089
-2.524379
-3.975938
other
U5S10
15
5
289.41
mp-1080121
-4.47147
-2.359097
-3.468835
other
K2Se6
8
5
249.2
mp-1094523
-7.699776
-8.490664
6.825138
other
Y3Mg3
6
5
167.56
mp-1274098
12.93941
13.096077
-1.130241
other
V6O10
16
5
173.96
mp-1094238
-6.806721
-9.388303
3.402913
other
Mg3Sn3
6
5
148.3
mp-624688
11.139742
12.053185
2.369638
other
Ta2O5
7
5
81.67
mp-1179500
8.574944
1.257977
1.647633
other
Sc1F3
4
5
53.02
mp-632403
1.403236
2.382609
-5.328776
other
Cd1Cl2
3
5
87.44
mp-729507
1.757618
2.647503
-4.593155
other
Ir4Cl12
16
5
387.89
mp-1218194
10.970858
12.006732
2.964348
other
Ta6O15
21
5
313.23
mp-1194011
6.661452
6.02899
-4.045414
other
S2O24
26
5
577.74
mp-1178540
6.101319
13.270345
-2.573852
other
Co8O16
24
5
268.93
mp-1219223
-8.19698
-4.575334
2.067052
other
Sn26Pd40
66
5
1,190.58
mp-1094533
-5.547297
-5.915437
0.389043
other
Mg3Sb3
6
5
154.31
mp-1204035
-1.884126
2.209574
-3.105735
other
W15I47
62
5
2,637.61
mp-1235185
6.57644
5.646575
-3.608725
other
Li1O8
9
5
100.41
mp-1094445
-8.101546
-9.570746
4.416692
other
Mg3Zn3
6
5
110.8
mp-30082
-7.742699
-1.680247
2.50833
other
Ni19Ge12
31
5
393.45
mp-530050
8.825483
13.190749
-1.265037
other
Fe43O64
107
5
1,241.32
mp-1080266
-4.251994
-4.982738
-3.418396
other
Ce4Se8
12
5
820.2
mp-1095012
-6.110013
-6.023228
0.502316
other
Mg3Bi3
6
5
168.72
mp-1039246
-7.078458
-8.028482
3.10878
other
Mg3Cd3
6
5
126.89
mp-1219006
-7.998729
-5.056489
2.297359
other
Sn7Pd5
12
5
257.09
mp-1094589
-6.236137
-9.296567
4.494694
other
Li3Mg3
6
5
125.07
mp-634805
9.051128
2.08856
1.592952
other
Sc1F3
4
5
43.37
mp-634410
5.543951
3.253436
-3.445814
other
Na1N3
4
5
50.31
mp-1173333
10.537523
10.738936
-2.757308
other
Re3O10
13
5
217.29
mp-849596
8.349989
14.351741
-1.61276
other
Mn21O40
61
5
720.18
mp-1220359
-2.762539
-2.666718
-5.639195
other
Nd10S18
28
5
641.56
mp-551905
7.870254
8.831736
-3.609018
other
Os1O4
5
5
96.17
mp-1094306
-4.94601
-7.46295
3.799828
other
Sr3Mg3
6
5
225.67
mp-1217676
-4.161483
-4.208969
-3.683641
other
Tb24Se45
69
5
1,648.62
mp-1094661
-6.605302
-9.175147
4.799685
other
Mg3Ga3
6
5
113.42
mp-684588
-3.400134
-3.955883
0.610684
other
Sn3P4
7
5
189.42