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-1406815
7.589363
5.216189
-1.958142
other
Li2Ni2P2O8F2
16
2
175.97
mp-1226376
10.00429
6.086408
-4.100479
other
Cs4As2H6Se2O16
30
2
538.99
mp-744188
10.825139
6.853507
-4.296056
other
K6Mo8H12O32F2
60
2
842.67
mp-540813
4.34559
2.345915
-3.341108
other
K3Re1C4N4O2
14
2
281.58
mp-1504391
7.815425
5.328016
-3.380553
other
K1Ni1H9C2O10
23
2
210.71
mp-1210388
8.687559
2.242056
-4.6369
other
Na4H32C4N20O12
72
2
709.96
mp-805888
7.811583
5.387307
-2.720678
other
Li6Cr2H24C12O36
80
2
833.53
mp-1210160
8.368648
2.529422
-4.91382
other
Na2H8C6N6O8
30
2
330.21
mp-756776
14.663683
7.591689
-5.401421
other
Li4Fe2P2H2O10
20
2
202.3
mp-651406
5.896986
3.425598
-4.723626
other
Mn8In8Fe8C72O72
168
2
2,746.19
mp-1228220
8.649355
9.57506
2.025969
other
Ba4La2Sb1Ru1O12
20
2
327.32
mp-24480
9.121224
1.674542
-4.167854
other
Cr2H34N8Cl4O6
54
2
519.47
mp-735475
12.229066
4.084317
-3.33255
other
Co1B12H28N2O30
73
2
632.31
mp-694913
9.507318
12.087083
1.283912
other
Ca4Ta8Ga8Cu12O48
80
2
859.77
mp-558663
10.333626
9.345815
-1.949805
other
Ca2Cu1Te4Cl2O10
19
2
325.34
mp-753350
10.602822
8.215215
-7.041515
other
Mn2V2P4H4O20
32
2
344.02
mp-1518162
9.571804
9.123379
2.195925
other
Sr2La2Eu2Sb2O12
20
2
305.6
mp-753865
14.718879
8.087199
-5.345405
other
Li4V4P8H4O28
48
2
534
mp-1348170
14.058915
7.698078
-5.310144
other
Li3Cr2P4H1O14
24
2
294.87
mp-1264957
9.247001
7.032117
-3.323889
other
Al2Co6Se4Cl2O16
30
2
407.21
mp-1238531
12.261671
5.274071
-5.494421
other
K8Te1P8H10O32
59
2
829.95
mp-555626
11.36919
8.989344
0.568485
other
Na2Li8U11W2O44
67
2
922.56
mp-1190440
10.442511
5.114764
-6.484202
other
Ho2Cu1Te2S2O14
21
2
287.79
mp-1220561
7.812298
1.588283
-4.565711
other
Sb2H12C2N6Cl12
34
2
747.97
mp-677029
12.658452
6.627165
-0.312395
other
Ca4Mg2Al4Si6O24
40
2
443.52
mp-1190474
10.398827
5.09681
-6.52901
other
Tb2Cu1Te2S2O14
21
2
293.16
mp-770394
9.579715
3.807901
-8.507582
other
Na10Fe4P4C4O28
50
2
627.71
mp-1202123
8.397436
2.271724
-4.620068
other
H16C2I2N10O6
36
2
411.96
mp-722864
8.596657
2.562087
-4.559564
other
H12Pt1N6Cl2O6
27
2
281.76
mp-686801
10.236852
4.693354
-4.501121
other
Al6Zn1P4H16O28
55
2
607.28
mp-722278
12.969479
6.08916
-6.269026
other
Ba1Si1P4H2O14
22
2
268.59
mp-1194615
10.030313
3.597536
-5.167739
other
Ca2Al4H24C4O28
62
2
538.27
mp-1173788
10.87736
9.090873
-3.602952
other
Na2Ni4Mo4H5O20
35
2
413.76
mp-1516637
