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-25421
8.93098
4.875907
-7.958287
other
Li4V4P4C4O28
44
4
588.99
mp-1197340
9.402968
6.225459
-4.041529
other
Cs8As2H10Se6O32
58
4
1,045.56
mp-771339
9.408697
3.816549
-8.519108
other
Li12Co4P4C4O28
52
4
559.93
mp-1213608
9.654626
5.15061
-5.478502
other
In4H16S8N4O32
64
4
998.17
mp-1177007
11.986304
8.01159
-8.244161
other
Li12Mn6V2P12O48
80
4
938.26
mp-759523
13.395285
8.287416
-7.666739
other
Li4V2Fe2P8O28
44
4
537.95
mp-25418
9.499104
3.889472
-8.05253
other
Li2Ti2P2C2O14
22
4
309.11
mp-1196385
10.454262
9.629319
-4.172861
other
V12H4Pb8Se6O52
82
4
1,166.84
mp-1199842
9.220588
7.406644
-4.682076
other
Zn8P6C6N6O26
52
4
922.94
mp-42091
10.292264
4.521115
-6.731883
other
K6Sn4S6Cl2O24
42
4
717.14
mp-770935
9.254648
3.877131
-7.978103
other
Na6Cu2P2C2O14
26
4
315.68
mp-772809
9.899063
4.051855
-7.675091
other
K2Sn2P2C2O14
22
4
371.49
mp-721287
10.809419
3.981948
-4.160611
other
Na6As2H28S2O20
58
4
611.83
mp-1201848
10.030167
5.034277
-4.420298
other
K2V2H12Se2O18
36
4
418.32
mp-1201992
7.833951
6.85598
-3.492568
other
La2V2H4I8O30
46
4
688.34
mp-758760
9.506886
7.990671
-5.722428
other
Li2Fe2P4H2O16
26
4
291.3
mp-1216100
13.008469
5.577777
-0.626136
other
Y4Be2Al2B2O14
24
4
259.14
mp-771324
9.72323
3.588701
-8.082874
other
Na6Ca2P2C2O14
26
4
337.72
mp-770332
9.174252
3.951027
-7.134315
other
Na2Bi2C2S2O14
22
4
381.63
mp-1193551
9.301087
7.24771
-3.588664
other
Sr2Cu4Se4Cl4O12
26
4
431.56
mp-561223
13.69318
6.384714
-6.328403
other
K4Sr6Mn4P12O42
68
4
1,005.43
mp-699146
11.832045
7.514334
-1.078378
other
Mg6Al2Fe2Si6O24
40
4
344.28
mp-25412
8.0334
6.70156
-5.516136
other
Li2Ni2P2C2O14
22
4
278.48
mp-759656
13.685211
7.122053
-6.974339
other
Li6Mn2P4H2O16
30
4
315.4
mp-554401
10.15835
9.441317
-1.95868
other
Ba2Cu4Te4Cl4O12
26
4
473.78
mp-1177776
13.389132
8.290467
-7.671863
other
Li4V2Fe2P8O28
44
4
536.04
mp-759760
13.400427
8.293622
-7.664781
other
Li4V2Fe2P8O28
44
4
535.77
mp-767415
13.676155
7.28196
-5.486689
other
K2Nb2P2C2O14
22
4
369.24
mp-25466
8.176931
6.465859
-5.915393
other
Li2Cu2P2C2O14
22
4
270.79
mp-772118
8.19559
5.372694
-6.169071
other
Na2Cu2C2S2O14
22
4
319.78
mp-768207
9.694438
3.843871
-8.210207
other
Li4Sb2P2C2O14
24
4
315.87
mp-772844
9.506498
3.782425
-7.930015
other
K2Ti2P2C2O14
22
4
356.1
mp-1223492
10.348076
4.494217
-6.861982
other
Na12Pb8S12Cl4O48
84
4
1,243.57
