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-1190498
11.824954
7.038808
-4.025419
other
Zn3Te1P2Pb3O14
23
150
315.47
mp-1190321
11.943743
7.168894
-4.475771
other
Zn3P2Pb3W1O14
23
150
330.73
mp-1233812
9.688722
2.189482
-2.094384
other
Ca1Ti1H6O2F6
16
150
218.93
mp-1227919
7.27636
11.872852
2.054463
other
Ba2La2Pr2Mn6O18
30
150
373.08
mp-1235748
9.794026
2.295129
-2.196203
other
Li1Ti1H6O2F6
16
150
183.09
mp-1204652
8.196774
0.700773
-4.47088
other
B12H120C36N18Cl30
216
152
2,916.08
mp-560799
10.503193
4.261064
-6.287308
other
Na3Nd3H6S6O27
45
152
560.86
mp-1212936
12.624525
5.341238
-5.665365
other
Mn6B6P6H12O36
66
152
662.91
mp-1213675
12.679197
5.625692
-5.463496
other
Fe6B6P6H12O36
66
152
648.53
mp-1195286
10.583654
4.273048
-6.381113
other
Na3Dy3H6S6O27
45
152
533.24
mp-557508
10.494672
4.26288
-6.350666
other
Na3La3H6S6O27
45
152
578.08
mp-1195192
10.632726
4.226552
-6.410944
other
Na3Tb3H6S6O27
45
152
540.06
mp-1238930
12.194807
5.306033
-5.647163
other
Co6B6P6H12O36
66
152
630.68
mp-1202629
9.207894
1.612158
-3.958935
other
Cd3H60N18O3F6
90
152
788.31
mp-1194630
10.455689
4.264292
-6.287994
other
Na3Gd3H6S6O27
45
152
549.76
mp-1200751
12.611712
5.336272
-5.654902
other
Mn6B6P6H12O36
66
154
665.36
mp-1199050
9.28672
1.63387
-3.97488
other
Cu3H60N18O3F6
90
154
730.25
mp-1203089
8.163433
8.976592
-4.009576
other
K6Cr6As3H3O30
48
154
803.67
mp-1195845
10.435848
4.297374
-6.362629
other
K3La3H6S6O27
45
154
620.15
mp-1200024
12.687141
5.637844
-5.445769
other
Fe6B6P6H12O36
66
154
636.73
mp-1180183
8.028111
4.478909
-6.774347
other
Na3Ca9C6O21F9
48
154
608.61
mp-559407
10.452597
4.257616
-6.276945
other
Na3Gd3H6S6O27
45
154
544.86
mp-1234578
14.690172
8.636157
-5.25592
other
Mg1V4Sb2P6O24
37
155
502.09
mp-1215614
13.096589
5.104749
-2.24689
other
Yb1Y1Al6B8O24
40
155
370.26
mp-7323
13.529694
4.676193
-2.248674
other
Rb1Be2B1O3F2
9
155
118.16
mp-1222872
13.822655
5.579229
-7.002654
other
Li2Zr4As3P3O24
36
155
544.26
mp-6870
13.481333
4.668638
-2.238142
other
K1Be2B1O3F2
9
155
102.7
mp-686583
14.855131
4.22985
-7.760093
other
Na5Zr4Si3P3O24
39
155
554.21
mp-695398
10.592021
3.707942
-4.182712
other
Na6P2H48S2O30
88
155
944.02
mp-1221302
13.861728
5.490191
-6.984445
other
Na2Zr4As3P3O24
36
155
563.44
mp-1220241
12.821211
5.618722
-3.131225
other
Nd1Fe6Bi1B8O24
40
155
405.25
mp-553342
13.574625
4.753904
-2.192108
other
Cs1Be2B1O3F2
9
155
128.28
mp-560541
14.459939
5.829363
-6.402652
other
K3Na3Nb8P5O35
