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-2229655
12.568199
6.755746
-3.62065
other
Mg1Fe4H4O8
17
2
201
mp-1283691
7.865575
14.547794
-1.087476
other
Li6Cr2Co4O12
24
2
219.25
mp-1181288
7.833069
6.785334
-4.079729
other
Na4Mo4As6O32
46
2
770.19
mp-652961
11.732891
7.490635
-0.397245
other
La6Ga2Ge10O32
50
2
635.24
mp-541946
-4.080087
-2.458526
-3.185358
other
K8Th4P12Se36
60
2
1,722.89
mp-1221764
9.295374
7.189018
-3.525225
other
Mn1Cu3Se4O12
20
2
245.46
mp-699173
8.28991
2.018615
-0.823194
other
Cs2H2I2F14
20
2
346.17
mp-725837
7.565711
5.241528
-2.519549
other
Nd2H24N6O30
62
2
654.09
mp-22806
11.416684
7.721228
-7.527509
other
Fe2P4Pb1O14
21
2
257.13
mp-1214376
6.202356
5.089405
-4.406143
other
Bi2H10N6O18
36
2
621.21
mp-780510
13.382515
5.510912
-2.957136
other
Li2Mn6B6O18
32
2
375.81
mp-1312869
7.943056
14.140849
-1.510962
other
Li2Cr2Co2O8
14
2
142.8
mp-23635
-2.743329
0.580193
-3.531922
other
Tl2Re12Se16Cl6
36
2
897.86
mp-755172
11.74164
13.269474
-0.583799
other
Li5V3Fe2O10
20
2
189.89
mp-505179
9.822309
4.478116
-4.206984
other
Na2H12Br2O10
26
2
292.58
mp-818600
10.704769
8.927157
-7.020115
other
Rb3V3P6O24
36
2
499.41
mp-850881
14.508933
5.235044
-2.697825
other
Li4Mn6B6O18
34
2
371.56
mp-561400
8.46072
1.478454
0.692191
other
Na1Zr2Ag1F11
15
2
241.01
mp-1214061
8.207408
7.702237
-4.294806
other
Ca2P4H2O16
24
2
408.61
mp-1105337
10.697614
7.637823
2.43586
other
Sm6B2S6O6
20
2
353.3
mp-510022
10.398425
4.495082
-4.367194
other
Mn2H20Se2O18
42
2
413.4
mp-1370903
13.749966
7.348316
-6.741922
other
Mn4Zn4P8O28
44
2
535.61
mp-1203306
10.359775
3.295407
-3.846618
other
Sc2H22I4O12
40
2
569.86
mp-1192576
11.875954
11.361329
-2.309391
other
Er4W4Br4O16
28
2
491.33
mp-1175680
3.787057
23.081484
-1.450336
other
Li9Mn2Co5O16
32
2
281.53
mp-766457
13.570616
6.752592
-6.358183
other
Li4Sn4P8O28
44
2
606.59
mp-504828
8.216002
4.083499
-4.520127
other
Nd2H24N6O30
62
2
597.16
mp-1182651
7.530546
7.317122
-4.2782
other
Ca8Mg2As8O54
72
2
1,089.93
mp-1079663
1.745854
2.716168
-5.716371
other
Cs2Ca1Cl4O2
9
2
273.92
mp-644245
11.955792
4.771432
-5.030996
other
Na4P2H6O10
22
2
230.95
mp-725054
7.549563
4.828348
-1.680079
other
Li2Ti4P6O24
36
2
466.4
mp-764860
11.3192
13.493441
-1.196103
other
Li12V4O12F4
32
2
290.81
mp-669578
-3.27954
-2.242558
-5.715766
other
Rb2Gd4Cu4S9
19
2
427.81
mp-1194515
7.465293
6.910201
-4.485789
other
U2Cu1S2O22
27
2
467.06
mp-1367663
7.831295
5.302264
-1.747793
other
Li5Ni3Sn2O10
20
2
193.81
mp-1174126
5.529449
19.277029
-1.262437
other
Li4Mn1Co3O8
16
2
147.85
mp-753328
6.81022
18.987738
-0.567523
other
Li5Mn3Co2O10
20
2
188.79
mp-1234803
12.660691
6.943231
-1.31983
other
Mg1Mn4Si8O22
35
2
438.36
mp-1211818
9.269526
6.203795
-3.996987
other
K4H5Se4O16
29
2
459.15
mp-768284
13.985127
4.600709
-2.276126
other
Li6Sn2B10O20
38
2
441.1
mp-1191449
9.243676
3.631224
-5.156364
other
U2H6C2O12
22
2
275.72
mp-1175553
3.9959
22.836021
-1.319037
other
Li9Mn2Co5O16
32
2
285.5
mp-1174262
7.220912
18.68848
-0.373428
other
Li4Mn3Co1O8
16
2
153.65
mp-1174425
3.901401
23.178835
-1.289953
other
Li8Mn2Co4O14
28
2
250.34
mp-886355
7.435699
4.794477
-1.596376
other
Li5Mn3Ni2O10
20
2
183.85
mp-753542
8.127106
14.762928
-0.865253
other
Li3Mn3Fe2O10
18
2
188.43
mp-758636
14.604933
7.798569
-5.697202
other
Li4Fe6P8O28
46
2
525.42
mp-773051
9.423927
6.856286
-3.627743
other
Li4Mn6Se8O24
42
2
611.59
mp-1374732
7.66746
5.47761
-1.792897
other
Li8Mn2Co4O14
28
2
252.69
mp-1573955
15.019078
8.184983
-5.105194
other
