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-559186
13.004255
5.47244
-1.944549
other
Ba4Bi4B4O16
28
62
452.43
mp-559963
2.895688
2.689513
-4.205726
other
Al4S8N4Cl16
32
62
952.5
mp-1223644
7.451463
12.15578
1.687091
other
La8Mn12Zn4O36
60
62
712.74
mp-1203348
10.989829
4.249774
-6.476193
other
Th4H8S4O24
40
62
501.24
mp-1205026
8.361388
2.039767
-0.526115
other
K24Ta12O32F52
120
62
2,114.3
mp-1199576
9.488328
8.360982
-3.354645
other
U12Ag8Ge8O64
92
62
1,369.85
mp-1208913
7.555419
8.629056
0.019339
other
Sr8Gd4Be4O20
36
62
466.59
mp-622009
-5.751797
-2.286955
-0.708412
other
Ta4Ni8Te4Se4
20
62
377.86
mp-1190834
-3.196567
-2.239756
-5.674018
other
Sr4Nd4Cu4S12
24
62
557.77
mp-505811
11.196749
7.762882
-7.091127
other
Fe4Cu4P4O20
32
62
359.31
mp-1214043
12.370585
7.113188
-6.720741
other
Ca4P8Pd4O28
44
62
571.54
mp-558045
12.973084
6.514575
-6.770737
other
Na4Li8P4O16
32
62
351.03
mp-640324
-4.590695
-3.581511
-4.013156
other
Tm4Cu4Pb4Se12
24
62
582.59
mp-18329
13.265038
5.367117
-6.343414
other
Cs4Mg4P4O16
28
62
501.76
mp-1178730
8.11537
2.302902
-1.22779
other
Zn4B8N16F32
60
62
1,136.68
mp-18547
11.553771
7.38672
0.164285
other
Na4Gd4Ge4O16
28
62
411.98
mp-553930
11.672664
6.628736
-2.655274
other
B8Pb24S4O48
84
62
1,441.61
mp-1013987
8.57172
7.9719
-4.886705
other
Li4Ni8P8O36
56
62
644.72
mp-1198076
1.851653
2.793017
-5.272664
other
Rb8Cr4Cl20O4
36
62
1,029.91
mp-1204573
-2.837746
-1.107551
-3.820966
other
Cu12P32Se24I12
80
62
2,206.31
mp-1203298
-5.909254
-3.73139
-1.747962
other
Ba8In4Sb4Te20
36
62
1,351.71
mp-1094125
8.501368
7.863323
-4.713665
other
Na4Ni8P8O36
56
62
661.85
mp-1199946
-3.404307
-1.601827
-5.300282
other
Ba8Fe4Sb4S20
36
62
985.19
mp-555071
7.906144
2.946682
-1.388262
other
Br4N4O8F16
32
62
498.1
mp-17876
12.234502
7.672606
-4.279621
other
Na4Mn4As4O16
28
62
371.52
mp-558490
9.902924
6.67626
-2.632852
other
Tb12Se8Cl4O32
56
62
907.2
mp-649595
12.398026
6.564971
-0.111391
other
Ca4Mg4Si4O16
28
62
328.87
mp-1350888
9.387122
8.427789
-6.106495
other
V4Ni4P8O36
52
62
683.35
mp-1203259
8.060448
1.697514
-4.28778
other
Cs4H16C4N12
36
62
435.71
mp-1201906
-3.298002
-1.757211
-5.554801
other
Ba8Ga4Bi4S20
36
62
1,012.51
mp-642316
-3.915965
-1.924628
-5.239048
other
Cu4Bi20Pb4S36
64
62
1,584.97
mp-1203408
-5.587645
-5.73897
0.763043
other
K4Yb8Cd8Sb12
32
62
962.22
mp-758209
13.74093
7.989371
-0.857431
other
Li8Fe4Si4O16
32
62
350.81
mp-24446
10.24065
4.246552
-5.411887
other
Li8H16S8O32
64
62
662.65
mp-1198485
7.961547
5.604825
-5.54882
other
Al8Pb4C8O44
64
62
879.57
mp-540602
11.296367
10.962368
-3.869487
other
Rb4In4Mo8O32
48
62
850.16
mp-1196178
10.633065
4.236303
-5.175339
other
Ti4H36S8O48
96
62
1,025.62
mp-542101
11.354708
7.497912
-1.183213
other
Ba4Cu8Ge8O28
48
62
690.02
mp-560240
12.694571
6.511121
-6.08544
other
K8Sb4P4O24
40
62
645.17
mp-1194920
11.795529
7.037662
-3.54972
other
Na16As4H4O20
44
62
575.64
mp-697283
8.458349
1.289033
-4.11758
other
H32W4S16N8
60
62
849.5
mp-22407
11.987975
6.734578
-1.411652
other
Ba4Cu8Si8O28
48
62
645.93
mp-18997
14.405667
7.570715
-6.957109
other
Li4Mn4P4O16
28
62
313.67
mp-21665
14.645178
8.832859
-5.56406
other
V8Cd4P8O36
56
62
694.8
mp-1197218
4.415035
2.962523
-3.659681
other
Cu4C8S8N16
36
62
819.38
mp-1195123
-5.880042
-3.558047
-1.61474
other
Ba8Th4Cr4Te28
44
62
1,532.46
mp-774433
10.410943
8.12324
-7.102926
other
Li4Mn4P4O20
32
62
331.84
mp-24478
10.172541
4.303882
-4.969587
other
Pu4H32S8O48
92
62
942.99
mp-1194646
-5.324203
-4.011319
-1.828275
other
Gd12Te8N4O4
28
62
681.13
mp-758587
14.321515
7.194855
-5.835909
other
Li8Cu4P4O16
