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-696329
8.156036
1.095235
-3.849368
other
Rb2Ca2H12N6
22
15
277.67
mp-1190751
8.772562
3.62916
-6.211115
other
Cs4H4C4O10
22
15
382.69
mp-31691
11.364333
7.944422
-7.658386
other
Li4Cr4P8O28
44
15
602.82
mp-561564
10.134665
9.611035
-2.118515
other
Co10Te8Cl4O24
46
15
729.63
mp-19028
11.752605
7.086741
-7.272224
other
Na6Fe2P4O16
28
15
329.27
mp-1217083
-3.255903
-2.825992
-4.040807
other
U4Co2Se4S6
16
15
324.61
mp-621924
8.761798
1.120911
1.138193
other
Ba4Cd4Ga4F28
40
15
559.91
mp-836278
10.639099
10.82944
-3.501253
other
Li2Sb2Mo4O16
24
15
307.53
mp-1212238
6.891187
5.820594
-3.586074
other
H4Pb2Cl4O14
24
15
330.47
mp-1181896
4.311618
3.918894
-3.95647
other
Co2N12Cl4O4
22
15
487.05
mp-1193182
-3.224665
-1.250417
-5.264581
other
K6Gd2As4S16
28
15
802.2
mp-560805
12.352484
6.346484
-0.623062
other
Ba4Cu2Si4O14
24
15
374.2
mp-555172
-2.440987
-0.532462
-5.316612
other
K6Nd6P8S32
52
15
1,460.36
mp-1192000
7.968507
0.966063
-4.089502
other
Cs4H12Au4N4
24
15
503.55
mp-1048411
11.731289
10.485625
1.984219
other
Mg4Nb4Bi2O16
26
15
333.47
mp-1203204
7.204803
5.146898
-4.929906
other
U2C6N8O22
38
15
720.73
mp-643074
12.630792
5.337579
-5.705388
other
Cs4P4H4O14
26
15
423.63
mp-18727
13.075785
7.224191
-1.186745
other
Li4Cr4Si8O24
40
15
426.45
mp-1096871
10.866857
12.139392
1.898208
other
Ba2Nb8Fe4O28
42
15
727.88
mp-1212165
6.976889
6.317411
-4.078347
other
Re12Se16O14F12
54
15
1,163.06
mp-541201
12.136893
6.858243
-6.232004
other
Tl4Cu4P4O16
28
15
442.86
mp-1201413
9.771273
7.422231
-2.009625
other
B4Pb28Br12O28
72
15
1,626.73
mp-540876
13.836505
5.162262
-6.737239
other
K2Th4P6O24
36
15
496.03
mp-768283
11.438931
5.746675
-4.758886
other
U2As4H12O22
40
15
458.14
mp-1249213
12.903359
6.89882
-0.705617
other
Ca6Si8Sn4O28
46
15
619.66
mp-26845
11.431465
7.918518
-7.982713
other
Li6Mn4P6O24
40
15
461.04
mp-1306729
6.69784
14.213949
-1.797337
other
Li4Mn2Co6O16
28
15
288.78
mp-1045917
14.318961
7.921615
-4.797058
other
Mg2P8W2O24
36
15
492.62
mp-1043326
12.19062
10.537224
-1.840631
other
Mg2Ge4W2O12
20
15
315.2
mp-768774
12.979263
5.586337
-2.307458
other
Li2Bi8B6O22
38
15
521.67
mp-504867
7.822745
10.414536
1.086869
other
Sr6Cu2Ir2O12
22
15
313.04
mp-758635
10.310168
4.156643
-4.87824
other
U2H24S4O30
60
15
643.32
mp-865526
10.007822
9.478445
0.942375
other
Tm2Sb2Pb4O12
20
15
289.27
mp-1200645
8.489575
6.101363
-5.490493
other
K6Pt4S12O48
70
15
1,118.93
mp-6824
13.016053
6.172174
-0.750514
other
Na4Zr2Si8O22
36
15
490.17
mp-757182
14.737902
7.812239
-5.494184
other
Li4Fe4P4O16
28
15
394.37
mp-1273498
13.085572
8.335629
-0.843848
other
Mg2Cr2Ge4O12
20
15
233.3
mp-1043356
13.093928
8.348141
-0.841076
other
Ca4Cr4Ge8O24
40
15
518.53
mp-1043294
12.082251
10.735112
-1.182157
other
Ca2Ge4W2O12
20
15
328.1
mp-721299
10.213405
3.031693
-4.632714
other
H26S4N6O16
52
15
470.8
mp-561512
1.424832
2.57994
-5.75852
other
K8Cu8Cl20O2
38
15
943.75
mp-1179885
8.604338
4.194525
-5.288605
other
Na2Fe2S4O4
12
15
238.23
mp-555852
-3.721372
-1.46905
-5.515157
other
Rb4Ag4Ge2S8
18
15
498.24
mp-752832
11.903116
7.105751
-1.865717
other
Li4Mn4Si8O24
40
15
483
mp-1228624
9.979237
10.623804
1.664313
other
Ba6Ti8Sb8O42
64
15
864.72
mp-1227611
8.76741
13.351764
-0.764877
other
Ba2Ti4Fe8O22
36
15
415.1
mp-1239055
7.444788
5.755077
-3.404227
other
Li4H8Br4O20
36
15
560
mp-2714890
11.326991
3.815039
-7.645422
other
Na12Ca12S18O72
114
15
1,808.13
mp-1203431
9.380336
1.568663
1.684756
other
Dy10B4O12F18
44
15
516.17
mp-1248912
13.77061
7.671019
-0.819976
other
