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-24267
11.3067
3.78964
-4.796274
other
Zn1P4H16N2O16
39
2
387.61
mp-1520099
6.718575
10.107
0.458465
other
Ba2Sr2Eu2Cr2O12
20
2
292.37
mp-560327
8.536577
3.489576
-6.22454
other
Na4Sn4C6O12F6
32
2
475.85
mp-755726
8.963522
4.778275
-8.436493
other
Li4Fe2P2C2O14
24
2
276.65
mp-800838
8.754777
5.052583
-3.112887
other
Mn2Al2P4H30O30
68
2
627.92
mp-1225216
8.696239
8.242297
-4.24941
other
Fe2Co2Bi4As4O24
36
2
489.97
mp-24597
9.666561
2.836146
-4.455177
other
Cr2Cd1H14N4O8
29
2
290.06
mp-19130
13.584793
6.887331
-0.748816
other
K2Na2Fe2Si8O20
34
2
490.12
mp-1194736
10.097256
4.523869
-7.238837
other
Na10Mn6S8O32F8
64
2
822.92
mp-732160
9.087312
4.118669
-4.185185
other
K2Mn2H8Cl6O4
22
2
362.07
mp-1204593
10.384235
2.757228
-3.140542
other
V4Co4H56O32F16
112
2
1,047.41
mp-744187
11.473801
8.266592
-3.423068
other
Na2Ni4Mo4H5O20
35
2
408.94
mp-695403
9.651486
10.440767
3.386248
other
Ba6La6Mg3Ti9O36
60
2
767.31
mp-1520398
5.918611
8.525286
-0.171181
other
Sr2Ca2Tb2Bi2O12
20
2
298.42
mp-568872
7.858722
0.188906
-4.54999
other
In2Si4As2H48C16
72
2
839.62
mp-25465
9.819174
8.30254
-6.684524
other
Li2Co2P2O8F2
16
2
177.04
mp-1200426
10.118876
7.591139
-6.236643
other
Sr4Fe4P6O24F4
42
2
572.24
mp-1210346
12.097097
6.451189
-0.759355
other
Na1Ca6Ti1Si4O18
30
2
410.14
mp-758231
11.474199
5.584777
-3.554904
other
Li2Mn6Al4H12O24
48
2
437.59
mp-753135
10.231076
3.050303
-4.742588
other
Cr2H20S4N8O16
50
2
459.13
mp-769496
8.211763
6.332631
-6.131602
other
Na6Ni4P4C4O28
46
2
602.98
mp-1199603
10.256019
4.921552
-4.354789
other
Mn2V10H40N2O44
98
2
977.75
mp-698941
11.221019
7.864863
2.898176
other
Nd10Fe10As10O8F2
40
2
751.92
mp-1331066
4.956113
3.634537
-3.53467
other
K3Re1C4N4O2
14
2
356.41
mp-2229218
11.540496
7.625256
-2.026206
other
Mg1Zn2Fe2Si2O10
17
2
192.9
mp-781859
12.094217
4.948966
-5.080727
other
Li2Cu4P6H16O26
54
2
568.52
mp-757470
12.110886
4.932153
-5.222324
other
K2Zn1P4H8O16
31
2
370.49
mp-1203079
7.578008
0.392051
-4.169779
other
Na2Li2B4H20N4
32
2
293.61
mp-561571
10.125148
2.458791
-2.807899
other
Co4Sn8H48O24F24
108
2
1,264.12
mp-697540
10.950083
4.155768
-3.722631
other
K6Ge2H4N2O6
20
2
311.25
mp-707732
12.047615
4.969732
-5.222435
other
Na4Zn1P6H12O24
47
2
559.54
mp-2217329
11.658959
10.636525
0.918787
other
Sr2Mg1Mn1Mo1O6
11
2
160.09
mp-1214144
12.306459
4.98987
-5.421249
other
Ca2Zn1P2H4O10
