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-540942
1.085971
1.838518
-5.27008
other
K4Dy8Cl28
40
14
1,113.77
mp-2911
-3.252053
-4.452854
0.885066
other
Ba12Sn8P16
36
14
1,134.62
mp-27450
1.440422
2.504657
-5.745945
other
K4Cu4Cl12
20
14
483.29
mp-1224875
-5.677588
-1.502365
-3.062208
other
Fe2Ni2Se8
12
14
201.03
mp-1202851
8.379504
8.08576
-4.333288
other
Cu12As4O28
44
14
558.23
mp-16672
12.902841
10.426755
-0.050277
other
Nd4Mo20O32
56
14
745.25
mp-1215122
6.39336
6.352122
-4.233313
other
Al4N12O72
88
14
1,436.74
mp-19264
12.404275
7.8167
-6.839354
other
Co6P4O16
26
14
314.35
mp-768734
-1.188246
2.006994
-1.864451
other
Sr8Ca4I24
36
14
1,611.79
mp-1208794
-1.147766
2.195226
-2.037487
other
Sr8Tl4I20
32
14
1,306.4
mp-1212815
4.315599
2.455256
-3.307532
other
Fe2C12N12
26
14
542.22
mp-1212579
6.987555
2.049744
-3.849125
other
H24C24N40
88
14
850.28
mp-31038
-4.362383
-2.065513
-3.664299
other
Cu4Se8Cl4
16
14
395.43
mp-27351
3.949566
3.160828
-3.861401
other
Sb4N12Cl16
32
14
881.54
mp-560458
11.308675
8.830206
1.046319
other
Rb4U4O14
22
14
393
mp-754079
11.691296
7.218368
-4.04627
other
Gd4As4O16
24
14
315.55
mp-1353855
8.91095
8.198118
-3.474241
other
Co4Ge8O24
36
14
484.52
mp-27790
10.559565
12.228786
2.386032
other
Ba4Ti20O44
68
14
831.3
mp-1182810
7.024233
6.053834
-3.75242
other
Cd4Se8O36
48
14
912.79
mp-734337
9.044073
7.954541
-4.989749
other
Tl4P4O16
24
14
311.51
mp-1204598
10.58542
9.643174
-1.781178
other
Bi24Mo8O60
92
14
1,470.96
mp-768710
8.247922
9.729162
-0.17398
other
Rb12Fe4O12
28
14
711.79
mp-573150
10.186398
8.252257
-0.211126
other
Cs24Ge12O36
72
14
1,647.53
mp-27245
-2.475383
-0.754117
-5.026711
other
B12S12Br12
36
14
986.05
mp-1197402
7.799883
6.838767
-3.408546
other
Fe8Te8O40
56
14
788.27
mp-778414
6.949992
10.165606
-0.930548
other
Rb24Co12O36
72
14
1,469.67
mp-1202159
11.173031
3.901597
-3.970056
other
B8H16O16
40
14
413.68
mp-578629
9.540365
8.721568
1.315452
other
Ba8In16O32
56
14
865.04
mp-1208057
11.511271
11.011568
-3.99764
other
Tm4Mo8O30
42
14
645.24
mp-780456
11.624871
11.760204
2.634294
other
Ta8Nb12O48
68
14
1,278.04
mp-1202425
13.460588
5.870875
-6.812939
other
Ho12P36O108
156
14
2,332.22
mp-1210547
7.665118
5.773962
-5.176323
other
Na2S4O12
18
14
281.68
mp-585392
10.306269
7.899266
-6.85783
other
Ni12P12O44
68
14
814.95
mp-1182147
4.617323
3.060136
-3.776533
other
C4S4N8
16
14
386.39
mp-626973
10.748454
4.116142
-3.559376
other
Ba8H16O16
40
14
499.41
mp-697761
10.53989
8.197382
-7.573046
other
Mn4P4O16
24
14
293.58
mp-1211050
7.64184
6.364316
-4.652719
other
Mg2P4O20
26
14
341.02
mp-1197106
9.834184
3.232092
-4.015963
other
B24H28O24
76
14
580.64
mp-1179922
6.101991
5.395051
-4.156771
other
Pt4N8O16
28
14
671.5
mp-759480
10.558371
0.858182
1.649688
other
Li4Mn8F20
32
14
410.33
mp-14396
13.58643
5.615508
-6.498604
other
Mg6P4O16
26
14
315.06
mp-651882
10.021734
7.432783
-5.961385
other
Yb12P36O108
156
14
2,435.25
mp-29509
11.549933
7.946658
-3.025086
other
Zn4As8O16
28
14
404.82
mp-11007
-3.880129
-2.470766
-3.449612
other
Ca4P4Se12
20
14
507.17
mp-31045
-1.164996
2.970348
-3.054337
other
K4Au4I12
20
14
804.9
mp-1180666
3.372082
-0.650694
-2.261401
other
Li16Be8H32
56
14
476.9
mp-1181537
8.033988
7.764946
-4.60683
other
Cu4P4O20
28
14
381.81
mp-1210420
8.66377
1.037511
1.116733
other
Na6In2F12
20
14
262.56
mp-1203247
6.286621
5.045717
-4.631622
other
Gd4N12O36
52
14
688.62
mp-1355585
7.467616
10.900013
