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-565428
8.383137
13.160082
-1.664706
other
Mn4Bi3N1O15
23
149
296.91
mp-1233160
8.530698
11.885745
-0.762303
other
Ba1Mg1Fe4O8
14
149
224.95
mp-2224172
10.420972
9.494563
0.583589
other
Ba1Mg1Sb2O6
10
149
160.67
mp-545399
7.460278
7.976758
-3.405663
other
Na1Ni1I1O6
9
149
114.81
mp-1205831
7.70353
7.392485
-3.678464
other
Na1Mn1I1O6
9
149
110.68
mp-1147706
7.449862
8.810935
-2.622547
other
K1Ni1Te1O6
9
149
135.98
mp-10341
9.992675
9.452215
-1.28976
other
Sr1Ge1Te1O6
9
149
126.15
mp-1273249
8.455023
3.693763
-7.342037
other
Li4V4C8O24
40
149
400.74
mp-2217167
10.837446
10.760676
-0.245244
other
Mg1Mn1Sb2O6
10
149
139
mp-1147551
7.829036
8.747808
-3.277965
other
K1Cu1Te1O6
9
149
139.99
mp-1147557
7.660472
7.640723
-3.363965
other
Ba1Ni1I1O6
9
149
132.36
mp-1147553
7.517174
7.90425
-3.502904
other
K1Cu1I1O6
9
149
142.62
mp-2217402
10.508842
9.609315
0.459614
other
Sr1Mg1Sb2O6
10
149
152.19
mp-2222815
10.379084
9.653329
0.115917
other
Mg1Sb2Pb1O6
10
149
153.98
mp-2232127
9.634174
11.279303
0.076011
other
Ba2Mg1Fe4O8
15
149
253.18
mp-23914
10.198
3.187126
-3.874054
other
Ca1H12Cl2O6
21
150
216.95
mp-1211344
11.723731
3.94752
-7.761139
other
K1Sc1S2O8
12
150
190.63
mp-1214883
8.324702
6.343648
-5.528947
other
Al1S2N1O8
12
150
181.58
mp-1208045
9.618086
5.12085
-6.918584
other
Tl4Fe4S8O32
48
150
775.03
mp-1208026
8.798811
7.037609
-3.854994
other
Tl1Fe1Se2O8
12
150
212.91
mp-1213159
11.686269
3.895278
-7.73886
other
Cs1Sc1S2O8
12
150
211.5
mp-17944
8.95386
0.955644
1.444765
other
Na3Ca3Al3F18
27
150
343.88
mp-1176757
8.385879
3.730353
-7.337584
other
Li3V3C6O18
30
150
300.05
mp-1214023
11.269679
7.542179
-0.835534
other
Ca3Ga3Ge3O14
23
150
295.93
mp-2713996
11.814638
3.845696
-7.971902
other
La6In6S18O72
102
150
1,792.66
mp-1214410
3.475035
-0.485156
-2.345331
other
Ca1H12W6Cl2
21
150
276.47
mp-21686
-3.288625
-1.608474
-5.12996
other
Ba12U3Cr6S27
48
150
1,220.99
mp-24044
10.173112
3.063457
-3.854631
other
Ca1H12Br2O6
21
150
234.39
mp-1208025
8.952966
6.911651
-3.894027
other
Tl1Ga1Se2O8
12
150
206.99
mp-1210934
8.941494
1.040083
0.86652
other
Li3Zn3In3F18
27
150
336.68
mp-22038
8.827042
6.945203
-3.784697
other
Rb4Fe4Se8O32
48
150
852.37
mp-2714007
12.371167
3.759169
-8.20056
other
Y6Sc6S18O72
102
150
1,668.7
mp-1195799
13.093296
5.545262
-2.751566
other
K6Fe6B6O21
39
150
591.84
mp-1209251
8.964728
6.846708
-3.943007
other
Rb1Al1Se2O8
12
150
200.29
mp-504460
9.745669
1.262724
1.34519
other
Li3Mn3Ga3F18
27
150
322.94
mp-6788
11.097955
7.841039
0.800731
other
La3Ga5Sn1O14
23
150
315.4
mp-2713725
11.921922
3.904528
-8.056419
other
Y6In6S18O72
102
150
1,680.38
mp-2713949
11.904771
4.172661
-8.223056
other
Al6In6S18O72
102
150
1,420.52
mp-554139
11.749219
7.417701
-0.48178
other
Ba3Ga2Ge4O14
23
150
334.68
mp-1209246
9.819319
4.782632
-7.096062
other
Rb2Cr2S4O16
24
150
377.56
mp-1212631
8.238831
6.305452
-5.501925
other
Ga1S2N1O8
12
150
175.73
mp-1211292
9.776249
2.197704
1.96863
other
Li3Ti3Fe3F18
27
150
321.25
mp-556936
13.683938
4.399721
-1.958018
other
Cs6Ba6B18O36
66
150
1,068.38
mp-2713819
11.989748
3.63821
-7.944457
other
La6Y6S18O72
102
150
1,891.09
mp-1209187
11.576448
3.95355
-7.708743
other
Rb1Sc1S2O8
12
150
194.4
mp-1209140
8.970992
6.861537
-3.843228
other
Rb1Ga1Se2O8
12
150
208.35
mp-1208994
11.68149
3.991848
-7.723255
original
Sc1Tl1S2O8
12
150
193.39
mp-1211281
11.097812
7.903107
1.367461
other
La3Hf1Ga5O14
23
150
314.48
mp-1212712
8.111057
6.543913
-5.366285
other
Fe1S2N1O8
12
150
180.83
mp-22200
10.807185
0.430148
1.270135
other
Li3Mn3Fe3F18
27
150
329.27