19
2
192.85
mp-1190354
8.330132
6.746581
-5.285896
other
Yb2Zn1Te2S2O14
21
2
316.84
mp-1194939
10.429167
4.273041
-7.351827
other
Na12Mn3S6O24F8
53
2
708.79
mp-1522632
7.526232
8.475921
0.974293
other
Ba2Sr2Pr2Hf2O12
20
2
327.29
mp-1187832
12.106743
4.979293
-5.228484
other
Tl2Zn1P4H8O16
31
2
380.99
mp-1223158
13.344069
6.006804
-7.552029
other
Na1Eu1Ti8P12O48
70
2
924.56
mp-770588
10.476734
4.273783
-5.748437
other
Li4Fe2H8S4O20
38
2
389.32
mp-1200159
10.219435
4.307796
-4.661737
other
Mg1Fe4H42S6O46
99
2
998.49
mp-707960
8.037752
1.540867
-4.409908
other
Zn2H24C4N12Cl8
50
2
660.46
mp-1227904
8.302735
7.890415
-4.093861
other
Ca6Mg2Co1As6O30
45
2
632.62
mp-1221695
12.333496
7.590337
-6.905257
other
Na4Co12P8H4O37
65
2
794.86
mp-1220589
9.843828
3.954237
-4.909834
other
Ni1H8S2N4O8
23
2
214.66
mp-1221556
10.101897
5.041329
-4.363098
other
Na4Mg1V10H44O52
111
2
1,147.4
mp-1197753
7.904819
1.395682
-4.397008
other
Cu1Ni1H16C8N8
34
2
401.2
mp-1226333
7.436177
1.859322
-4.269113
other
Co1H8C6N6O2
23
2
277.12
mp-1106282
4.551162
2.293627
-3.297425
other
K2B2C6N6F2
18
2
356.76
mp-706305
10.619548
3.135909
-4.539848
other
P12H52N14Cl2O38
118
2
1,267.82
mp-1199230
7.832053
0.1568
-4.497177
other
In2Si8H76C28Cl2
116
2
1,285.63
mp-1198198
7.883275
0.190977
-4.463861
other
Si16Sn4H140C48N8
216
2
2,627.18
mp-818996
7.282578
4.866048
-1.724179
other
K2Cr2Cd1H4O10
19
2
260.47
mp-1193289
8.441356
2.39528
-1.491909
other
As2H4S2N2F20
30
2
404.33
mp-728138
7.980708
6.151018
-3.290254
other
K6Mo8H12O32F2
60
2
842.67
mp-1204400
7.728353
1.93354
-4.361214
other
Bi2H12C6S12N6
38
2
664.3
mp-1522804
9.201003
9.104419
2.375942
other
Ba2Sr2Sm2Sb2O12
20
2
309.9
mp-1228515
9.894009
10.99727
1.23387
other
Ba8Sr3Ca1W4O24
40
2
650.85
mp-1200729
7.941095
5.893629
-4.789608
other
Na3Ga1P6N6O24
40
2
640.29
mp-1417095
7.923456
5.325321
-2.470728
other
Ca2P2H8O10F2
24
2
259.35
mp-768098
8.204852
6.348123
-6.122036
other
Na6Ni4P4C4O28
46
2
599.28
mp-1518051
9.826138
9.00932
2.412618
other
Ba2Sr2Ce2Sb2O12
20
2
322.09
mp-720710
9.95923
4.308744
-6.094851
other
K6H4S4N2O14
30
2
435.01
mp-1405864
7.776192
5.289881
-2.042189
other
V1Fe1P2O8F2
14
2
176.21
mp-1195867
10.897512
3.818331
-4.247633
other
Na4Mg4P4H72O52
136
2
1,179.05
mp-1218906
9.010626
11.432613
1.033675
other
Sr10Mg5Mo3W2O30
50
2
642.88
mp-759269
11.074237
7.799093
-5.288347
other
Fe2Cu1As2H2O10
17
2
200.32
mp-2232581
11.245329
