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-1217837
10.856359
12.913818
-3.473576
other
Sr1V4O10
15
8
192.43
mp-755704
10.354191
12.854377
-3.695753
other
V3Ni1O8
12
8
141.58
mp-758585
5.147639
11.365526
-2.290466
other
Fe4O7F1
12
8
128.71
mp-530444
8.898875
14.847075
-0.35023
other
Mg10Mn20O40
70
8
794.48
mp-998325
-1.253951
2.466192
-2.340032
other
Rb1Ca1I3
5
8
239.4
mp-531376
1.520682
2.468721
-5.428566
other
Li16Mn12Cl40
68
8
1,473.55
mp-685945
10.319187
9.971137
3.331997
other
Er14Ti10O41
65
8
801.77
mp-1176425
12.895652
-0.834613
0.387791
other
Mn8O8F8
24
8
275.86
mp-1185679
-6.029001
-8.298056
5.646523
other
Mg16Al12In1
29
8
588.66
mp-732190
6.389397
5.626554
-4.39423
other
U1N2O10
13
8
293.82
mp-2219015
12.658715
12.907406
-1.161631
other
Mg1V4O8
13
8
156.14
mp-2217073
12.730414
11.281633
1.803432
other
Mg1Ti3O6
10
8
108.18
mp-1333835
9.702154
8.65208
-0.028929
other
Mg6Bi12O24
42
8
661.94
mp-775485
11.159614
7.524489
-2.135268
other
Bi18P6O42
66
8
1,035.72
mp-861713
10.90029
0.983842
1.897299
other
Mn5O2F6
13
8
194.26
mp-1351530
12.823693
10.789416
1.780123
other
Mg8Ti16O32
56
8
621.96
mp-774528
12.201515
12.169621
1.841174
other
Li11Ti24O48
83
8
909.36
mp-1223341
8.668984
1.705633
1.165794
other
K1Sn2F5
8
8
163.85
mp-1216704
-2.646616
-2.771572
-5.719456
other
Tm4Cr1S7
12
8
251.53
mp-777810
2.657448
2.356102
1.589288
other
Ge11N11O5
27
8
291.22
mp-1353803
6.867849
9.646106
-1.675504
other
Zn6Ag12O24
42
8
548.31
mp-1200359
8.148369
9.854348
0.105506
other
Na12Cu7O14
33
8
422.14
mp-766830
8.281175
14.664729
-1.167639
other
Li9Mn14O32
55
8
570.6
mp-1102157
6.109445
11.159899
-1.508929
other
Na1Ni3O8
12
8
137.65
mp-998744
1.471798
2.472342
-5.534667
other
Tl1Ge1Cl3
5
8
151.04
mp-1444917
7.177642
10.967922
-0.985193
other
Mg2Cu4O8
14
8
152.45
mp-676275
8.370784
1.341767
1.3406
other
Nd2Pb5F16
23
8
374.34
mp-1215807
-3.198127
-2.151693
-5.249611
other
Yb4Cr1S7
12
8
260.22
mp-1324558
9.704656
8.655849
-0.020276
other
Mg8Bi16O32
56
8
885.53
mp-1223171
11.930706
13.50636
-1.028127
other
Li19V12O32
63
8
582.77
mp-754937
11.865502
12.276527
1.941513
other
Li1Ti3O6
10
8
105.45
mp-759774
11.34853
12.349118
2.086699
other
Na6Ti11O24
41
8
497.99
mp-1216013
-4.502254
-3.71119
-3.789821
other
Yb4Cr1Se7
12
8
308.96
mp-675152
8.37708
1.351952
1.083397
other
Nd1Pb8F19
28
8
483.65
mp-675758
8.459518
1.131326
1.882904
other
Sr4La2F14
20
8
312.31
mp-1224242
-4.174446
-4.161016
-3.630899
other
Ho4Fe1Se7
12
8
282.29
mp-760866
8.240905
14.594228
-1.319383
other
Na5Mn11O24
40
8
476.14
mp-1216113
-2.75009
-2.701938
-5.745482
other
Y4Mn1S7
12
8
264.3
mp-1216980
-5.596425
-3.479656
-0.797724
other
U4Cu1Te12
17
8
548.59
mp-998195
1.242433
2.55168
-5.733507
other
Rb1In1Cl3
5
8
162.1
mp-1045634
5.731416
12.091651
-1.930719
other
Zn1Fe4O8
13
8
157.26
mp-1358345
12.233699
7.549115
-0.21866
other
Al10Cu6O21
37
8
438.69
mp-34569
8.042657
13.489567
-0.982966
other
Mg6Fe12O24
42
8
454.51
mp-685340
-4.024508
-1.221903
-5.796233
other
Cu8Sn30S64
102
8
2,343.64
mp-1183642
12.108005
6.726565
0.314887
other
Ca9Si3O15
27
8
366.03
mp-675271
7.30275
5.386727
-5.019685
other
Na2C1O5
8
8
140.61
mp-1179783
6.488381
5.851327
-3.869862
other
Rb1I1O3
5
8
183.55
mp-1223908
-7.123689
-3.650481
4.449087
other
Hf2Ga3Cu1
6
8
97.71
mp-532433
7.9884
13.458908
-1.079828
other
Mg10Fe20O40
70
8
723.91
mp-37727
10.339761
9.842213
