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-1228897
10.417989
10.479875
1.694198
other
Ba10Nd4Y1Mo5O30
50
2
800.54
mp-1256989
11.813845
7.040515
-2.0529
other
Li2V2Si8H4O24
40
2
494.27
mp-1521162
8.09329
11.374158
1.412163
other
Ba2Sr2Pr2V2O12
20
2
299.66
mp-1212315
2.957529
2.811422
-3.699415
other
Li2P2H4S6N14
28
2
579.2
mp-758839
11.318357
3.905936
-4.75956
other
Ni1P4H16N2O16
39
2
376.6
mp-1046441
13.893507
6.491538
-6.259612
other
Sr2Ca2Mn2P4O16
26
2
349.47
mp-1233378
10.408529
9.93804
1.684785
other
Sr4Ca1Mn2Ga2O10
19
2
310.85
mp-768623
8.621352
5.600068
-7.741617
other
Li6Fe4P4C4O28
46
2
556.89
mp-540639
7.638767
1.859488
-4.296885
other
Fe1H8C4S4N6
23
2
301.92
mp-1212542
8.106242
1.857895
-4.411967
other
H18C6I2N12O2
40
2
462.58
mp-1215054
4.765982
0.990095
-3.446667
other
Ca2H12W6C4O8
32
2
509.26
mp-1638873
14.131305
7.486736
-6.308214
other
Li6Fe4P8H2O28
48
2
558.79
mp-1212758
9.364332
6.928958
-3.630523
other
Fe2Co3H4Se6O20
35
2
460.85
mp-2230096
12.584471
7.913753
-0.391314
other
Er2Mg1Cu1Ge4O12
20
2
281.22
mp-1224453
11.369983
11.052848
-3.853712
other
Hf1Tl2Fe2Mo6O24
35
2
617.13
mp-1518021
9.040757
9.844987
3.005008
other
Ba2Ca2Eu2Nb2O12
20
2
303.95
mp-755270
14.281216
7.360076
-6.066197
other
Li2Cr2P4H2O14
24
2
276.88
mp-1210406
10.146421
4.69146
-4.4516
other
Na2In2H24Se4O28
60
2
644.27
mp-1520670
5.960569
8.468565
-0.153129
other
Ba2Ca2Dy2Bi2O12
20
2
309.44
mp-1173592
12.659119
7.744327
-7.729023
other
Na6Mn6Fe6P12O48
78
2
920.96
mp-1200655
8.660335
1.624332
-4.490292
other
Bi2H50C16S12O24
104
2
1,230.64
mp-560905
8.883478
3.531181
-6.291931
other
Na4Np2H4C6O18
34
2
449.73
mp-769531
8.565409
5.328573
-7.746217
other
Na6Mn4P4C4O28
46
2
616.62
mp-753596
10.96058
8.223153
-6.965506
other
V2Cr2P4H4O20
32
2
354.82
mp-1193326
4.589062
3.193339
-3.774007
other
Hg4C4N8Cl8O4
28
2
847.58
mp-769500
8.45369
5.737355
-7.281761
other
Na4Mn4P4C4O28
44
2
590.69
mp-569070
7.819102
0.182902
-4.536264
other
In2Si4P2H48C16
72
2
819.49
mp-1238409
8.465976
2.232714
-4.577095
other
H18C6S2N8O6
40
2
387.38
mp-781997
10.119998
3.746834
-4.96454
other
Sm2H20S6N6O22
56
2
591.69
mp-557785
8.176704
0.600798
-4.432865
other
Mn2H42C14S6N2
66
2
742.5
mp-1203988
8.522252
3.086702
-4.740074
other
H30Pd2Ru2N18O22
74
2
823.84
mp-1214156
12.633959
5.289811
-5.246928
other
Ca2Fe1P2H4O10
19
2
196.38
mp-562248
6.178433
4.978998
-4.44561
other
Ag6C2S2N6O12
28
2
412.7