1.549203
other
Nd8Ni6O20
34
14
416.77
mp-1204260
5.117613
2.983075
-3.537016
other
C28I12N16
56
14
1,510.74
mp-1211043
-0.519117
1.263535
-4.364079
other
Li4Fe4Br16
24
14
699.97
mp-1199435
6.690777
4.915455
-4.649246
other
H8N8O24
40
14
506.05
mp-27218
8.278202
2.442026
-1.153562
other
Ge2Br4F20
26
14
386.4
mp-18989
10.900755
12.182173
-3.64292
other
La4V4O16
24
14
332.29
mp-1181131
7.423406
6.956612
-3.588512
other
K8Te8O32
48
14
919.93
mp-29863
2.909813
2.85846
-4.300042
other
As4Cl12O4
20
14
502.7
mp-1201977
7.464844
7.861264
-3.833707
other
Fe4P4O24
32
14
462.39
mp-780411
11.109695
8.022696
1.97164
other
La12Al12O36
60
14
830.99
mp-1180526
6.808854
6.097034
-3.929848
other
Na8Ge4O40
52
14
834.27
mp-769409
10.592632
8.303788
2.365764
other
Y16Ga8O36
60
14
868.68
mp-559939
13.118572
6.155274
-6.262172
other
Ba4P8O24
36
14
506.79
mp-1181631
7.102414
6.845503
-4.281516
other
Fe4S4O32
40
14
790.63
mp-559168
8.238298
2.159749
-1.045039
other
Sb8Kr20F80
108
14
2,048.45
mp-795607
7.130217
6.563478
-4.140783
other
V8N16O44
68
14
1,438.17
mp-1208720
9.001415
1.861163
1.522328
other
Sr8Ti8F40
56
14
803.44
mp-556079
7.368668
6.611388
-3.24902
other
Eu4I12O36
52
14
838.27
mp-764595
12.057611
11.961826
-2.120806
other
Na8V8O20
36
14
575.99
mp-1204061
-4.534889
-2.76244
-3.63183
other
K16As8Se20
44
14
1,449.11
mp-2379939
12.37012
6.391201
0.138833
other
Ca8Si4O16
28
14
388.63
mp-559770
10.345693
8.134596
2.142467
other
Nd16Ga8O36
60
14
954.13
mp-1179369
7.178207
6.379017
-4.380729
other
Th4S8O64
76
14
1,390.72
mp-772192
13.98525
7.447901
-5.413623
other
Cu8P8O24
40
14
527.2
mp-776646
7.608141
10.510655
-0.499764
other
Na12Co4O12
28
14
384.11
mp-20217
-2.369696
-0.703584
-5.285425
other
Eu4P4S12
20
14
468.06
mp-29870
7.874691
2.403771
-1.023142
other
Ir2Cl8F12
22
14
420.61
mp-1105866
6.516078
11.545685
0.694806
other
Lu4Ni4O12
20
14
209.48
mp-756812
9.163813
8.492414
0.404723
other
Rb12Er4O12
28
14
657.05
mp-1212611
8.514046
7.674237
-4.381104
other
Hf4As8O36
48
14
783.38
mp-626486
10.130549
4.33434
-4.96656
other
H16S4O20
40
14
430.44
mp-753445
10.648741
9.21863
-0.928923
other
Sb8O10F4
22
14
434.97
mp-1214980
-6.436694
-2.652216
5.755463
other
Al44Co24Si24
92
14
1,223.11
mp-562345
12.131669
6.72569
-0.608939
other
Cs16Si16O40
72
14
1,366.68
mp-758320
9.852465
0.382392
0.4085
other
Li4Cu2F8
14
14
148.51
mp-1180168
6.835161
6.033803
-3.164549
other
Na4Br4O8
16
14
304.62
mp-18456
8.439584
10.639316
-3.170388
other
La4Cr4O16
24
14
328.63
mp-1192600
-5.835509
-3.87761
-1.700121
other
Tb12Te12N4
28
14
804.05
mp-1199086
7.29945
6.673575
-3.287478
other
K4I8O24
36
14
656.13
mp-569132
1.365705
2.466317
-5.805179
other
K12In4Cl24
40
14
1,141.52
mp-22342
8.94599
6.828067
-3.725416
other
Pb4Se4O16
24
14
362.5
mp-770805
9.906066
11.589956
1.829314
other
Li12Hf4O14
30
14
302.81
mp-1208518
11.747322
7.183258
0.696465
other
Tb8Si4O20
32
14
402.75
mp-769938
6.850914
8.436249
-1.265671
other
Tb4Pr4O16
24
14
352.33
mp-1191657
6.422342
5.939731
-3.623972
other
Mg2Cl4O16
22
14
299.54
mp-570186
-0.509244
1.118274
-4.234867
other
Ga8Te8Br28
44
14
1,604.8
mp-626865
9.280156
5.198153
-4.277224
other
H8W4O20
32
14
351.28
mp-561307
-2.277081
-1.806154
-5.505553
other
Dy4S4Cl4
12
14
293.73
mp-4185
8.585047
1.092311
1.746259
other
Na6Sc2F12
20
14
255.66
mp-3368
10.823551
11.892821
2.567535
other
Li4Nb12O32
48
14
560.92
mp-1199051
6.372293
0.311866
-3.437865
other
B40H52I4
96
14
1,208.04