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-850955
11.734001
4.533414
-4.806752
other
Li2Fe2P6H28O32
70
1
661.98
mp-1236484
11.316426
7.625307
-2.819384
other
Li1Bi2As2Pb2O10
17
1
280.91
mp-2233570
11.36145
11.854083
2.289651
other
Mg1Nb2Cu2O6F2
13
1
178.76
mp-1046512
7.728087
10.713477
0.502803
other
Ba2Ca2Tl2Ni3O10
19
1
281.26
mp-695308
13.637583
5.277183
-6.603532
other
Ca4Gd4Th4P12O48
72
1
883.13
mp-1233073
10.557199
9.563474
1.990571
other
La4Mg1Ga2Fe2O12
21
1
286.32
mp-1233514
10.807899
4.198329
-6.861497
other
K2Nd2Mg1S4O16
25
1
427.25
mp-2713042
12.526033
3.525774
-8.331418
other
La9Nb3Si3S15O72
102
1
1,886.75
mp-1177464
13.508075
7.976364
-7.474627
other
Li4Mn3Fe3P6O24
40
1
474.61
mp-695254
9.898372
10.772738
3.251733
other
Ca10La6Mg3Ti13O48
80
1
953.27
mp-694926
11.063198
10.30725
2.503947
other
Ca1La9Ti5Cr5O30
50
1
618.48
mp-775973
10.854046
12.004105
-1.58068
other
Li4Cr1Te1W2O12
20
1
213.85
mp-2713808
13.506118
3.515063
-8.97659
other
Mg2Ta10Si9S9O72
102
1
1,547.53
mp-781013
13.396189
8.102688
-7.320349
other
Li6V4P8H4O32
54
1
576.06
mp-42036
12.23058
7.176586
0.481648
other
Nd6Al7Si5N3O25
46
1
556.81
mp-677325
9.049849
8.695996
0.964029
other
Ba8Tl2Bi2Pb4O17
33
1
666.7
mp-2713099
12.835898
3.613778
-8.515702
other
La6Hf6Si3S15O72
102
1
1,780.72
mp-768596
11.738709
8.720176
-8.137285
other
Li4Mn2V2P6O24
38
1
459.34
mp-1646328
5.850017
11.170537
-0.728781
other
La2Mg2Fe2Ni2O12
20
1
221.14
mp-1233855
12.688304
5.585609
-5.656546
other
Mg1Mn2P2H4O10
19
1
208.61
mp-1176833
15.525309
6.354326
-2.093
other
Li8Mn1Fe7B8O24
48
1
497.41
mp-1076183
9.610693
10.974958
2.303527
other
Sr28Ca4Ti12Mn20O80
144
1
2,025.39
mp-776113
10.618643
8.164775
-7.371344
other
Li8Ti1Mn7P12O48
76
1
906.4
mp-768753
8.494685
5.293211
-7.89347
other
Li6Mn4P4C4O28
46
1
541.82
mp-1233725
6.940054
10.439341
-0.566801
other
Ba10Mg1Mn6O24F2
43
1
783.98
mp-677659
7.588463
10.896811
1.227446
other
Sr7La7Cu7Ru7O42
70
1
878.83
mp-1234820
10.821064
9.193837
-3.318656
other
Ba2Mg1Mo4Se4O22
33
1
536.57
mp-2714729
13.226437
5.329823
-7.316553
other
Na18Zn3Sn21P36O144
222
1
3,044.93
mp-1233455
13.43892
8.209922
-7.413563
other
Mg1V1Fe1P4O14
21
1
288.48
mp-694992
9.685202
1.877572
-3.664296
other
Co1P2H18N6F12
39
1
420.06
mp-677337
7.602439
1.760304
-4.295317
other
H24C8S6N12Cl8
58
1
1,025.96
mp-2714073
13.893738
4.612755
-7.024081
other
Na21La9Zn3P18O72
123
1
1,862.13
mp-780313
11.8767
4.61958
-4.767137
other
Li2V2P6H28O32
70
1
670.81
mp-1233567
11.97458
11.125523