mp-669367
11.339518
4.236787
-7.730658
other
K1Al1S2O8
12
150
170.89
mp-1209008
8.341497
6.249141
-5.539957
other
Sc1S2N1O8
12
150
193.44
mp-1209213
10.711082
4.317073
-7.4887
other
Rb1Ga1S2O8
12
150
177.64
mp-636461
11.790092
7.461208
-0.907512
other
Ga2Ge4Pb3O14
23
150
316.62
mp-2713730
11.626255
4.306057
-8.040147
other
Al6Ga6S18O72
102
150
1,307.72
mp-1193498
3.373753
-0.699758
-2.422237
other
Li3Mg3Al3H18
27
150
242.45
mp-2713847
11.871712
3.909953
-8.116121
other
La6Ga6S18O72
102
150
1,651.53
mp-561525
13.529784
4.588333
-2.062229
other
K6Ga6B6O21
39
150
578.42
mp-1182904
7.236301
7.486537
-3.817949
other
Al1I2N1O15
19
150
326.93
mp-1209999
10.281411
0.531245
1.16601
other
Na3Mn3Fe3F18
27
150
373.08
mp-555333
10.903998
0.388398
1.269816
other
Li3Mn3Fe3F18
27
150
320.08
mp-2713903
11.911087
3.988486
-8.149697
other
Y6Ga6S18O72
102
150
1,549.35
mp-2232179
10.042968
11.262182
0.046286
other
Ba2Mg1Fe4O8
15
150
275.12
mp-1212677
7.801333
7.403593
-3.98846
other
Fe1Se2N1O8
12
150
213.64
mp-2713963
12.146444
3.985404
-8.169197
other
Sc6In6S18O72
102
150
1,567.84
mp-1193222
9.197626
0.959454
1.28554
other
Li3Mg3Al3F18
27
150
283.58
mp-2713984
11.633399
4.222151
-8.101418
other
In6Ga6S18O72
102
150
1,474.34
mp-23885
10.194646
3.17147
-3.886426
other
Sr1H12Cl2O6
21
150
232.38
mp-1211938
11.343458
8.016412
1.361498
other
La3Ta1Ga5O14
23
150
320.72
mp-1211258
11.156699
7.92292
1.185163
other
La3Ti1Ga5O14
23
150
306.96
mp-1209220
9.708703
5.170239
-6.972479
other
Rb1Fe1S2O8
12
150
179.79
mp-562909
7.162895
11.809544
1.731162
other
Sr12Mn6Co3O27
48
150
642.3
mp-1209303
11.332864
4.1873
-7.72749
other
Rb1Al1S2O8
12
150
178.19
mp-1213179
10.664722
4.358789
-7.472048
other
Cs1Ga1S2O8
12
150
185.62
mp-1211677
9.799412
4.851926
-7.071618
other
K2Cr2S4O16
24
150
356.37
mp-1208039
10.834028
4.407485
-7.394697
other
Tl1Ga1S2O8
12
150
178.1
mp-1228453
8.85638
8.861598
0.225026
other
Ba9Sr3Hg12O24
48
150
1,033.37
mp-560217
13.631578
4.502558
-1.883953
other
K6Al6B6O21
39
150
535.64
mp-1211276
11.338969
8.046605
1.311782
other
La3Nb1Ga5O14
23
150
314.73
mp-1211111
9.76772
1.649329
1.636485
other
Li3Ti3Co3F18
27
150
312.41
mp-1214741
12.144785
7.56167
-0.71934
other
Ba3Fe1Ge5O14
23
150
346.86
mp-1193542
10.353354
2.298354
1.891567
other
Li3Mn3V3F18
27
150
298.85
mp-1211277
11.079495
7.886803
1.357241
other
La3Zr1Ga5O14
23
150
315.46
mp-2713743
12.121713
4.093051
-8.268554
other
Sc6Al6S18O72
102
150
1,405.55
mp-1219334
12.940924
6.837333
-6.511329
other
Si4P6Rh2O26
38
150
517.5
mp-1208805
7.480337
10.587696
0.946473
other
Sr12Fe3Rh6O27
48
150
667.73
mp-1213684
9.854111
4.799606
-7.103681
other
Cs2Cr2S4O16
24
150
403.92
mp-1207838
8.861553
5.884717
-6.162884
other
V1S2N1O8
12
150
190.45
mp-18641
9.72391
1.132565
1.330603
other
Na3Mn3Cr3F18
27
150
370.11
mp-2713794
12.128181
4.033169
-8.295712
other
Sc6Ga6S18O72
102
150
1,447.95
mp-1214828
8.998958
6.895808
-4.023159
other
Al1Tl1Se2O8
12
150
200.24
mp-1208041
9.70348
4.887802
-6.903072
other
Tl1Cr1S2O8
12
150
184.56
mp-1221072
7.864239
10.160682
1.140323
other
Na2Sr22Pt6O36
66
150
968
mp-1214834
11.461152
4.205618
-7.69269
other
Al1Tl1S2O8
12
150
178.69
mp-2713841
12.314068
3.678747
-8.144586
other
La6Sc6S18O72
102
150
1,760.23
mp-1214825
7.922803
7.301269
-4.229528
other
Al1Se2N1O8
12
150
198.58
mp-680547
7.743461
10.297587
0.789639
other
Ba42Ir24Pd9O99
174
150
2,778.64
mp-2713858
12.064298
3.990698
-8.198242
other
Y6Al6S18O72
102
150
1,499.37
mp-1208179
9.945715
2.372214
-2.403228
other
Ti1H6O2F6
15
150
152.05
mp-1212618
7.957017
7.265399
-4.122789
other
Ga1Se2N1O8
12
150
207.25