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-757918
14.482851
9.00258
-3.165753
other
Li4V16P12O48
80
62
944.23
mp-643384
9.510707
3.345754
-3.43645
other
Ba4H4I4O4
16
62
416.28
mp-560740
10.523608
7.705165
2.965822
other
La8Sn4S12O8
32
62
662.76
mp-1199487
8.257778
1.219698
-4.027877
other
Mo4H32S16N8
60
62
832.35
mp-1238898
-4.798428
-0.131833
-5.489419
other
Ti4Cr4Ag4S16
28
62
653.82
mp-697994
10.172875
4.309997
-5.19635
other
Cu12H16S4O32
64
62
629.8
mp-680045
-6.028687
-3.545315
-2.033543
other
K8Ce4Ag12Te16
40
62
1,259.15
mp-1364623
11.243146
7.829276
-7.766516
other
Ca4Mn8P8O36
56
62
700.42
mp-560270
7.810521
9.662903
-3.793363
other
Cs4Cr4Cl4O12
24
62
570.93
mp-542979
11.547971
12.413442
-3.059571
other
Mn4V4Ag4O16
28
62
368.37
mp-1099034
10.349059
8.266571
-7.247028
other
Na4Mn8P8O36
56
62
678.12
mp-1239248
-4.729165
-0.576945
-5.392188
other
Zr4Cr4Cu4S16
28
62
619.97
mp-757019
14.903119
7.856969
-5.624878
other
Li4Fe4P4O16
28
62
312.06
mp-562569
-2.497755
-0.597838
-5.408546
other
Cs4P4Pb4S16
28
62
806.74
mp-1210150
8.757737
7.268032
-3.845891
other
Na4Zn8Se8O28
48
62
710.79
mp-650538
5.831614
3.600823
-4.525748
other
W8C28Br16O28
80
62
1,710.44
mp-703306
3.102288
0.08069
-2.912437
other
Li16H16Br8N8
48
62
783.79
mp-556855
8.793077
8.258782
-0.296333
other
Ba12Bi4Cl12O12
40
62
1,058.21
mp-707727
6.908742
2.287946
-4.064213
other
H8C8N8O4
28
62
345.58
mp-1194418
-3.350081
-1.739177
-5.489961
other
Cs4Ce4Si4S16
28
62
791.38
mp-1232382
13.380582
6.315143
-6.415495
other
Li4Si4P4O20
32
62
298.98
mp-1225460
10.125398
4.473368
-4.925476
other
Fe4H36S8O48
96
62
997.29
mp-1238901
-5.050825
-0.133435
-5.622249
other
Ti4Cr4Ag4S16
28
62
505.24
mp-1198919
10.061845
9.158405
-1.805042
other
Ba12Te12Br8O32
64
62
1,438.26
mp-1211305
10.067757
11.789754
-3.959614
other
K4V4H4O12
24
62
418.1
mp-6643
9.48144
8.543859
2.92374
other
Ba4Dy8Zn4O20
36
62
512.59
mp-1192754
-3.353337
-0.99745
-5.242798
other
Cs4Ba4V4S16
28
62
859.05
mp-559692
13.704146
5.855184
-7.35536
other
Ta8Cd4P24O84
120
62
1,830.43
mp-19017
14.817975
7.839355
-5.177595
other
Li4Fe4P4O16
28
62
284.5
mp-1043495
9.158573
7.89968
-5.578382
other
Ti4Ni4P8O36
52
62
711.07
mp-18892
11.071204
11.845186
-3.254791
other
K4Ba4V4O16
28
62
502.56
mp-1204024
11.174534
5.396384
-4.63607
other
Zn12As8H28O48
96
62
1,104.97
mp-560981
13.59874
5.517098
-6.549674
other
Na4Mg16P12O48
80
62
985.26
mp-1202660
5.806719
5.231388
-4.384059
other
Hg4N16Cl8O24
52
62
1,107.29
mp-505448
-4.719923
-2.994785
-3.84676
other
Na4Hf4Cu4Se12
24
62
531.11
mp-1197439
8.312646
6.053234
-5.301618
other
K12S12N4O44
72
62
1,234.47
mp-680461
-3.887486
-1.930393
-5.280508
other
Cu8Bi32Pb8S60
108
62
2,631.6
mp-1192182
3.338527
0.359943
-1.317934
other
Sr8Li4H8N4
24
62
400.08
mp-16921
-4.62827
-5.485263
0.429193
other
K4Na16Ge4As12
36
62
976.93
mp-757510
12.179497
7.590136
-7.018067
other
Li4Ni16P12O48
80
62
864.52
mp-1195126
8.255239
2.164802
-0.871625
other
Mn4Sb12Xe4F92
112
62
2,023.52
mp-1214971
-3.930378
-1.367343
-5.604977
other
Ag24Ge4S16Cl8
52
62
1,162.53
mp-23096
9.710381
6.864613
-3.219919
other
Lu4Se4Cl4O12
24
62
432.76
mp-6501
9.509259
8.53629
3.012264
other
Ba4Ho8Zn4O20
36
62
507.15
mp-1044945
9.737575
7.845709
-6.190658
other
Mg4Cu8P8O36
56
62
636.51
mp-570566
-4.569775
-5.720979
0.502868
other
Rb20Ta4Tl8As16
48
62
1,698.89
mp-753835
8.9972
15.16398
-0.525588
other
Li4Mn8O12F4
28
62
314.55
mp-1202875
8.683585
1.22009
-4.428981
other
Cu4H20N8Cl12
44
62
591.9
mp-1193041
12.822129
6.184976
-5.261163
other
Cs4P4O8F8
24
62
450.72
mp-1195500
9.493373
6.992642
-3.354409