32
62
338.86
mp-1204287
10.473121
4.329942
-5.206853
other
U4H32S8O48
92
62
958.84
mp-1182677
9.117919
8.725105
2.659327
other
Ba4Gd8Cu4O20
36
62
523.72
mp-1211383
11.183076
10.965132
-3.587093
other
Li8Ni8Mo12O48
76
62
973.2
mp-1195439
-5.647889
-3.553979
-1.28558
other
Ba8U4Ti4Te28
44
62
1,492.38
mp-1227926
7.012472
12.209508
1.519463
other
Ca8Y4Mn12O36
60
62
671.02
mp-558386
10.33815
9.845092
-2.351987
other
Ga8Te8Mo4O40
60
62
845.25
mp-1199802
7.031804
5.859418
-4.644855
other
Cu4S4N16O20
44
62
812.57
mp-1227626
7.041726
12.256361
1.568993
other
Ca8Tb4Mn12O36
60
62
670.84
mp-558642
8.857497
8.342752
0.273772
other
Sr12Bi4Cl12O12
40
62
934.91
mp-1210034
10.370321
8.786865
3.129926
other
Nd12Ti4Cl20O16
52
62
990.31
mp-6323
7.136057
9.355054
-0.252847
other
Ba4Yb8Cu4O20
36
62
484.49
mp-758945
8.675317
12.525961
-0.401811
other
Li40Cu8H8O32
88
62
836.51
mp-1198753
10.005363
2.616162
-4.476098
other
H32S4N8O16
60
62
509.72
mp-18832
9.67398
2.042725
0.045735
other
K8V4O8F12
32
62
502.41
mp-16801
11.680301
4.013747
-7.614262
other
Gd4S4O16F4
28
62
393.35
mp-758638
12.757131
7.298652
-1.543054
other
Li8Co4Si4O16
32
62
337.8
mp-1204134
-3.84069
-2.644494
-5.174794
other
Ba36In16S40F40
132
62
3,146.24
mp-1214133
7.232696
8.705688
-0.696338
other
Ca8Eu4Be4O20
36
62
441.94
mp-17090
-2.489557
-0.729759
-5.454829
other
Sr4Tl4P4S16
28
62
734.45
mp-1199064
6.041938
3.459591
-3.019163
other
Hg4C24I8N16
52
62
1,413.99
mp-753580
13.557681
8.386845
-0.685351
other
Li4Ti4Si4O16
28
62
284.53
mp-1181968
10.309038
6.918211
-2.226581
other
Na8Be8Si24O64
104
62
2,464.85
mp-26125
13.838854
7.405332
-6.735247
other
Li8Fe4P16O48
76
62
903.93
mp-19484
10.782918
12.247983
-3.49655
other
Ba4Ca4V8O28
44
62
702.63
mp-554796
-2.691895
-2.590024
-5.627026
other
Ba8Sc24Ag8S48
88
62
2,021.28
mp-1210963
11.390898
11.057113
-3.743417
other
Li8Zn8Mo12O48
76
62
988.36
mp-1214476
13.296769
5.456078
-5.949153
other
Ba4Na4P4O16
28
62
438.8
mp-779364
11.482483
6.425735
-3.377033
other
Li8Co4B4O16
32
62
293.94
mp-20052
12.805735
7.689904
-4.798754
other
Li4Mn4As4O16
28
62
340.88
mp-734271
8.507746
6.241084
-5.599421
other
Nb4S8N4O36
52
62
854.66
mp-1044790
13.727218
7.465561
-5.410451
other
Mg4Sb8P8O36
56
62
734.42
mp-1194762
8.500748
8.111943
-1.239868
other
Na8Nd4Ge4O20
36
62
498.05
mp-1199378
3.071696
3.068141
-3.967036
other
Rh4N12Cl24O4
44
62
1,704.03
mp-725947
12.986359
7.261637
-4.698664
other
Sn4P4Cl4O8
20
62
465.8
mp-1043512
10.139956
7.749343
-6.447705
other
Ta4Ni4P8O36
52
62
736.37
mp-863420
8.921531
3.671539
-6.658097
other
Rb16H16C12O40
84
62
1,243.94
mp-1200468
-4.635027
-5.436432
0.364124
other
Rb4Na32Ga12As24
72
62
1,915.04
mp-1176708
10.032341
0.962057
0.171049
other
Li4Ni8O4F12
28
62
307.95
mp-22820
9.033473
0.771325
0.646671
other
Na8In4Ni4F28
44
62
588.77
mp-1210425
9.555985
10.198021
-3.927741
other
Na4Mo12N4O40
60
62
1,011.74
mp-1190863
5.462082
3.281303
-3.705425
other
C12N4Cl4O4
24
62
542.63
mp-1575674
15.130604
5.596907
-2.314997
other
Li4Mn4B4O12
24
62
286.42
mp-557250
6.128355
5.084638
-4.40076
other
Hg4I4N4O12
24
62
541.6
mp-1193903
-3.626823
-0.951906
-4.928048
other
K8Mo4S12O4
28
62
729.38
mp-1193468
11.513855
12.449499
-3.04231
other
Na4Mn4V4O16
28
62
363.59
mp-1204682
10.011717
2.632413
-4.46374
other
H32S4N8O16
60
62
512.89
mp-1120760
11.424983
7.643551
-7.513548
other
Zn4Fe8P16O56
84
62
1,157.52
mp-1195181
9.230543
7.168366
-3.343866
other
Co16Se12Cl8O36
72
62
1,162
mp-1041044
13.948815
8.971036
-2.7565
other
Zn4P8W8O36
56
62
736.49
mp-1011858
12.881134
6.834442
-6.942796
other
Na8Co4P8O28
48
62
655.27