54
155
743.28
mp-1078186
13.114272
5.262379
-2.171349
other
K1Zn2B1Cl2O3
9
155
196.6
mp-866658
8.983263
1.723155
-4.238297
other
H16Rh1N5Cl6O3
31
155
350.79
mp-726071
11.605346
11.091294
-3.549855
other
Mg1Zr3Tl10Mo12O48
74
155
1,326.3
mp-1221547
9.998584
7.467467
-6.171918
other
Na4Hg2P12N4O36
58
15
838.42
mp-1201939
8.23984
3.821844
-6.065454
other
K12Ir4C16Cl8O36
76
15
1,334.76
mp-1198254
8.790266
2.388897
-1.143991
other
Ca6Al4S2O16F16
44
15
627.56
mp-557969
11.288404
4.163307
-7.375911
other
Li2La4S4O16F6
32
15
413.78
mp-1198673
8.034109
1.50042
-4.475775
other
Sn2H24C4N12Cl12
54
15
886.27
mp-505246
12.67121
7.179173
-6.473597
other
Na2Co6P6H4O24
42
15
441.08
mp-1189154
10.571199
4.21099
-7.192899
other
Na2Zn2S2O8F2
16
15
196.61
mp-1215121
9.31361
3.519388
-5.323349
other
Ba4Cu4H48C16O56
128
15
1,395.72
mp-1173705
12.968949
5.738223
-6.728909
other
Na2Cd2In4P6O24
38
15
504.18
mp-540862
8.909363
0.969167
1.561826
other
Ba4Ca2Mg2Al4F28
40
15
539.84
mp-778204
14.598759
8.45913
-4.072558
other
Li2V6P6H4O24
42
15
454.16
mp-1211510
11.365289
11.130076
-3.868688
other
K2Li2Sm4Mo8O32
48
15
683.94
mp-1195062
10.128708
4.177468
-4.143898
other
K4Na4H32Xe2O28
70
15
713.2
mp-1201486
8.267503
1.617965
-4.488589
other
Sn4H48C24N8O16
100
15
1,258.66
mp-1210476
9.214689
2.33765
-4.787705
other
Np2H32C6N8O22
70
15
681.26
mp-698358
7.952584
1.802162
-4.380381
other
Ni2H20C8S4N16
50
15
518.26
mp-7035
12.04732
6.920678
-4.329288
other
Ca2Mg2As2O8F2
16
15
203.64
mp-1199642
10.741346
11.510065
-3.713814
other
Sr4V8Te4H4O34
54
15
808.02
mp-1213442
8.946581
6.685259
-3.743419
other
Cs2In2H4Se4O16
28
15
520.59
mp-1205266
9.928654
3.266978
-3.853044
other
Ba4H40Ru4Cl20O22
90
15
1,268.65
mp-1200518
5.681667
3.225723
-4.531643
other
In2Re8C28I6O28
72
15
1,488.48
mp-1199918
8.665015
7.50222
-5.192883
other
V6P4C4N12O28
54
15
799.58
mp-1210836
13.359307
7.885847
-6.803565
other
Mn2Fe4Ag4P6O24
40
15
472.06
mp-1210361
6.249813
4.92227
-4.537745
other
Rb10Nd4W2N22O66
104
15
1,715.27
mp-774929
9.028551
3.793941
-7.318407
other
Na10Bi4P2C8O32
56
15
796.69
mp-707457
12.715395
4.22875
-3.033107
other
K2Mg4B24H38O60
128
15
1,161.61
mp-560673
11.470851
4.018973
-7.485086
other
Na2Pr4S4O16F6
32
15
414.04
mp-1211719
11.131533
7.866518
-4.577779
other
K2Co6Cu2As6O24
40
15
508.58
mp-1211434
10.476553
12.46843
-3.538138
other
K2Mg6V6Cu2O24
40
15
513.08
mp-1198761
9.156011
2.570189
-3.602896
other
Li4H32C16O20F36
108
15
1,179.81
mp-770598
