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-36641
-6.045822
-3.39738
-2.265137
other
Cd1Ga6Te10
17
5
567.48
mp-2228229
8.450223
10.723263
-0.125071
other
Mg1Cu2O2
5
5
64.04
mp-550498
8.97799
3.479678
-7.822439
other
Li4C1O4
9
5
91.69
mp-1096523
-1.751906
-8.200556
2.267871
other
Nb2Co1Re1
4
5
881.8
mp-761085
8.474782
14.974513
-0.886243
other
Na9Mn21O40
70
5
820.15
mp-1281163
12.779394
13.418011
-0.953382
other
Li4V6O12
22
5
226.87
mp-752980
12.380128
12.567563
-4.091587
other
V4O6F6
16
5
206.71
mp-1224649
-6.101201
-3.44837
-2.106004
other
In12Te20Pb2
34
5
1,291.38
mp-752867
11.535126
2.986924
1.264312
other
V2O1F5
8
5
94.73
mp-1046527
9.890324
12.415468
-2.01377
other
Cr10Te6O36
52
5
646.42
mp-1224723
9.97572
8.474464
3.128899
other
Gd3Y13O24
40
5
602.96
mp-1223195
-5.651188
-3.795201
-0.903094
other
La4U2Te10
16
5
533.85
mp-765705
13.100732
12.661117
-0.692374
other
Na1V5O8
14
5
165.37
mp-757791
10.019426
8.488886
3.144741
other
Sm1Y15O24
40
5
600.27
mp-754859
13.351052
0.440734
1.198973
other
Fe10O9F11
30
5
352.21
mp-1101212
10.91469
2.816782
1.485243
other
V8O2F22
32
5
395.33
mp-559373
11.687854
7.439228
-1.017068
other
Ge4Pb1O9
14
5
178.72
mp-2220837
12.727181
12.362958
-1.362013
other
Mg1V4O8
13
5
159.28
mp-1931566
10.361513
1.023263
1.479281
other
Mn2Zn2F8
12
5
142.98
mp-1272159
12.775712
13.405678
-0.945541
other
Li4V6O12
22
5
228.19
mp-1219573
9.231821
2.075112
-2.036316
other
Sb1H7F12
20
5
203.3
mp-1222107
10.662972
12.589061
-3.750569
other
Mg2V6O16
24
5
296.83
mp-2217090
12.212351
11.207407
1.949036
other
Mg1Ti3O6
10
5
177.75
mp-686042
13.608416
5.048095
-2.480156
other
Zn12B6O21
39
5
527.92
mp-1215570
-6.383999
-4.483459
3.046548
other
Zr3Sn4Sb2
9
5
204.97
mp-1227518
9.516012
7.462034
-5.416673
other
Bi3P3O14
20
5
281.39
mp-772739
5.246389
12.06064
-2.503967
other
Fe6Co3O18
27
5
261.12
mp-850936
9.508821
0.935065
-0.364557
other
Ni6O1F11
18
5
205.62
mp-1046563
11.855587
10.472249
-2.498753
other
Te6Mo10O36
52
5
806.12
mp-551561
8.545603
4.079815
-6.768248
other
K4C1O4
9
5
158.01
mp-766243
11.800461
9.192409
2.564859
other
Y8Zr8O24
40
5
571.36
mp-1280939
11.913299
12.326662
0.272955
other
Li2Cr4O6
12
5
118.14
mp-757621
11.135082
0.251929
1.682797
other
Mn6O1F11
18
5
241.04
mp-676937
11.104364
11.422675
2.710565
other
Ta8Pb6O25
39
5
588.76
mp-1244659
13.71066
8.958247
-7.18917
other
V4P6O22
32
5
413.33
mp-626843
10.71137
5.071224
-3.860368
other
Ni1H2O2
5
5
65.81
mp-991343
7.768236
5.276323
-1.749733
other
Sr6Rh5O15
26
5
313.42
mp-774155
5.604977
11.96481
-1.786941
other
Li8Fe4O12
24
5
215.48
mp-1217411
-4.237998
-3.924996
0.734076
other
Th3U3P8
14
5
299.54
mp-685478
7.280702
11.558399
-1.008751
other
Na32Pd16O48
96
5
1,053.28
mp-675750
-6.016651
-3.414576
-2.199136
other
Ca2Ga12Te20
34
5
1,125.01
mp-755582
10.307835
0.989212
1.628923
other
Li4Mn2F8
14
5
159.43
mp-555790
7.905411
3.53631
-5.866117
other
Tl4C6O8
18
5
326.01
mp-756126
11.462256
12.619343
-3.461797
other
Mn1V5O12
18
5
260.62
mp-1273579
5.596251
11.176309
-1.744236
other
Na8Fe4O12
24
5
253.42
mp-1227609
10.708815
6.769715
-5.602249
other
Bi3P3O14
20
5
287.68
mp-13274
9.15547
3.819057
-7.52156
other
Na4C1O4
9
5
118.83
mp-1219725
10.276432
9.506576
-1.224628
other
Sb8Cl2O15
25
5
517.53
mp-776498
8.788396
15.489669
-1.520719
other
Mn8O12F4
24
5
254.69
mp-690522
2.157603
2.675229
-4.395474
other