Zn2Cr2Si4O12
20
15
240.15
mp-758966
12.648361
6.693893
-6.660244
other
Li2Bi2P8O24
36
15
484.22
mp-1213245
10.297994
10.877815
-3.779325
other
Cs2Eu2Mo4O16
24
15
359.2
mp-560280
7.951677
2.831004
-2.308446
other
Te2C12Cl4F28
46
15
752.98
mp-1177556
14.681876
8.797767
-6.001431
other
Li6V10P12O48
76
15
1,089.5
mp-1181381
1.334031
2.365749
-5.723488
other
K6Na2Fe2Cl12
22
15
748.84
mp-758401
12.260594
9.297415
-7.413498
other
Li2V4P6O24
36
15
424.56
mp-1211454
10.75811
11.060323
-3.620675
other
K2Lu2Mo4O16
24
15
317.38
mp-1305927
7.249245
10.654567
1.081684
other
Sr12In4Ni4O24
44
15
618.85
mp-1267920
13.383141
7.876061
-0.66006
other
Ca6Ti4Si8O28
46
15
565.23
mp-1288978
9.583369
11.274963
0.756581
other
Ba4Fe2Mo2O12
20
15
275.58
mp-554110
7.642121
3.716459
-4.789105
other
C4S4N4O12
24
15
367.32
mp-733755
5.977684
3.306148
-4.805459
other
Os12C36S4O52
104
15
1,788.68
mp-1195988
9.917171
3.057184
-4.354177
other
Te4H36N8O22
70
15
674.39
mp-19220
12.6117
6.925331
-1.247564
other
Ca4Si8Ni4O24
40
15
451.42
mp-1191677
4.259238
3.923079
-3.918814
other
Co2Br4N12O4
22
15
427.34
mp-849325
8.269988
1.9186
-4.561058
other
Sb2H8N2Cl12
24
15
480.39
mp-1192001
10.633693
3.392329
-3.819189
other
Al2H12Br2O8
24
15
268.44
mp-863422
12.822571
7.220672
-7.137274
other
Li8Ni2P12O36
58
15
666.07
mp-1302892
12.243676
13.572914
-0.87451
other
Li4V6Cr2O16
28
15
300.52
mp-21727
11.686126
7.393384
-1.168003
other
Cu2Ge10Pb6O28
46
15
656.98
mp-849274
11.270534
0.697904
0.799976
other
Li4Fe4O4F8
20
15
229.94
mp-765102
14.272528
7.324616
-5.979362
other
Li2Ti2P8O24
36
15
461.09
mp-754032
12.536244
7.196625
-7.463033
other
Li8Ni4P8O28
48
15
563.5
mp-1302037
7.771516
13.794031
-1.201708
other
Li4Co4Sn4O16
28
15
326.28
mp-1203060
9.25174
7.707294
-5.291964
other
Sr4Fe2P6O24
36
15
488.61
mp-1197162
5.774531
3.442458
-4.64992
other
Mn4H4C20O20
48
15
809.67
mp-1214444
9.295784
1.202075
1.43274
other
Ba4Mn4Al4F28
40
15
539.57
mp-1277669
6.963646
15.87625
-1.102152
other
Li8Ti2Co6O16
32
15
295.22
mp-759734
12.71051
6.494411
-6.165399
other
Li12Bi8P12O48
80
15
1,090.35
mp-1047021
10.907823
11.36593
2.536172
other
Ca4Nb4Co2O16
26
15
331.47
mp-1046840
10.773258
11.997235
2.204914
other
Nb4Zn4Cu2O16
26
15
304.45
mp-560154
11.578676
10.996401
-3.649036
other
Dy4Sb4Mo8O36
52
15
849.46
mp-560774
11.142335
10.948647
-3.556061
other
U6Ag12Mo10O54
82
15
1,244.37
mp-1224461
7.541818
1.119777
-4.435646
other
H8C4Br4Cl4
20
15
476.44
mp-1290471
7.092203
13.167786
-1.193939
other
Li8Ni6Bi2O16
32
15
316.25
mp-1195606
9.453235
6.995785
-3.480801
other
K4Zn6Se8O24
42
15
717.72
mp-1221303
11.287043
11.03201
-3.803777
other
Na4Th2Mo6O24
36
15
504.54
mp-553938
10.791593
11.365494
-1.984032
other
K2Gd2W4O16
24
15
334.17
mp-1273584
8.655444
13.878778
-0.72927
other
Li8Nb2Co6O16
32
15
308.89
mp-758385
14.406055
8.809609
-3.908453
other
Li4P4W4O20
32
15
382.88
mp-17863
13.775387
7.195767
-6.908694
other
Mn4Si2P8O28
42
15
548.64
mp-690824
8.477971
2.961599
-5.003052
other
Sr2H12C8O14
36
15
379.52
mp-17636
11.393472
10.991231
-2.285356
other
K6Na2W4O16
28
15
520.22
mp-777539
10.095337
8.237172
-6.548414
other
Li2Cr4P6O24
36
15
426.7
mp-6478
12.316408
6.931919
-1.100122
other
Li2Ta2Ge2O10
16
15
199.37
mp-1250828
13.193249
7.424482
-0.743469
other
Ca6Si8Sb4O28
46
15
638.34
mp-16871
11.86394
7.170545
-0.438083
other
K4Zr2Ge4O14
24
15
364.64
mp-1208669
10.681256
9.98697
-1.529908
other
Ta12Te16Cl4O60
92
15
1,404.47
mp-1202690
7.156859
6.835271
-4.318265
other
Na8P4N2O32
46
15
797.8
mp-510264
10.861521
11.395084
-2.041477
other
K2Y2W4O16
24
15
330.22