9.568246
3.557962
-5.48013
other
Li4Co2H16C4O20
46
15
406.59
mp-541024
11.92369
4.741926
-5.048447
other
Cs2Tm2P8H24O36
72
15
824.57
mp-738615
8.911547
2.489096
-4.68431
other
Hg4H12C4S4O12
36
15
489.44
mp-698277
8.608334
2.439739
-4.764932
other
Co8H80C32N32O48
200
15
1,907.37
mp-644277
10.1017
2.169752
-2.113912
other
Fe4Cu2H8O4F16
34
15
385.05
mp-1214918
7.151253
2.358781
-3.096717
other
B6C36Br6N6F30
84
15
1,278.64
mp-1357073
9.449744
1.824071
1.368987
other
Ba4Mg2V4Cu2F28
40
15
553.51
mp-1194655
7.747591
0.411096
-4.275829
other
Al4B8H72C16N4
104
15
1,067.12
mp-1198041
5.619498
3.218722
-4.651082
other
H6Os8C24I2O24
64
15
1,144.11
mp-1211858
9.758556
7.575514
-5.837037
other
K2Al4Ni2P6O28
42
15
564.85
mp-707900
10.31594
3.113549
-4.720506
other
Pr2H40S8N10O32
92
15
845.24
mp-1198565
9.412712
7.148792
-3.089435
other
Cu2Pb10Se8Cl8O24
52
15
984.32
mp-770536
10.322271
2.576141
-1.004694
other
Li8V4H8O4F20
44
15
475.9
mp-1210021
10.856585
7.789623
-5.162187
other
Na4Fe4As4O16F4
32
15
407.19
mp-1226354
8.165203
3.654682
-5.325291
other
Co2H8C8N4O12
34
15
396.87
mp-768461
8.248403
4.847728
-7.072522
other
Na10Co4P2C8O32
56
15
697.37
mp-743965
9.36848
2.901639
-2.764423
other
Si2H24N4O8F12
50
15
648.07
mp-1045867
9.427377
0.672729
0.517134
other
Ba4Mn4Zn2Cu2F28
40
15
550.81
mp-1200440
9.967449
2.472751
-2.083629
other
U4H8C4O12F12
40
15
469.25
mp-510562
11.91105
7.336587
-7.336633
other
K4Mn4P12H4O40
64
15
908.26
mp-561257
5.581863
1.852062
-2.299559
other
Li2Pr4C4N8F6
24
15
301.65
mp-973330
9.469363
2.530421
-2.439903
other
Sb2P2H8O8F12
32
15
377.15
mp-1203350
8.4525
3.38591
-5.720703
other
Na4Co2H8C8O16
38
15
474.78
mp-1198837
8.276385
0.708089
-4.385805
other
Mn2Te4H40C8N8
62
15
701.51
mp-1213968
13.28882
5.500842
-6.402395
other
Ca2Mg2P2O8F2
16
15
189.56
mp-555505
7.998466
5.022694
-6.386316
other
Na8Yb4C8O24F4
48
15
622.96
mp-738610
8.5514
1.094412
-4.470768
other
Li2H40C16Cl2O8
68
15
654.35
mp-1205138
7.885077
0.370333
-4.420236
other
Si8Sn8H164C64O12
256
15
2,999.02
mp-1211417
8.12658
5.69342
-5.649732
other
Mg4Cu4H4C2O18
32
15
450.89
mp-1193833
9.087531
7.141834
-3.542169
other
Cu4Pb2Se4Cl4O12
26
15
433.96
mp-745200
12.784764
5.924948
-5.351665
other
Fe16P16H32N8O64
136
15
1,464.85
mp-695911
9.894934
1.573595
-1.880705
other
Mn4Tl4H8O4F16
36
15
487.36
mp-1194435
8.837327
2.248502
-4.655547
other
Ni4H24C8N8O16
60
15
628.01
mp-1210502
12.310857
7.420132
-7.758324
other
Na4Mn4Cd2P6O24
40
15
481.69