mp-1199575
10.216285
9.392691
-1.963814
other
Ba4Cu4Te8Br4O22
42
2
748.58
mp-1192898
6.335231
4.007526
-4.097722
other
Cd1Re2C4N8O12
27
2
493.14
mp-1214776
7.396649
2.513157
-3.136019
other
B2H4S6N6F8
26
2
398.88
mp-1205190
11.300077
7.432295
-4.45266
other
Cs4Mo4As4H8O28
48
2
713.02
mp-779314
14.686641
7.662947
-5.674358
other
Li8Cr4P4H4O20
40
2
413.61
mp-1205476
10.096208
4.708229
-4.244398
other
Na6V2H22I2O26
58
2
604.29
mp-605125
8.807816
4.430879
-4.96225
other
Rb8Ce2H24C6O34
74
2
1,116.23
mp-1517687
11.426546
10.087299
1.289849
other
Ba2Sr2Ce2W2O12
20
2
311.99
mp-1580470
9.576856
3.68437
-8.063997
other
K12Co4P4C4O28
52
2
755.51
mp-570146
7.91233
0.157852
-4.569301
other
Zn2Si8As4H72C24
110
2
1,299.95
mp-24528
7.655506
1.852069
-4.309784
other
Cr1H8C4S4N6
23
2
312.87
mp-1379859
7.586384
5.193935
-1.796936
other
Sr2Ca2Fe2P4O16
26
2
344.17
mp-1516716
11.053018
9.49392
2.828248
other
Ba2Ca2Ce2Nb2O12
20
2
305.37
mp-1190336
10.445016
5.101276
-6.405166
other
Ho2Co1Te2S2O14
21
2
293.89
mp-1521269
8.707103
9.209031
1.509019
other
Ba2Ca2Eu2Sb2O12
20
2
304.59
mp-1201449
8.537342
1.476475
-4.518895
other
Cu1H38C12S8O14
73
2
804.21
mp-1198149
8.588158
5.896134
-5.540301
other
Mn2P6C2N4O28
42
2
718.31
mp-1197917
9.837378
3.549917
-5.330906
other
Ba2Al4H20C4O26
56
2
541.62
mp-887374
14.222812
8.479775
-7.228703
other
Li12Mn2V6P12O48
80
2
863.32
mp-1204102
8.720695
1.708115
-4.570878
other
H96C32S16N16O40
200
2
2,165.15
mp-1214114
8.026415
2.732602
-2.118014
other
C2S2N2Cl4F10
20
2
349.61
mp-1419857
7.081043
6.308181
-2.964273
other
Fe1Cu1As2Pb1O10
15
2
205.83
mp-723082
10.485975
4.016645
-4.109661
other
Na5Te2H36Au1O28
72
2
675.41
mp-798760
9.337341
4.659385
-4.000923
other
Cr1H10S2N4O8
25
2
227.31
mp-1180509
9.548715
2.905408
-4.357685
other
Mo2H16N4O10F4
36
2
350.78
mp-1212320
7.4116
2.212373
-3.315712
other
Hg2H8C24O6F16
56
2
794
mp-722467
10.21652
3.43728
-4.478989
other
Cd1H18Se4N4O14
41
2
424.3
mp-1192578
12.480108
6.334801
-0.383447
other
K2Ca4U1Si4O16
27
2
404.58
mp-707400
9.121076
4.860332
-4.48187
other
K2H17Ru2S4O24
49
2
692.35
mp-1173582
11.693022
7.321495
-7.385461
other
Na6Zn6Fe6P12O48
78
2
892.45
mp-560022
1.695266
1.798097
1.412364
other
Ba18Nb4C2N20O2
46
2
978.81
mp-1516652
6.094482
8.598973
-0.398338
other
Ba2Ca2Eu2Bi2O12
20
2
318.83
mp-555108
9.15451
2.202444
-4.550626
other
P2H18C2N8O8
38
2
361.91
mp-1046114
14.455258
7.888893
-3.886204
other