9.111462
9.863635
3.139162
other
Ba2Sr2Eu2Nb2O12
20
2
310.55
mp-758995
11.375605
4.314466
-4.660756
other
Mn2Al2P4H30O30
68
2
621.08
mp-755800
15.543998
5.930468
-2.1675
other
Li4Mn2Fe2B4O12
24
2
251.39
mp-774838
11.586267
9.999483
2.862454
other
Li2Y14Ti14S14O35
79
2
1,176.8
mp-2229194
12.433632
8.429736
-0.541954
other
Pr2Mg1Mn2Ge2O10
17
2
231.53
mp-1523047
6.129714
8.735618
-0.30567
other
Ba2Eu2In2Bi2O12
20
2
313.29
mp-1356028
7.451455
5.071482
-1.812725
other
Ba4Cu8Te8Cl8O22
50
2
928.87
mp-24405
11.640065
7.267231
-1.175339
other
Li2Cd8Ge10H2O30
52
2
694.13
mp-1411667
7.814924
5.548436
-2.702906
other
Na6Zn1H4S4O18
33
2
390.85
mp-1516666
10.846252
9.742934
2.926388
other
Ba2Dy2Nb2Sn2O12
20
2
301.08
mp-698191
11.346977
4.030745
-3.700328
other
Na2Ca2B10H32O34
80
2
745.52
mp-1179614
8.862825
2.725022
-2.03913
other
Sb2H6S2O8F12
30
2
419.29
mp-1518297
9.350824
9.214627
2.388393
other
Ba2Eu2Y2Sb2O12
20
2
300.28
mp-1212774
10.85043
5.205269
-5.577634
other
Fe2P2H6C2O14
26
2
280.19
mp-1363241
7.493602
5.052596
-2.016937
other
Cs2Zn5P6H14O28
55
2
722.82
mp-560703
8.043131
2.282497
-1.280056
other
Te12As8S4O8F48
80
2
1,479.1
mp-806996
7.520078
5.009896
-1.806335
other
V1Fe1P2O8F2
14
2
176.21
mp-643387
9.897943
1.724072
-1.509367
other
Al2H4Pb2O4F6
18
2
206.04
mp-695237
8.961768
6.001287
-4.89532
other
Rb4P2H6S2O16
30
2
552.72
mp-1517320
9.389174
9.122159
2.107974
other
Sr2Ca2Pr2Sb2O12
20
2
296.95
mp-1193598
10.111106
7.136693
-1.940722
other
Rb2Na2U2Si4O18
28
2
461.22
mp-1173874
9.750546
7.498242
-5.876933
other
Na2Cd2In8P12O48
72
2
1,014.02
mp-939428
7.545743
5.104447
-1.943702
other
Li2Ni2P2O8F2
16
2
175.97
mp-1190020
1.106669
2.097965
-5.274146
other
Al2Bi4Se4Br2Cl8
20
2
597.35
mp-557736
7.105001
2.584052
-2.439914
other
Te2W2N2Cl8F10
24
2
574.9
mp-1198771
10.368484
2.600891
-3.096134
other
V4Zn4H56O32F16
112
2
1,034.38
mp-2241060
11.683479
11.530538
-1.628689
other
Mg1Mn2V2Bi2O10
17
2
256.92
mp-1217657
10.025814
3.716939
-4.176994
other
Zn1Cu15H24Cl8O24
72
2
772.7
mp-1328634
4.651195
3.177137
-3.865075
other
Pt4C16S8Br8O8
44
2
1,580.3
mp-1228878
7.108752
9.834793
1.094652
other
Ba10Ca1Y4Cu15O35
65
2
889.53
mp-23905
9.477072
3.495909
-5.546797
other
K1Mg1H9C2O10
23
2
220.03
mp-1216960
9.925241
6.940449
-5.648916
other
U1P2C2N2O8
15
2
258.04
mp-667397
5.740424
3.335244
-4.652092
other
P4Ru16C60O56F12
148
2
2,496.19
mp-1201393
9.54802
3.443447
-5.440923
other
