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-1207819
11.628516
11.114964
-3.797215
other
Tm4Tl4Mo8O32
48
62
847.3
mp-1204007
10.959947
4.360769
-3.747025
other
Na40H32Br8O32
112
62
1,473.16
mp-17676
-3.479165
-2.084796
-5.348391
other
Sr8Sn4S12F8
32
62
693.02
mp-1192204
5.43365
4.677812
-4.120108
other
Hg4N4Cl12O4
24
62
606.74
mp-17063
-5.916125
-3.746084
-1.769669
other
Ba4La4Cu4Te12
24
62
818.49
mp-1194197
2.44455
2.00014
1.879924
other
La12Si4N16F4
36
62
529.3
mp-1043209
9.380567
8.04811
-6.117825
other
Zn4Ni8P8O36
56
62
626.14
mp-21100
13.553488
5.712718
-2.563105
other
Cr4B4Pb4O16
28
62
351
mp-556362
9.394282
7.4288
-2.934193
other
Bi4Se4Cl4O12
24
62
438.3
mp-766405
13.958143
8.651485
-0.833722
other
Li8V4Si4O16
32
62
349.56
mp-1212109
8.90448
6.023153
-5.469215
other
Mn12B4P4O40
60
62
830.56
mp-17541
10.958709
12.026849
-3.155563
other
K4Sr4V4O16
28
62
455.48
mp-770545
8.807057
13.080793
-1.024062
other
Li4Al4Cr4O16
28
62
273.74
mp-18156
-4.171077
-2.675131
-3.491149
other
K4Ba4P4Se16
28
62
933.89
mp-732195
11.354917
7.154294
-1.070311
other
Ca8Al12Si12O52
84
62
971.86
mp-553903
9.396044
8.882769
0.253596
other
K4Na36In8O32
80
62
1,234.97
mp-1202113
10.288972
4.285883
-5.127608
other
Ce4H32S8O48
92
62
907.16
mp-1197293
7.475354
6.341194
-2.925324
other
Sr4Hg4I16O32
56
62
1,203.72
mp-1197795
7.356606
0.37249
-3.874051
other
Rb8B40H100N20
168
62
1,897.26
mp-1200652
8.187005
2.140286
-0.907517
other
Zn4As12O4F72
92
62
1,456.43
mp-1200969
12.599914
5.918978
-2.900538
other
B12Pb12N4O40
68
62
921.31
mp-1190566
9.816503
4.724517
-6.388307
other
Tl4S4O12F4
24
62
435.3
mp-1212199
12.584617
10.966315
-1.616578
other
Li8Fe12Mo12O48
80
62
1,033.27
mp-24015
10.686357
4.005808
-3.979241
other
Cd8H12Cl4O12
36
62
528.51
mp-1227302
7.548708
12.176923
1.854387
other
Ca4Tb8Mn12O36
60
62
687.47
mp-559452
13.192768
5.512537
-6.398626
other
Na40Li8P16O64
128
62
1,573.04
mp-1196996
1.890157
2.767196
-5.287754
other
K8Fe4Cl20O4
36
62
927.49
mp-22822
10.753249
12.22067
-3.636335
other
Ba4V8Cd4O28
44
62
694.04
mp-1203092
8.131794
6.919662
-4.963632
other
Y4Cu4S4O28
40
62
554.69
mp-559180
13.378842
4.706218
-1.788684
other
Ba16Cu8B16O48
88
62
1,326.34
mp-560425
13.414976
4.733122
-2.088836
other
Sr16Cu8B16O48
88
62
1,161.35
mp-640057
1.950119
2.888253
-4.965335
other
K8Os4N4Cl20
36
62
926.53
mp-1239237
-4.909708
-0.51661
-5.613913
other
Zr4Cr4Ag4S16
28
62
544.2
mp-1208816
1.865734
1.829524
1.288449
other
Sr12Ca4C4N16
36
62
662.91
mp-1209980
9.039636
0.927455
1.34459
other
Na4Li4Be4F16
28
62
322.11
mp-976349
10.932791
3.974786
-3.327134
other
Lu4H8Cl4O8
24
62
266.1
mp-726240
10.829468
11.433358
-3.938626
other
V8Zn16H8O40
72
62
820.71
mp-650228
11.325771
10.96971
-3.846322
other
K4In4Mo8O32
48
62
801.68
mp-757371
13.727099
8.116108
-7.116912
other
Li8Cr8P8O36
60
62
674.79
mp-1209092
7.898161
6.576119
-4.817468
other
S4N4O12F4
24
62
456.64
mp-1213759
-0.321554
1.558151
-4.763639
other
Cs12Ir4Br24O4
44
62
1,634.14
mp-1219578
9.818234
4.467723
-6.648146
other
Rb4S4O12F4
24
62
437.59
mp-763610
13.012138
7.955488
-1.1269
other
Li4Cr4Si4O16
28
62
281.16
mp-505173
-5.960035
-3.224851
-1.9836
other
Na4Zr4Cu4Te12
24
62
664.79
mp-556801
13.828533
4.291582
-2.456454
other
Na12B24P4O52
92
62
1,006.87
mp-557029
4.578413
3.069282
-4.095717
other
Pt4S16N12Cl4
36
62
865.28
mp-1192550
-2.530314
-0.717694
-5.340028
other
Rb4Ba4P4S16
28
62
818.46
mp-17805
-4.129961
-3.085814
-4.102793
other
Ba8Sn4Se12F8
32
62
857.75
mp-757542
13.489664
6.929217
-0.726899
other
Li12Ti4Si24O60
100
62
1,178.97
mp-555114
10.283599
12.276635