7.985686
-8.024442
other
Mg1Mn2P2O8F2
15
2
183.18
mp-1177175
9.387469
3.859773
-8.626634
other
Li10Fe4P4C4O28
50
2
554.75
mp-1201704
2.68304
2.870853
-4.53186
other
P12W8N8Cl60O12
100
2
2,971.48
mp-1191603
9.766538
9.416093
-2.386591
other
Yb2Cu3Te4Cl4O12
25
2
418.68
mp-504943
12.493007
5.283575
-5.619139
other
K4Na4P8H8O28
52
2
706.13
mp-557399
10.316021
4.599428
-6.653281
other
K2Sn2S2O8F2
16
2
279.6
mp-1312241
8.697764
3.595676
-7.174533
other
Ca8Mg4Fe4C16O48
80
2
897.86
mp-25407
11.355186
7.864303
-7.600888
other
Li2Fe2P2O8F2
16
2
181.4
mp-1197214
8.397912
3.489048
-4.549226
other
H18C4N10Cl4O16
52
2
550.46
mp-24307
7.655826
1.863575
-4.262348
other
Cd1H8C4S4N6
23
2
322.1
mp-1200629
8.29471
3.301267
-4.839105
other
Co1H14C2N12O12
41
2
438.06
mp-1361141
7.54421
4.825965
-1.596241
other
K2Al1Mo3P8O28
42
2
567.99
mp-1046096
14.395415
7.861968
-3.77213
other
Sr2Mg2Ti2P4O16
26
2
322.71
mp-1238442
8.710098
5.122642
-5.237392
other
K2Co1H2S2O10
17
2
274.99
mp-765139
11.189435
9.025256
-7.458924
other
V2Cr2P4O16F4
28
2
348.6
mp-1222854
13.608588
6.859144
-7.047667
other
Li2Ti4Co1P4O20
31
2
353.61
mp-707027
12.956587
6.328763
-0.570483
other
Ca2Sc2Si6H2O18
30
2
359.1
mp-1520602
8.248475
11.319023
1.450562
other
Ba2Sr2La2V2O12
20
2
303.53
mp-1577282
10.236501
3.045741
-4.750214
other
Fe4H40S8N16O32
100
2
928.02
mp-1375395
7.664677
5.097417
-1.699352
other
Sr2Mg2V2P4O16
26
2
328.94
mp-780662
12.092292
5.028845
-5.09302
other
Li2Cr2P6H16O26
52
2
587.58
mp-1519366
9.182974
9.07098
2.283992
other
Ba2Sr2Pr2Sb2O12
20
2
318.41
mp-1203730
7.823355
0.179905
-4.475471
other
In2Si8H78C28O2
118
2
1,359.19
mp-1522515
5.734666
10.571822
-0.015667
other
Ba2Sr2Pr2Co2O12
20
2
292.68
mp-1220238
10.463274
6.108726
-4.847013
other
Rb2Na4V10H20O38
74
2
867.22
mp-753451
14.464161
7.741573
-5.595529
other
Li2Fe4P4H2O16
28
2
363.77
mp-561632
12.44842
6.958579
-6.399051
other
Zn4Co4P4H4O20
36
2
420.03
mp-943466
13.090582
6.714042
-6.830699
other
Li8Co4P4H4O20
40
2
387.5
mp-769520
8.565023
5.313706
-7.760588
other
Na6Mn4P4C4O28
46
2
621.7
mp-1383162
8.036815
5.356616
-2.82749
other
U1P2C2N2O8
15
2
258.04
mp-1520896
10.938215
9.776306
2.918
other
Ba2Y2Nb2Sn2O12
20
2
301.32
mp-41795
13.180761
6.080469
-6.696815
other
Li2Al2P2O8F2
16
2
162.83
mp-803041
7.509747
4.837816
-1.565156
other
Li8Mn2V2P6O24
42
2
491.41
mp-1522982
5.996609
8.470528
-0.094293
other
Ba2Ca2Nd2Bi2O12
20
2
325.15