other
Rb4Y4Se8O24
40
62
735.96
mp-1214737
7.447522
9.697573
0.816407
other
Ba4Eu8Cu4O20
36
62
541.66
mp-867968
11.342835
7.582069
0.664956
other
Na4Ho16Ge8O44
72
62
1,023.84
mp-559379
10.578377
9.185773
-1.844817
other
Sb4Te4Cl4O12
24
62
468.26
mp-1198524
9.223126
11.170785
-1.338795
other
Cu12Te4Pb4O28
48
62
609.38
mp-510577
2.701923
-0.390701
-1.694729
other
La4Ni4Sn4H4
16
62
282.45
mp-1209376
9.051947
0.50346
1.024231
other
Rb4Al4Cu4F24
36
62
504.47
mp-559969
10.438805
8.010766
1.680739
other
Ca4La4Ga4O16
28
62
442.55
mp-1200806
11.6927
4.653354
-4.9834
other
Zn12P8H32O48
100
62
1,028.15
mp-1227543
7.400003
12.097167
1.942859
other
Ca4Nd8Mn12O36
60
62
708.47
mp-554495
13.991519
5.045811
-7.31719
other
Ca4Zr4P8O32
48
62
611.29
mp-1196094
8.601417
7.26173
-4.364149
other
Cr12H16N4O32
64
62
731.32
mp-767620
13.727672
9.005145
-0.990611
other
Li4V4Si4O16
28
62
255.47
mp-622278
10.481438
11.721963
-3.683374
other
Tl4V8Sb4O32
48
62
746.82
mp-556744
-3.548944
-1.48183
-5.711145
other
Tl8In8Si8S32
56
62
1,651.39
mp-7995
13.672144
4.891805
-2.094588
other
Mg8B4O12F4
28
62
281.65
mp-720869
9.175589
2.794223
-4.916691
other
H48C16N8O36
108
62
988.26
mp-570590
-4.533705
-2.576734
-4.025248
other
Cd4Bi4Se8Br4
20
62
555.25
mp-1272179
8.386389
11.286423
2.355213
other
Ba8Mn4Nb4O24
40
62
562.14
mp-1200284
11.930868
6.984373
-0.818991
other
Al12Si12Pb8O52
84
62
1,026.16
mp-1203977
8.776846
10.837771
-3.368901
other
V4Zn4Pb4O20
32
62
445.06
mp-505193
9.175209
8.968168
2.841951
other
Ba4Tm8Co4O20
36
62
491.11
mp-859186
12.642082
7.728037
-1.597022
other
Ca4Fe12Si8O36
60
62
691.45
mp-1210495
13.044362
5.881517
-6.591887
other
Na12P12H4O36
64
62
851.83
mp-1195849
12.885503
6.387905
-5.792467
other
Na8Zn12P16O48
84
62
1,374.17
mp-1192496
9.366827
3.231043
-4.927101
other
H12C4O8F4
28
62
318.92
mp-1202603
8.699375
1.111385
-4.014981
other
Ga4H72I12N28
116
62
1,697.4
mp-1178457
10.222685
4.36789
-7.131821
other
Cs4Li4S4O16
28
62
629.34
mp-776467
9.065671
12.114773
0.10996
other
Li36Y4Ni8O32
80
62
811.48
mp-18453
8.758463
0.807764
1.012643
other
Rb4Al4Pd4F24
36
62
550.21
mp-1176642
12.176655
6.160413
-3.147604
other
Li4Mn4B4O16
28
62
255.86
mp-1194398
9.566767
6.088225
-4.214493
other
Ga4H4Se4O16
28
62
313.36
mp-1213690
7.557759
4.215672
-5.382626
other
Cs4C4O8F8
24
62
452.51
mp-558844
6.085855
3.651225
-4.137956
other
S12N12Cl12O12
48
62
999.48
mp-729063
7.522252
5.510903
-4.190504
other
Pb24C4N4O44
76
62
1,348.66
mp-774462
8.773544
8.143936
-4.793602
other
Li4Fe4P4O20
32
62
345.98
mp-555904
11.602473
7.403641
0.162666
other
Na4Sm4Ge4O16
28
62
418.65
mp-758106
12.378782
7.491706
-7.435193
other
Li4Ni4P4O16
28
62
287.5
mp-1201916
10.73277
9.594087
-2.219737
other
Y8Te12Mo4O48
72
62
1,064.56
mp-758390
12.405893
7.401216
-7.406954
other
Li4Ni4P4O16
28
62
278.18
mp-17918
-3.328808
-2.109142
-5.259624
other
Ba8Sn4S12F8
32
62
775.5
mp-17734
9.175525
8.806172
2.763143
other
Sr4Ho8Cu4O20
36
62
483.98
mp-757427
12.586869
6.724617
-1.239349
other
Li12Fe4Si24O60
100
62
1,178.25
mp-758353
14.330492
8.826124
-3.769914
other
Li4P4W4O20
32
62
382.34
mp-1221044
-2.988638
-2.468179
-5.78286
other
Nd8In4Cu4S20
36
62
754.88
mp-542802
-3.519979
-1.947165
-5.900143
other
Y4Cu4Pb4S12
24
62
526.02
mp-1049243
9.556772
7.758827
-5.988436
other
Zn4Cu8P8O36
56
62
640.82
mp-706653
9.893991
2.83949
-4.630481
other
H32S8N8O20
68
62
685.03
mp-706679
10.040159
4.433882
-5.437687
other
Na8H16S8O32
64
62
829.22
mp-774715
9.858731
10.520289
3.376433
other
Ba16Li4Nb12O48
80
62
1,162.83
mp-758932
9.985519
12.136398
0.142294
other
Li40Fe8H8O32
88
62
884.8