-3.637799
other
V4Cd4Cl4O12
24
62
417.03
mp-1194927
9.474375
11.734954
-3.730772
other
V4Cd4Co4O20
32
62
420.63
mp-652776
13.59689
7.455577
-6.481133
other
Rb8V4P8O32
52
62
908.32
mp-758541
14.767998
8.796725
-5.7267
other
Li8V8P8O36
60
62
696.6
mp-1181422
9.273276
2.589061
-3.02661
other
Fe4H32N8F20
64
62
630.17
mp-758546
12.934988
6.987755
-1.410339
other
Li8Co8Si12O36
64
62
735.89
mp-19496
10.389865
11.730754
-3.772788
other
K4V8Sb4O32
48
62
727.43
mp-558792
9.219903
5.148095
-5.706339
other
K8Hg12S12O40
72
62
1,303.79
mp-558130
-4.152357
-1.35009
-5.383287
other
Mn4Bi4S8Cl4
20
62
458.32
mp-20046
11.757551
7.675523
-4.810015
other
Li4Co4As4O16
28
62
318.3
mp-554805
9.489222
6.978838
-3.428825
other
Sr12Se12Cl8O32
64
62
1,167.35
mp-542027
10.347535
6.543279
-4.657747
other
V8Ni4H16O32
60
62
729.05
mp-559914
1.926788
2.881573
-4.901602
other
K8Mo4Cl20O4
36
62
990.08
mp-1303296
11.518481
12.568986
0.515461
other
Li4Nb4Fe4O16
28
62
340.61
mp-623058
-2.828308
-0.295844
-5.110234
other
Ti8Ag8P8S44
68
62
1,466.65
mp-757145
10.99087
4.051202
-3.258854
other
Sm4H8Cl4O8
24
62
307.07
mp-654335
7.825421
9.992729
-0.358014
other
Cs4K20Ru8O36
68
62
1,320.13
mp-1191985
-3.195478
-2.112254
-5.600327
other
Ba4Nd4Cu4S12
24
62
562
mp-1120822
12.154953
11.263115
1.299394
other
Ti4Zn4Sn4O16
28
62
367.69
mp-1291775
8.335697
11.324438
2.36988
other
Ba8Ta4Mn4O24
40
62
557.01
mp-726420
9.821795
7.367959
-1.953925
other
K12Ho4Si12O40
68
62
1,071.37
mp-1178694
-4.733216
-3.419723
-3.937696
other
Yb4Cu4Pb4Se12
24
62
596.57
mp-1210044
8.744715
9.007071
1.734745
other
Nd4Eu8Be4O20
36
62
457.77
mp-6441
12.984421
5.832863
-5.959976
other
K8P4O12F4
28
62
481.4
mp-560443
6.273128
5.315601
-4.49578
other
Ag4Hg8N4O20
36
62
575.03
mp-559583
11.995344
6.741819
-4.550543
other
Bi4P12Pb16O52
84
62
1,267.72
mp-6607
12.619185
6.231896
-0.836858
other
Ca20Si8S4O48
80
62
1,106.3
mp-557246
8.464626
3.55024
-6.310987
other
K8Be4C16O32
60
62
839.07
mp-628715
-4.066166
-2.626886
-3.486992
other
K4Eu4P4Se16
28
62
824.81
mp-1227659
6.959875
12.126692
1.622916
other
Ca8La4Mn12O36
60
62
687.67
mp-559481
10.760311
12.186155
-3.563493
other
Ba4V4Cl4O12
24
62
429.92
mp-775855
14.244257
7.198813
-6.708769
other
Na4Mn4P4O16
28
62
345.51
mp-23632
2.367873
2.137465
1.125365
other
Ca8B4N8Cl4
24
62
415.96
mp-572361
13.280035
6.219807
-5.998227
other
Cs8Ti4P8O32
52
62
983.85
mp-614311
4.60884
2.674296
-3.624938
other
Cs4C4S4N4
16
62
445.49
mp-1013910
9.522516
8.186895
-5.782087
other
Li4Fe8P8O36
56
62
684.42
mp-1040460
11.538342
8.044141
-7.49162
other
Na4Cr8P8O36
56
62
687.38
mp-559558
-2.62877
-0.461958
-4.735953
other
Cu12P32S24Cl12
80
62
1,959.53
mp-752501
11.918502
7.055987
-1.213979
other
Li4Si4Bi4O16
28
62
371.33
mp-555012
-2.316054
-2.93164
-5.224336
other
La24S16N12Cl4
56
62
1,336.32
mp-721314
10.12213
4.351879
-5.442181
other
Na8H16S8O32
64
62
765.24
mp-557872
9.792356
4.694167
-6.714427
other
K16Mo4S12O56
88
62
1,469.49
mp-560013
13.846799
8.674848
-5.301969
other
K8Mo16P24O96
144
62
2,111.13
mp-1214173
9.120471
11.473084
1.269797
other
Ca8Cr4Fe4O20
36
62
459.3
mp-21520
13.8885
6.448378
-5.69993
other
Na4Ce4P8O28
44
62
593.36
mp-1211273
10.885248
7.903546
2.574288
other
La4Cr4Se8O4
20
62
400.79
mp-1216909
10.858699
11.698597
2.649452
other
Ti4Nb4Tl4O20
32
62
481.19
mp-24653
9.893639
1.791255
-3.721109
other
Ti4H32N8F20
64
62
563.94
mp-554377
9.183003
1.124173
1.024558
other
K4Cr8Pb4F36
52
62
788.59
mp-561457
12.835806
6.271091
-0.372315
other
Cs4Al4Si4O16
28
62
475.76
mp-1192441
6.802404
10.428259
-1.253384
other
K4Ba4Mn4O16
28
62
488.69