Li8V4P8O28
48
2
555.7
mp-18097
14.281894
8.610723
-6.39059
other
V4Zn3P6O24
37
2
425.6
mp-1194124
10.030127
10.593151
-3.748196
other
Yb4Mo4Br4O16
28
2
531.89
mp-757652
10.219427
3.032262
-4.64079
other
H52S8N12O32
104
2
925.76
mp-558344
14.547802
8.625889
-4.746711
other
V4Sn4P4O20
32
2
423.31
mp-2220263
12.792698
6.834038
-1.237824
other
Mg1Mn4Si8O22
35
2
460.08
mp-668113
7.835196
6.125753
-2.302049
other
Ca2U2Se4O16
24
2
385.24
mp-556753
9.885164
10.427732
-3.564829
other
V2Cu5H4O12
23
2
241.26
mp-558156
10.114541
12.081269
-3.883318
other
V6Fe4Cu3O24
37
2
481.27
mp-726261
6.25916
3.874812
-4.452719
other
Cu2C6N4O10
22
2
378.9
mp-1275013
7.189405
15.478494
-1.0693
other
Li8Ti2Co6O16
32
2
293.72
mp-556474
13.017954
6.209788
-2.474885
other
Pr4B4Mo2O18
28
2
372.08
mp-1106013
5.164837
4.803454
-4.161624
other
Mg1Hg3Cl8O6
18
2
518.62
mp-1173940
5.417361
19.97788
-1.131447
other
Li3Mn1Co2O6
12
2
111.68
mp-553895
10.842947
11.36445
-2.701672
other
Sr1V4Bi6O20
31
2
458.56
mp-2233628
7.338662
13.180773
-1.738233
other
Mg1Co3Sb1O8
13
2
155.66
mp-1209668
8.262384
10.6438
0.234643
other
Sr6H10Os4O16
36
2
538.19
mp-774579
13.502954
6.01674
-7.551883
other
Li4Ti8P12O48
72
2
917.94
mp-767568
10.234753
8.328362
-7.095417
other
Li3Mn4P6O24
37
2
418.41
mp-758719
10.426365
13.720877
-0.984086
other
Li8V4Fe6O20
38
2
375.75
mp-25426
9.926743
8.372154
-7.103455
other
Mn2P2O8F2
14
2
169.5
mp-769609
11.655877
13.423936
-0.121847
other
Li8V2Cr6O16
32
2
298.09
mp-26019
13.507403
7.290896
-7.230447
other
Li4Mn4P12O36
56
2
738.24
mp-1182731
7.951974
4.576579
-6.214142
other
Ba4Zr2C16O38
60
2
1,104.79
mp-757547
14.024643
7.11278
-5.432051
other
Li4Sn6P8O28
46
2
659.67
mp-1367287
7.609773
5.488704
-1.789538
other
Li5Co2Ni3O10
20
2
171.5
mp-780123
13.404551
5.500439
-2.962188
other
Li2Mn6B6O18
32
2
372.06
mp-1214662
12.755784
6.221016
-6.108853
other
Ba6P12H12O36
66
2
1,122.97
mp-765964
12.723345
7.950265
-1.821416
other
Li8V4Si8O28
48
2
517.76
mp-1044954
7.938976
12.155806
-1.349555
other
Si2Ni13Sb2O28
45
2
499.48
mp-557599
6.427224
5.906327
-3.540783
other
Rb4Bi2Cl10O40
56
2
934.09
mp-753403
8.451896
3.785019
-7.183026
other
Li2Cu4C4O12
22
2
274.91
mp-1228862
9.125279
2.196114
-2.314965
other
As1H4N1F6
12
2
126.85
mp-26745
13.612321
7.131772
-6.226615
other
Li2Sb2P4O14
22
2
285.48
mp-1229278
10.508034
4.143534
-4.615305
other
Al4H50S7O52
113
2
1,051.97
mp-1237055
6.982014
5.683885
-4.241136
other
Tc2Pt1N4O8
15
2
234.95
mp-578781
11.73476
11.227221
-2.461252
other
Ba1P4W16O56
77
2
1,111.03
mp-1569466
11.239466
12.549007
-3.226841
other
Li2V4Ni2O12
20
2
242.09
mp-780149
14.472599
5.210425
-2.684537
other
Li4Mn6B6O18
34
2
374.22
mp-721463
12.509708
5.274195
-5.58007
other
K8P8H8O28
52
2
780.33
mp-1222009
14.616667
5.132104
-2.114954
other
Mg4Mn4B8O20
36
2
372.02
mp-758026
12.472986
6.702715
-0.890565
other
Li8Si8Bi4O26
46
2
600.39
mp-24601
12.670424
6.039369
-1.672151
other
Al6Si4H6O20
36
2
319.99
mp-18776
12.833509
7.251826
-6.997439
other
Ca2Co2P4O14
22
2
269.65
mp-556949
10.745454
10.897145
-3.959079
other
K2Eu2Mo4O16
24
2
369.17
mp-1173917
6.345512
19.291428
-0.769262
other
Li4Mn2Co2O8
16
2
149.65
mp-697796
14.836245
8.044468
-5.054028
other
Li2Cr5P4O16
27
2
334.27
mp-26683
13.091224
7.702177
-7.641268
other
Li10Cr4P10O36
60
2
636.98
mp-939353
7.439006
4.887371
-1.953905
other
Fe2P2O8F2
14
2
186.23
mp-1174124
3.544131
22.402088
-1.474453
other
Li5Mn1Co2O8
16
2
139.93
mp-1211400
10.705962
4.099089
-7.243073
other
K2La2S4O16
24
2
339.66