mp-554592
8.093572
3.582207
-3.846356
other
Cs2C2S2O6F6
18
4
336.81
mp-758619
12.352035
5.252979
-5.395379
other
K8P8H8O24F8
56
4
821.33
mp-777582
14.230386
8.501652
-7.46117
other
Li12Mn2V6P12O48
80
4
927.52
mp-1193007
8.156931
6.878529
-3.58931
other
Na2V2H4I4O18
30
4
423.62
mp-771341
9.526235
3.833992
-8.025723
other
Li6Be2P2C2O14
26
4
267.34
mp-1204899
8.10123
1.126661
-3.861599
other
Zn6Sb4H36Se12N18
76
4
1,228.89
mp-1520590
9.760488
9.592055
3.986822
other
Ba2Sr2Hf2Zr2O12
20
4
293.13
mp-1220179
10.588276
10.093921
1.845543
other
Nd2Ti2Nb2Bi4O18
28
4
383.39
mp-774682
8.584369
5.366041
-7.748967
other
Na6Mn4P4C4O28
46
4
608.05
mp-1204363
8.243781
0.821914
-4.513326
other
Sn2H20C6Br6N2
36
4
649.06
mp-1224587
11.17175
6.865704
-1.588232
other
K6Na2Si12Sn4O40
64
4
965.2
mp-730691
11.772743
4.769651
-3.797427
other
Ca2U4Si4H24O34
68
4
754.83
mp-755339
14.043389
7.310336
-6.706654
other
Li2Mn4P4H2O16
28
4
331.92
mp-770759
9.045865
4.075946
-7.06759
other
Li2Bi2C2S2O14
22
4
349.59
mp-770902
8.295204
6.199839
-6.339701
other
Li2Fe2As2C2O14
22
4
307.89
mp-766101
11.577025
7.450666
-7.474652
other
Li8Fe4P8H4O32
56
4
581.34
mp-676501
10.296097
4.512689
-6.687856
other
K6Sn4S6Br2O24
42
4
723.59
mp-769584
8.448911
5.693488
-7.304451
other
Na2Mn2P2C2O14
22
4
297.08
mp-760164
13.392843
8.290426
-7.667815
other
Li4V2Fe2P8O28
44
4
537.16
mp-558147
10.21466
4.362507
-4.867629
other
Tl2V2H12S2O18
36
4
407.68
mp-1105335
11.033966
11.164095
0.297184
other
K2Y2Mn2W2O12
20
4
263.86
mp-698691
13.226287
5.861645
-7.259985
other
K8Ti6Ni2P12O48
76
4
990.34
mp-1238928
10.726148
3.568577
-4.435585
other
Co2P6H32N8O22
70
4
770.53
mp-772605
9.736305
4.258416
-7.493412
other
Na2Sn2As2C2O14
22
4
353.89
mp-754499
8.467525
5.041059
-6.972269
other
Li2Mn2C2S2O14
22
4
300.52
mp-1105823
11.177849
11.174442
0.307158
other
Na2La2Fe2W2O12
20
4
256.6
mp-1229072
11.290289
7.648811
-4.36842
other
Al2Ga2Cu4As4O20
32
4
439.91
mp-1178159
8.765291
5.313495
-7.388907
other
K2Cr2P2C2O14
22
4
343.21
mp-1224128
8.992863
4.761558
-5.102357
other
K6Sn4S6Cl2O6
24
4
572.04
mp-752696
9.585964
3.690736
-8.467244
other
Li6Fe2P2C2O14
26
4
277.79
mp-600236
7.763579
1.472794
-4.390862
other
Cu8H40C24S12N16
100
4
1,255.58
mp-704534
14.027032
5.202956
-7.27054
other
K8Zr6Mn2P12O48
76
4
1,116.5
mp-1229305
11.032054
6.701309
-3.124672
other
Ag28H16I8O10F20
82
4
1,297.63
mp-554329
10.114522
4.332032