Na12U2H48C10O54
126
2
1,283.72
mp-2232474
9.672384
8.190114
-6.455381
other
Mg1Co2P2O8F2
15
2
178.55
mp-1227137
12.423969
6.613335
-0.637741
other
Ca4Ti1Si4Sn3O20
32
2
400.13
mp-1201300
2.380728
2.755248
-3.934385
other
Re4Rh4Br24N20Cl4
56
2
1,488.9
mp-1210486
8.210673
2.453845
-4.764979
other
Na2H20C12N14O14
62
2
622.5
mp-2228593
12.414924
10.680133
-1.434282
other
Mg1V2Te2O7F2
14
2
199.16
mp-1186715
11.862114
7.24982
0.31099
other
Pr4Si2C2N4O8
20
2
274.12
mp-2240053
10.73849
10.96385
0.566456
other
Sr2Mg1Cu1Mo1O6
11
2
175.2
mp-769486
8.208114
6.349401
-6.113237
other
Na6Ni4P4C4O28
46
2
606.01
mp-1520366
11.192139
9.929991
2.2342
other
Ba2Sr2Nb2Sb2O12
20
2
305.38
mp-1196256
12.108992
4.978577
-5.265121
other
Cs2Zn5P6H14O28
55
2
707.58
mp-1523201
6.015032
8.508654
-0.139247
other
Ba2Ca2Gd2Bi2O12
20
2
315.71
mp-1199639
10.935422
4.472189
-4.40538
other
U2Ni1As2H24O24
53
2
578.8
mp-24001
12.961091
5.583256
-6.414314
other
Na2Zn4P4H2O16
28
2
377.21
mp-554248
13.351687
6.525868
-0.762089
other
K2Na2Mn2Si8O20
34
2
494.08
mp-1523003
5.963529
8.435598
-0.160088
other
Ba2Ca2Pr2Bi2O12
20
2
328.41
mp-1190208
10.280048
5.092547
-6.510014
other
Y2Cu1Te2S2O14
21
2
292.36
mp-1218726
8.131894
9.711616
1.547608
other
Sr2Nd1Cu3Pb2O8
16
2
242.03
mp-603245
8.000513
9.674829
-3.731819
other
Rb2Cr4Cu1H4O16
27
2
401.46
mp-1192702
10.877269
12.175177
-3.519393
other
Ba2V4Cu2Ag4O16
28
2
399.52
mp-556657
11.4058
4.444628
-4.999511
other
Gd2P2H10C2O14
30
2
334.48
mp-746793
8.314704
3.978597
-5.861776
other
K2Mn7H18C18O40
85
2
1,105.44
mp-1210338
12.800417
6.472373
-0.880469
other
Na4Mg12Si12H4O40
72
2
742.43
mp-1227507
10.958491
3.936363
-3.738275
other
Ca2Al1H10Br1O8
22
2
248.67
mp-1200576
12.225439
5.204946
-5.409535
other
Na1Sc3P8H14O24
50
2
616.97
mp-1204069
10.24868
4.933179
-4.378177
other
Mg2V10H40N2O44
98
2
968.97
mp-1212704
12.32507
7.801499
-6.053289
other
K14Bi4P12W8O68
106
2
1,660.89
mp-690771
9.113449
2.412593
-4.66925
other
H16C2S2N8O8
36
2
334.66
mp-1516788
5.971703
8.451886
-0.132582
other
Ba2Ca2Sm2Bi2O12
20
2
320.13
mp-735541
10.124187
2.482388
-2.803703
other
Ni4Sn8H48O24F24
108
2
1,252.27
mp-1227000
11.360552
11.106211
-3.954962
other
Cs2Zr1Al2Mo6O24
35
2
629.86
mp-706242
9.066628
11.40661
0.552794
other
Sr20Fe1Co9Mo10O60
100
2
1,284.57
mp-1202311
7.807827
0.20353
-4.534791
other
In4Si8H76C28Br8
124
2
1,779.6
mp-682364
7.510051
5.017226
-1.751797
other
Rb2Zn2B2P4O16
26
2
369.13