Sr2Ti2Zn2P4O16
26
2
330.29
mp-779351
12.572984
5.38293
-5.622468
other
Li4Mn1P6H8O22
41
2
435.43
mp-505404
10.388937
2.620567
-3.126307
other
Mn2Cu3H24O12F12
53
2
475.46
mp-1247909
8.530003
8.826775
1.775642
other
Ba10Pr5Sn2Sb3O30
50
2
835.15
mp-1210869
13.291384
6.321846
-7.043409
other
Li2Ga2P2O8F2
16
2
172.96
mp-707875
13.415976
6.750252
-1.651091
other
Mn9Al2Si8H8O32
59
2
638.59
mp-1341074
7.656064
5.10339
-1.716412
other
Sr2V2Zn2P4O16
26
2
330.18
mp-2223087
11.446274
9.817241
2.1218
other
La2Mg1Ti1Co1O6
11
2
187.56
mp-1176347
9.567153
3.812754
-8.508912
other
Na10Fe4P4C4O28
50
2
630.36
mp-777048
10.659369
9.012076
-7.549352
other
Mn2V2P4O16F4
28
2
354.01
mp-1191501
10.241039
3.067728
-4.756694
other
Fe1H10S2N4O8
25
2
231.5
mp-1202796
10.124894
3.187603
-3.963576
other
H22C2S2O16F6
48
2
497.04
mp-778991
13.602957
6.907009
-6.580813
other
Li4Mn4P8H4O28
48
2
552.22
mp-779330
10.428136
4.225135
-5.266701
other
Li8Mn4H32S8O48
100
2
1,089.95
mp-1196398
7.974254
0.234757
-4.51213
other
Si12Sb4H72C24O6
118
2
1,614.96
mp-1522764
9.197727
9.108248
2.233642
other
Ba2Ca2La2Sb2O12
20
2
313.33
mp-695928
11.318604
4.537519
-4.682235
other
Co4P4H24O24F4
60
2
556.38
mp-1227165
12.521458
6.553535
-0.736125
other
Ca4Ti3Si4Sn1O20
32
2
387.34
mp-754131
9.751995
8.050005
-6.192544
other
Li2Ni2P2H2O10
18
2
172.82
mp-1176369
8.183591
6.313981
-6.314583
other
Na6Ni4P4C4O28
46
2
558.67
mp-1045695
8.669637
1.640299
0.951801
other
Ba4Mg2Cu2Sb4F28
40
2
630.81
mp-1226695
9.004531
1.604952
-4.232732
other
Co2H30Br4N12O4
52
2
514.38
mp-1212546
8.443068
2.664756
-4.610041
other
H18C6N12Cl2O10
48
2
532.22
mp-779362
15.541168
5.914252
-2.171794
other
Li4Mn2Fe2B4O12
24
2
253.12
mp-1194712
11.818466
7.370769
-1.476288
other
Pr10Si4Se6O34F2
56
2
809.16
mp-865272
12.093559
5.134431
-5.283304
other
Tl4Co2P8H16O32
62
2
774.95
mp-1201490
12.089728
7.084007
-7.09176
other
Rb7Gd1Fe6P8O34
56
2
822.88
mp-1213332
10.891418
5.473371
-5.333588
other
Fe6Cu1P4H16O28
55
2
523.92
mp-759553
8.410219
0.791074
-4.553153
other
As12H48C16S20N4
100
2
1,473.43
mp-1209730
7.674862
2.556638
-3.429533
other
Tb2H16C42O20F30
110
2
1,314.24
mp-1182192
6.990668
6.869051
-3.832645
other
K2Na8Te4Pd2O44
60
2
953.34
mp-695935
10.348081
4.230431
-6.286315
other
Na6Zn1H4S4O18
33
2
390.85
mp-1193546
4.14501
2.438398
-3.348234
other
Rb4Pt2C8N8Cl4
26
2
629
mp-560125
7.91952
3.542113
-3.434631
other
Hg2C2S2O6F6
18
2
315.43