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-554433
13.037506
6.195667
-0.473751
other
K8Al8Si16O48
80
88
1,214.64
mp-1203118
7.610136
4.985226
-5.602175
other
Rb2Y2C8O24
36
88
582.44
mp-1208153
4.52808
2.256818
-3.16353
other
Tl4B4C8N8
24
88
538.45
mp-19464
11.352242
11.17957
-3.73381
other
Na10Lu2Mo8O32
52
88
759.36
mp-1193817
6.566303
1.855926
-3.59739
other
B2H8C8N10
28
88
412.81
mp-768705
14.177125
5.58929
-2.643117
other
Li24Co8B8O32
72
88
648.36
mp-559904
12.455692
7.292068
-0.786174
other
Na8Li24Si8O32
72
88
753.08
mp-1199165
8.863247
1.561113
-4.360803
other
Si2H24C8O8
42
88
439.06
mp-561254
12.05618
7.78569
-1.024642
other
Na8Li24Ge8O32
72
88
813.68
mp-1019579
2.337312
2.149368
1.617486
other
Ca8Mg24Si8N32
72
88
891.01
mp-9637
8.651672
1.198922
1.473951
other
K12Np4O8F20
44
88
792.1
mp-1212399
7.794613
5.383438
-3.540215
other
H8I4N4O8
24
88
449.5
mp-1204855
7.635431
5.00564
-5.609375
other
K2Y2C8O24
36
88
554.14
mp-19461
11.423831
11.150245
-2.394331
other
Na10Nd2W8O32
52
88
802.38
mp-1208651
13.28574
7.758287
-1.099954
other
Y4Mg16Si16O48
84
88
1,192.03
mp-24375
8.425847
1.410111
-4.27629
other
Tl2H8N2Cl8
20
88
413.77
mp-1200418
11.443839
11.130013
-2.486321
other
Na8Th2W8O32
50
88
820.89
mp-13588
4.338791
2.171329
-3.211993
other
Cs2B2C8N8
20
88
442.69
mp-561158
11.319912
11.090346
-3.789947
other
Na8Zr2Mo8O32
50
88
750.5
mp-555973
11.378458
11.161378
-3.739897
other
Na10Er2Mo8O32
52
88
767.96
mp-863731
8.364708
1.339061
-4.319102
other
In2H8N2Cl8
20
88
401.63
mp-1211861
4.612082
2.306947
-3.184986
other
K4B4C8N8
24
88
502.43
mp-776434
8.809997
11.239396
0.676452
other
Li24La8Ni8O32
72
88
829.2
mp-1194639
10.797336
10.142612
-2.141078
other
Th8Te16W8O72
104
88
1,516.71
mp-13591
4.354933
2.191821
-3.237252
other
Rb2B2C8N8
20
88
402.3
mp-13592
4.384106
2.207251
-3.270582
other
Tl2B2C8N8
20
88
390.32
mp-1020587
2.327226
2.099078
1.618169
other
Sr8Mg24Si8N32
72
88
899.94
mp-540937
11.425878
11.14432
-2.43897
other
Na10La2W8O32
52
88
817.51
mp-541643
11.386521
11.194773
-2.435766
other
Na10Lu2W8O32
52
88
762.06
mp-19469
11.378489
11.160625
-3.751248
other
Na10Tb2Mo8O32
52
88
729.83
mp-680462
4.849071
2.771011
-3.608701
other
Si8C32S32N32
104
88
2,171.14
mp-560175
11.35734
11.070176
-3.78452
other
Na8Th2Mo8O32
50
88
811.24
mp-24087
9.466318
4.979372
-4.127478
other
H8I2N2O8
20
88
241.21
mp-556070
11.378109
11.126633
-3.727119
other
Na10Gd2Mo8O32
52
88
736.48
mp-778748
14.944446
6.45188
-2.072826
other
Li24Fe8B8O32
72
88
666.48
mp-772439
11.386304
10.949151
0.417361
other
Li24Al8Fe8O32
72
88
781.81
mp-574060
4.36571
2.204894
-3.241997
other
K2B2C8N8
20
88
369.87
mp-555417
11.388605
11.050669
-3.841594
other
K8Th2Mo8O32
50
88
932.34
mp-19479
11.389585
11.117816
-3.744454
other
Na10La2Mo8O32
52
88
811.09
mp-744259
11.041501
7.686108
-1.82095
other
Ca12Mn8Ge12O48
80
88
971.96
mp-561911
9.434846
6.959494
-3.447742
other
Ca6Co2Se8O24
40
88
677.47
mp-1195494
10.197013
3.623975
-3.97715
other
Np16H64Cl16O64
160
88
2,165.7
mp-643670
5.848027
3.451792
-4.703871
other
Mn16In8C72O72
168
88
2,759.32
mp-556968
9.315042
8.73438
0.063991
other
Rb8Na24Sn8O32
72
88
1,219.59
mp-699570
-2.945356
0.027607
-2.972857
other
V8Te32Cl32O8
80
88
2,082.14
mp-1019726
2.322782
2.102771
1.635333
other
Eu8Mg24Si8N32
72
88
916.79
mp-758844
13.046037
7.837569
-0.718226
other
Li24Cu8Si8O32
72
88
747.09
mp-757648
12.123847
7.068636
-1.700687
other
Li8Fe8Si16O48
80
88
1,067.41
mp-19463
11.463534
11.154901
-2.481134
other
Na10Tb2W8O32
52
88
799.33
mp-18944
11.399277