0.343607
other
Ba2Mg1Al2Fe8O14
27
1
337.33
mp-2227074
8.046271
7.401025
-3.016501
other
Na1Mg1Ni1I1O6
10
1
124.94
mp-774655
10.070306
11.974781
-1.366899
other
Li8Cr2Te4W2O24
40
1
426.46
mp-1235409
-1.159751
0.946023
-3.994794
other
Li1Ta2Te4Br10O1
18
1
648.73
mp-1076637
12.53837
11.026994
-1.135997
other
K12Na20V8Mo24O80
144
1
2,011.36
mp-1218540
8.599622
7.832211
-2.664793
other
Sr2Ca8Al20Si20O100
150
1
1,724.16
mp-1233937
13.279289
5.913628
-5.58381
other
Sr8Mg1P4I4O16
33
1
700.77
mp-2224722
11.347529
8.021293
-8.047233
other
Mg1Mn2P2O8F2
15
1
185.27
mp-1221180
11.752592
7.136567
-7.316759
other
Na5Ca2Fe3P6O24
40
1
478.74
mp-1224594
11.720852
6.236087
-4.833635
other
K4V4As6H12O31
57
1
734.11
mp-1099745
6.552901
11.729222
0.469878
other
Sr4Ca28Fe8Co24O80
144
1
1,811.92
mp-2240406
11.206463
10.809757
1.027163
other
Sr2Mg1Cu1Mo1O6
11
1
154.56
mp-757922
8.392097
13.312272
-1.263919
other
Li4Co3Cu2Sb3O16
28
1
304.67
mp-756380
11.807749
12.486809
0.028084
other
Li4Ti3Mn3W2O16
28
1
318.34
mp-776162
10.187453
8.249362
-6.897135
other
Li8Mn7Ni1P12O48
76
1
899.88
mp-1233820
10.388225
10.092564
1.693543
other
Sr4Ca1Mn2Ga2O10
19
1
317.61
mp-1235064
10.211789
10.18075
-0.850898
other
Rb2Li1Nb2Te2O12
19
1
299.68
mp-1176950
10.210226
8.254949
-6.935175
other
Li8Mn7Cu1P12O48
76
1
899.75
mp-2228480
13.905574
7.204952
-4.979837
other
Mg1Cd2Cu1P2O8
14
1
209.92
mp-755727
9.488866
12.605597
-2.694055
other
Li8Mn2V4W2O24
40
1
397.6
mp-2214625
12.076246
8.646798
-7.935535
other
Mn3V1Cr2P6O24
36
1
443.61
mp-1233897
13.304377
6.088148
-5.371696
other
Sr8Mg1P4I4O16
33
1
722.48
mp-2715389
14.94005
3.744601
-7.527331
other
Na12La2Nb6Si12O48
80
1
1,106.43
mp-694869
8.342924
11.28436
0.853636
other
Ca8Y4Fe12Sn8O48
80
1
1,048.46
mp-764443
9.563186
13.206216
-0.878243
other
Li4Mn3Fe3W2O16
28
1
309.82
mp-2714021
13.154799
3.451599
-8.500639
other
Na18Sc24Si9S27O144
222
1
3,197.87
mp-1076163
7.5148
11.969016
1.642905
other
Sr16Ca16Mn28Fe4O80
144
1
1,940.77
mp-772134
9.841614
4.85398
-6.945018
other
Li2Cr3Ni1S6O24
36
1
458.86
mp-1076481
11.581265
11.111106
1.137295
other
K5Na3Nb5W3O24
40
1
522.95
mp-861530
10.111588
13.388133
-0.576175
other
Li8Cr8Fe4Sb4O32
56
1
598.51
mp-1234397
12.961067
7.921265
-7.983805
other
Mg1Ti1Mn5P6O24
37
1
488.15
mp-1233650
13.642799
7.858011
-0.793279
other
Sr2Ca1V2Si4O14
23
1
318.93
mp-2229071
-4.189832
-0.905643
-5.500414
other
Rb2Mg1V2Cu4S8
17
1
405.59
mp-1247714
7.160041
11.8765
1.621215
other
Sr4Ca28Ti12Mn20O96
160
1
1,797.07
mp-1235761