Mo2Cl4O1
7
5
191.02
mp-27032
10.22015
8.320547
-7.083733
other
Mn1P2O7
10
5
109.47
mp-777454
11.631112
12.57489
-3.343732
other
V5Fe1O12
18
5
256.24
mp-1233503
14.053638
6.680059
-0.58336
other
Mg1Si6O12
19
5
270.58
mp-1190003
7.886838
7.307921
-3.976801
other
Rb3Se3O12
18
5
351.79
mp-672200
4.642374
2.252692
-3.056312
other
Rb8C16N24
48
5
925.37
mp-1019509
10.680687
5.068548
-5.856089
other
B2S2O9
13
5
140.75
mp-757197
10.027096
8.444228
3.166639
other
Dy4Y12O24
40
5
596.14
mp-27236
8.243974
2.235009
-0.884153
original
Sb2I2F11
15
5
268.8
mp-1178314
13.318315
0.478137
1.409374
other
Fe6O5F7
18
5
212.17
mp-755517
15.134312
12.466277
-0.775869
other
V6O7F5
18
5
204.62
mp-1229103
-2.568827
-0.39309
-5.340729
other
Al1P2S6
9
5
213.36
mp-625475
10.066158
4.799006
-5.366768
other
H4S2O8
14
5
152.22
mp-1301792
8.409372
13.852979
-0.980081
other
Li8Cr4O12
24
5
212.14
mp-699179
8.578072
15.069078
-0.866282
other
Li7Mn17O32
56
5
607.25
mp-1276259
6.366119
13.69959
-2.165079
other
Na1Co3O6
10
5
122.73
mp-2219488
-5.332506
-0.06964
-5.681447
other
Mg1Cr4S8
13
5
302.86
mp-680615
-8.364492
-5.458735
3.375944
other
Sm4In21Pd10
35
5
759.8
mp-757607
10.812564
11.19639
-2.907732
other
Na1W10O30
41
5
580.09
mp-761186
11.566358
3.002197
1.243894
other
V6O3F15
24
5
282.2
mp-766296
7.618073
11.910345
2.122724
other
La11Mn12O36
59
5
725.31
mp-755187
13.340954
0.456314
1.444565
other
Fe6O5F7
18
5
211.29
mp-1025567
1.459075
2.309742
-4.294676
other
Nb2Cl4O2
8
5
172.51
mp-755939
7.139715
12.255433
-1.122763
other
Li9Co2O8
19
5
194.18
mp-752440
10.29405
1.324608
-1.728326
other
Co6O5F7
18
5
198.79
mp-676979
10.899356
11.646309
2.073654
other
Mg16Ti8O32
56
5
617.36
mp-2217120
12.207143
11.176877
1.965655
other
Mg1Ti3O6
10
5
177.8
mp-781077
5.435992
12.250925
-2.462476
other
Fe10O14F6
30
5
331.75
mp-2228416
11.173177
12.545572
-3.52778
other
Mg1V5O12
18
5
254.81
mp-756388
6.04439
13.100183
-1.530675
other
Li7Ni5O12
24
5
202.93
mp-675118
10.096726
8.680118
3.204425
other
Y2Th8O19
29
5
437.44
mp-764746
13.055775
12.377868
-0.323284
other
Li5V7O12
24
5
227.13
mp-756862
6.319039
12.700521
-1.259335
other
Li7Fe5O12
24
5
205.26
mp-760199
7.563791
11.92657
2.080422
other
La9Mn10O30
49
5
603.71
mp-1097888
11.070228
10.278913
1.263062
other
La2Fe2O5
9
5
125.29
mp-5966
9.980973
9.090158
-0.056858
other
Cd4Sn2O8
14
55
179.32
mp-998434
8.224912
0.704787
0.961331
other
Rb8Tl8F24
40
55
826.43
mp-5696
8.124581
9.919501
2.040555
other
La4Cu4O10
18
55
227.05
mp-1210100
-8.252131
-6.202379
5.592921
other
Nd10In8Pt4
22
55
582.79
mp-1212116
-3.898457
1.696177
3.0194
other
Ho4B16Rh4
24
55
242.35
mp-1213778
-4.091965
1.714497
3.022219
other
Ce4Mn4B16
24
55
245.34
mp-21444
7.526738
12.668431
0.871465
other
La4Mn8O20
32
55
398.39
mp-556234
9.67947
9.826005
-0.994089
other
Rb12Sb20O56
88
55
1,309.63
mp-1104241
3.392743
-0.616158
-2.423774
other
Li4Mg2H8
14
55
133.94
mp-21594
-5.32056
-5.856797
0.676794
other
Ca18Zn8Sb18
44
55
1,237.7
mp-1366467
6.718422
12.258269
-1.319754
other
Zn4Ni4O10
18
55
199.41
mp-752537
9.892442
9.360331
3.692271
other
Sr4Hf2O8
14
55
211.85
mp-1202416
-7.411729
-5.001599
3.6167
other
Dy12Mn12Sn24
48
55
1,083.68
mp-649033
-5.346026
-5.934455
0.671927
other
Sr10In4Sb12
26
55
898.52
mp-1192291
-4.05074
1.656431
3.077181
other
Gd4B16Ru4
24
55
247.75
mp-1191805
-4.124067
1.654483
3.093192
other
Pr4Mn4B16
24
55
249.21