11.161097
-2.424498
other
Na10Y2W8O32
52
88
777.77
mp-19497
11.390304
11.126255
-3.712955
other
Na10Y2Mo8O32
52
88
775.59
mp-558443
11.732925
11.146899
-3.298452
other
Na8U2Mo8O32
50
88
791.49
mp-707956
8.313822
1.208881
-3.917783
other
K4Li28H64N32
128
88
1,202.04
mp-6054
9.576817
8.585286
3.11306
other
Ba5Tm8Zn4O21
38
87
539.45
mp-1194552
11.108475
7.839637
2.984756
other
Sm10As8Au3O10
31
87
610.61
mp-2227518
-4.338217
-1.189245
-5.256776
other
Ba1Mg1Fe2S4
8
87
182
mp-1214595
9.079533
8.985143
2.694332
other
Ba5Tm8Ni4O21
38
87
530.59
mp-19119
7.827891
10.799053
0.679819
other
Sr2Ni1Os1O6
10
87
126.58
mp-2228989
10.944986
6.537854
-3.957521
other
Mg1Fe4H4O8
17
87
177.84
mp-6312
8.703726
3.529286
-7.133115
other
Sr8Cu4C4O20
36
87
473.59
mp-560657
7.648936
10.365304
1.422237
other
Rb1La9Ir4O24
38
87
547.16
mp-760393
10.363198
1.003618
1.507008
other
Li16Mn4O4F16
40
87
415.16
mp-1274143
11.051148
11.18661
0.409561
other
Sr2Fe1W1O6
10
87
132.3
mp-1204377
-0.765378
1.228341
-4.765321
other
Tl2Hg12S8Br10
32
87
960.92
mp-9348
8.272296
0.901602
1.822031
other
K1Rb2Sc1F6
10
87
179.14
mp-1078580
11.673044
10.67068
1.60399
other
Sr2Ti1Mo1O6
10
87
128.36
mp-558509
13.246611
7.39145
-1.214525
other
Ba4V4Si8O28
44
87
597.46
mp-18515
12.181193
6.535767
0.245154
other
Na4Gd4Si4O16
28
87
376.19
mp-31515
9.456051
10.836302
1.123878
other
Sr4Co2Re2O12
20
87
254.64
mp-1205944
11.650779
10.711387
1.912093
other
Sr4Ta2V2O12
20
87
257.71
mp-18296
9.448336
8.543206
2.92634
other
Ba5Dy8Zn4O21
38
87
556.54
mp-1079351
8.750143
11.29321
0.287205
other
Sr2Cu1Mo1O6
10
87
128.07
mp-12385
9.499477
9.762405
3.548945
other
Ba2Y1Ta1O6
10
87
155.51
mp-1207139
8.175232
0.745895
1.175719
other
K1Rb2In1F6
10
87
199.12
mp-568105
1.222579
1.675636
-4.29951
other
Ba2Zr6B1Cl17
26
87
698.68
mp-757188
12.068295
7.029283
-1.622004
other
Li4Mn2Si8O22
36
87
432.5
mp-13323
9.041552
9.796227
3.090632
other
Ba2Eu1Nb1O6
10
87
160.54
mp-1207064
9.399936
9.706327
3.556888
other
Ba2Tb1Ta1O6
10
87
155.78
mp-1216824
-5.912567
-4.002196
-2.170352
other
Tl8Sn1Te6Pb1
16
87
537.1
mp-1228597
9.595198
11.355747
0.737265
other
Ba10Fe6W4O30
50
87
694.03
mp-1205549
9.42353
9.680332
3.481575
other
Ba2Gd1Ta1O6
10
87
158.12
mp-1080507
7.388539
11.82273
1.778077
other
Ca8Ti4Mn4O24
40
87
444.29
mp-1208834
9.627712
9.973809
1.479749
other
Sr8Cr4Sb4O24
40
87
510.11
mp-758998
11.544313
7.168795
-1.947541
other
Li4Fe2Si8O22
36
87
441.4
mp-22353
9.3575
10.849083
0.983544
other
Sr2Re1Ni1O6
10
87
126.06
mp-18805
8.969717
11.410575
0.504242
other
Sr2Co1Mo1O6
10
87
121.74
mp-1021950
9.125326
12.85818
-0.820803
other
Ba2Nb4Fe8O24
38
87
459.51
mp-1214642
9.072005
9.070461
2.63558
other
Ba5Lu8Ni4O21
38
87
523.63
mp-19389
10.476665
10.493412
1.643601
other
Ba2Nd1Mo1O6
10
87
161.84
mp-1199104
10.274641
8.988181
2.518063
other
Ba5Y8Mn4O21
38
87
573.47
mp-1518518
7.193309
8.820601
-1.160802
other
Pr1Zn1Bi2O6
10
87
147.25
mp-22531
9.463623
9.624393
3.488286
other
Ba2Gd1Nb1O6
10
87
158.54
mp-1078741
7.633516
10.501209
0.899271
other
Ba2Cu1Os1O6
10
87
144.73
mp-1214479
9.444603
8.625182
2.904156
other
Ba5Y8Zn4O21
38
87
560.17
mp-1078868
9.59934
10.95824
1.275228
other
Sr2Mg1Re1O6
10
87
126.94
mp-555458
-1.812352
1.67171
-2.732807
other
Ba4Fe2S4I5
15
87
506.75
mp-1196877
11.677131
8.103024
0.294747
other
Ba2Al8Sb4O24
38
87
428.49
mp-552162
10.714014
10.842321
0.883814
other
Sr8Fe4Re4O24
40
87
518.64
mp-6252
9.17976
9.765363
-0.022197
other
Sr2Cu1Te1O6
10
87
130.66
mp-1194538
11.062169
7.850389
2.984059
other
Nd10As8Au3O10
31
87
633.78