3.360138
other
Er10Ti6O27
43
8
542.09
mp-559736
10.354554
12.616294
-3.707797
other
V4Ag4O12
20
8
248.93
mp-625870
11.097411
6.213043
-4.755621
other
V3H4O8
15
8
192.21
mp-1331876
6.724423
13.697209
-1.780431
other
Mg6Co12O24
42
8
418.89
mp-1364538
11.335898
12.353962
-0.060143
other
Ca8Cr16O32
56
8
691.08
mp-2234320
11.216208
12.369257
-3.395518
other
Cs1V2O5
8
8
178.47
mp-1235108
11.32882
8.69722
2.432441
other
Li1Ho2O3
6
8
82.22
mp-1041330
8.404378
13.173621
-0.64603
other
Ca6Fe12O24
42
8
528.9
mp-626084
10.97334
10.727566
-3.522752
other
Mo2H1O6
9
8
113.4
mp-998391
-0.3929
1.233671
-4.627522
other
Rb1Tl1Br3
5
8
198.67
mp-1220138
0.311245
2.141989
2.289186
other
Ni1Mo4N5
10
8
101.18
mp-660213
-5.655901
-3.849575
-1.690201
other
Cs4Mn2Te4
10
8
452.65
mp-1216572
-6.234473
-1.074806
3.750772
other
V5Cr5Ge6
16
8
216.64
mp-1216689
-6.391605
-2.747201
-1.806894
other
Tl1Cr5Te8
14
8
385.04
mp-686369
-4.04496
-0.277452
-3.341296
other
Ta22Cu3S36
61
8
1,138.82
mp-1182074
8.418421
10.663531
1.352606
other
Ca2Co1O3
6
8
115.86
mp-1216196
-8.062209
-4.387208
5.281742
other
Y3Ga8Ni3
14
8
245.98
mp-753134
8.936606
15.181992
0.037055
other
Li6Mn5O10
21
8
219.66
mp-752877
8.574373
4.160752
-1.240154
other
Fe4O5F3
12
8
138.99
mp-752983
10.587602
9.816234
3.959074
other
Ce1Zr7O16
24
8
286.59
mp-549389
8.830912
3.250172
-7.634413
other
Li4C1O4
9
8
70.87
mp-676778
8.390068
1.400199
0.877855
other
K2Bi2F8
12
8
221.91
mp-675198
11.251674
11.223898
-2.528786
other
Ba1W6O19
26
8
384.76
mp-1041069
8.864196
14.784543
-0.578023
other
Mn12Zn6O24
42
8
478.5
mp-1325878
12.987974
10.620448
-0.096627
other
Mg8Mo16O32
56
8
718.79
mp-1181620
7.510664
6.504292
-3.121644
other
Co1I2O6
9
8
121.58
mp-1224056
-2.638229
-2.787797
-5.481305
other
Ho3Sc2S7
12
8
252.26
mp-675818
-5.004121
-5.121284
0.54208
other
Li11Ti1As5
17
8
283.27
mp-1209446
11.504647
7.286439
0.614465
other
Sm18P6O42
66
8
988.9
mp-1178229
13.085303
0.418201
0.793715
other
Fe3O3F3
9
8
107.32
mp-2215874
12.431967
11.757359
1.924013
other
Mg1Ti4O8
13
8
156.02
mp-766385
9.989662
12.515285
-3.9945
other
Li5V12O32
49
8
570.96
mp-674343
-4.251835
-0.309899
-4.771804
other
Ti10Cu7S20
37
8
649.69
mp-626561
12.918664
11.134672
-2.837022
other
V6H4O13
23
8
249.37
mp-1046238
10.560326
9.561656
-0.340817
other
Mg1Sb4O8
13
8
245.03
mp-672338
-6.009167
-3.775395
-1.873175
other
Cs4Bi16Te24
44
8
1,683.98
mp-558482
8.501532
9.969406
0.146393
other
K17Fe5O16
38
8
701.6
mp-1395111
-8.015705
-3.394242
4.367097
other
U4Ga20Ni11
35
8
538.95
mp-1217877
-6.079531
-2.099004
1.352702
other
Tb14P24Ir33
71
8
1,167.5
mp-1176421
10.816857
9.349296
0.197485
other
Mn4Zn16O20
40
8
484.21
mp-1216491
12.381911
12.409925
-2.449746
other
V3As2O9
14
8
170.68
mp-1180596
8.919855
3.560438
-7.931095
other
Li4C1O4
9
8
91.02
mp-2217205
12.722519
11.262094
1.871726
other
Mg1Ti3O6
10
8
123.95
mp-757574
9.295853
8.739995
1.74808
other
Ba8In8O19
35
8
615.52
mp-1220786
-5.40084
-2.045922
-1.48142
other
Nb12Tl1Te16
29
8
749.66
mp-675520
11.611403
11.86957
0.860756
other
Ta9Mn11O34
54
8
618.21
mp-663224
-4.112074
-1.349
-4.475932
other
Rb2Pt3S4
9
8
238.78
mp-795621
6.916598
7.01782
-3.9657
other
Ca2Cr1O8
11
8
155.06
mp-2223927
10.315005
12.71604
-3.927159
other
Mg1V6O15
22
8
303.03
mp-1301120
6.481106
13.811867
-1.891587
other
Na6Co10O20
36
8
408.97
mp-708089
9.984476
4.151976
-4.234388
other
H30S2O21
53
8
608.52