8.761642
2.441813
-1.304297
other
Li1Te4H4O6F8
23
1
334.87
mp-1076195
12.614655
10.610989
-0.369314
other
K16Na16Mo16W16O80
144
1
2,106.47
mp-532701
11.480867
3.90657
-7.829114
other
Na6Mg6In2S12O48
74
1
994.69
mp-2713519
15.232018
3.783812
-7.709738
other
Na15Hf3Ta9Si18O72
117
1
1,604.6
mp-1233612
8.461074
4.010319
-6.420623
other
Ca1Tl6C2O6F2
17
1
379.68
mp-2231796
11.722876
11.128155
-1.276041
other
Na8Mg1Mo2N4O4
19
1
298.16
mp-757643
11.955485
7.777992
-7.488207
other
Li6Ni3P6W1O24
40
1
476.03
mp-776668
10.348146
8.235506
-7.088861
other
Li8Mn7Fe1P12O48
76
1
901.22
mp-2714227
14.552427
3.643427
-8.321836
other
Na6Nb24Si27S9O144
210
1
3,180.74
mp-2714349
15.190076
3.844539
-7.988999
other
Na9Ta12Si15P3O72
111
1
1,565.63
mp-42298
12.998433
6.324724
-0.593213
other
Na6Al4Fe1Si8O26
45
1
597.96
mp-2714023
13.481305
4.337724
-7.928256
other
Na15Si9Ge12P9O72
117
1
1,384.99
mp-677430
9.936412
11.13818
3.232213
other
Na1Li1La2Ti4O12
20
1
241.45
mp-1177045
14.191278
8.51453
-7.326151
other
Li12Mn2V6P12O48
80
1
953.75
mp-1076444
7.464673
11.602209
1.161558
other
Sr16Ca16Mn8Fe24O80
144
1
1,942.69
mp-768511
13.676134
7.929583
-7.767508
other
Li8Mn3V1P6O24
42
1
492.76
mp-704100
8.247517
3.767337
-6.3503
other
K20Na4Fe8C48O96
176
213
2,636.07
mp-1211231
12.517858
5.69417
-6.19687
other
Na12Be12B12P24O100
160
213
1,983.78
mp-1208391
10.542211
10.610712
1.935557
other
Ti12Nb4Zn4Bi12O56
88
213
1,139.56
mp-1214690
9.485168
7.278641
-5.328326
other
Be12B12P24N12O100
160
213
2,074.3
mp-1212145
12.560087
5.645876
-6.220706
other
K12Be12B12P24O100
160
213
2,057.35
mp-570177
8.279829
0.777253
-4.493826
other
Te4H80C24N8Cl24
140
205
1,980.44
mp-24447
8.7217
1.191546
-4.230595
other
Fe4Co4H72N24Cl24
128
205
1,434.91
mp-600257
8.279627
0.774726
-4.494346
other
Ga8H96C32N8Cl24
168
205
2,220.95
mp-1198095
10.565179
3.862595
-4.370695
other
Cs4Al4H96S8O80
192
205
1,944.03
mp-727512
10.557135
3.972709
-4.432057
other
Cs4V4H96S8O80
192
205
1,871.57
mp-746676
10.317787
3.99743
-4.42587
other
Cs4Mn4H96S8O80
192
205
1,945.9
mp-570348
8.311604
0.784283
-4.499671
other
Sn4H80C24N8Cl24
140
205
1,901.93
mp-24554
8.682271
1.806017
-4.29107
other
Al8H144C24N72F48
296
205
2,790.19
mp-24523
10.419991
4.242858
-4.283896
other
Cs4Al4H96Se8O80
192
205
1,941.5
mp-723378
10.010536
2.195502
-2.300077
other
K4Al4H24O8F24
64
205
628.71
mp-24046
10.587042
3.87913
-4.359468
other
Na4Al4H96S8O80
192
205
1,851.65
mp-707209
10.327987
3.893404
-4.393435
other
Cs4H96Rh4S8O80
192
205
1,924.48