-4.888047
other
Rb2V2H12S2O18
36
4
411.16
mp-1101475
10.331184
4.402498
-7.511613
other
Na2Si2P2C2O14
22
4
288.31
mp-725545
4.987771
2.921769
-3.485005
other
Ag2W2C18S8N6
36
4
962.89
mp-1222973
12.694473
5.715187
-1.842866
other
Mg4Al4Si2H8O18
36
4
351.64
mp-1173724
1.259805
1.667414
-5.076153
other
Na4Gd8N2Cl18O2
34
4
811.9
mp-679630
9.073915
2.425472
-1.748532
other
Ba4Be2S2O8F8
24
4
365.49
mp-1212612
10.360723
4.150024
-5.267326
other
Rb4In4H32S8O48
96
4
1,085.09
mp-768612
8.537535
5.182371
-6.996695
other
Li2Cr2As2C2O14
22
4
294.97
mp-676956
13.299925
4.735939
-2.791165
other
Zn16B8H6O30F2
62
4
732.53
mp-1105944
8.645474
3.815044
-4.748189
other
H2S4N2O8F4
20
4
287.93
mp-771385
9.696501
3.559063
-8.481585
other
Na12Mn4P4C4O28
52
4
652.79
mp-1216271
11.229244
8.737407
2.082509
other
Y6Er2Ti8Si4O36
56
4
662.21
mp-771332
10.214573
4.166046
-7.312072
other
Na12V4P4C4O28
52
4
650.83
mp-772755
9.202957
3.79429
-8.428005
other
Li6Cu2P2C2O14
26
4
270.78
mp-766112
13.898805
8.437254
-7.560742
other
Li8Mn2V6P16O56
88
4
1,121.17
mp-1218783
13.472274
4.635384
-2.168052
other
Sr6Ga6B8H2O28
50
4
607.14
mp-767688
8.781153
5.333495
-6.942967
other
Na2Nd2P2C2O14
22
4
369.73
mp-1237102
8.650437
11.208624
0.871687
other
Nd2Mn2Fe2Bi2O12
20
4
244.6
mp-753649
9.883224
3.91439
-7.705605
other
Li2Zr2P2C2O14
22
4
335.2
mp-781684
10.106685
4.391578
-4.75952
other
Li2Ni2H24S4O28
60
4
574.75
mp-768815
9.529298
4.635169
-7.173371
other
Na2Sb2As2C2O14
22
4
369.06
mp-774491
8.200438
6.357488
-6.108752
other
Na6Ni4P4C4O28
46
4
587.44
mp-769540
8.580703
5.343692
-7.768723
other
Na6Mn4P4C4O28
46
4
615.45
mp-771264
9.550535
3.619377
-8.122648
other
Na6Zn2P2C2O14
26
4
315.41
mp-1238703
10.962774
4.81937
-5.186692
other
Fe4P4H12C4O26
50
4
660.3
mp-1220474
9.305175
1.764807
-4.460035
other
P4H40C8N4O16
72
4
657.31
mp-1177546
13.210271
8.378691
-8.068727
other
Li12Mn4V4P12O48
80
4
935.3
mp-780157
10.25995
4.290893
-4.769896
other
Li2Fe2H24S4O28
60
4
620.36
mp-1238333
8.820186
2.526892
-5.046242
other
Mn6H42C18N6O36
108
4
1,228.09
mp-1227859
12.2527
6.857692
-6.808604
other
Ca6Cu4Ni2P8O32
52
4
661.13
mp-770348
9.014486
4.153944
-7.897063
other
Li8V4Si4C4O28
48
4
544.78
mp-720802
10.332128
4.34331
-5.993806
other
Na12Hf2H16S10O48
88
4
1,039.8
mp-768172
9.92624
3.759343
-8.097984
other
Na4Sn2P2C2O14
24
4
352.01
mp-768661
8.900275
4.653987
-7.142312
other
Na2Fe2C2S2O14
22
4
318.92