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-1195308
8.182038
7.280717
-4.25043
other
Th6Se6O32
44
87
704.05
mp-570324
-0.590586
1.27375
-4.381997
other
Rb2Te1Br6
9
87
320.74
mp-1048601
12.928501
10.607987
-0.067645
other
Zn1W4O8
13
87
190.42
mp-774428
12.435035
13.422802
-1.492171
other
K6V28O56
90
87
1,073.03
mp-676274
-4.475634
-3.066417
-4.031217
other
Tl9Sb1Se6
16
87
477.84
mp-1237867
10.412573
6.312969
-4.23255
other
Fe4H4O8
16
87
171.04
mp-1101209
12.609353
12.99227
-1.204782
other
V20Bi4O40
64
87
764.05
mp-1208697
9.252973
0.552093
0.286002
other
Sr10Co6F38
54
87
779.73
mp-560547
9.486279
1.963246
2.019269
other
K2Cr2F6
10
87
143.94
mp-27539
10.898088
10.022223
1.640031
other
La4Re2O10
16
87
241.3
mp-1223306
-5.966578
-4.048451
-2.02368
other
La1Tl9Te6
16
87
550.35
mp-1209439
10.99843
11.279156
2.966021
other
Rb8Ta6O19
33
87
641.34
mp-765472
11.351433
12.283248
2.095701
other
K2Ti12O24
38
87
461.09
mp-677318
7.731415
12.668926
-0.975156
other
Li1Ni4O5
10
87
90.35
mp-1210552
-3.951578
0.181309
-4.751753
other
Mo2S4N1
7
87
202.13
mp-1225401
5.291578
11.130078
-2.380829
other
Fe12Cl2O24
38
87
475.01
mp-13967
-5.392224
-2.515527
4.176125
other
Nb5Cu4Si4
13
87
187.14
mp-1103777
8.198503
11.375958
-0.814723
other
K1Ir4O8
13
87
163.51
mp-541771
-6.292239
-4.775064
-0.019886
other
Bi8Ru2I4
14
87
513.04
mp-558827
12.906045
11.064006
-0.779196
other
Nd2Mo12O24
38
87
444.01
mp-35663
-6.090849
-3.589795
-1.955186
other
Sr1In2Te4
7
87
281.46
mp-754019
11.145431
8.762025
1.622572
other
Na4Np1O5
10
87
127.29
mp-1207383
-5.181404
-3.380028
4.598769
other
Zr5Zn4Si4
13
87
225.6
mp-757677
11.731529
11.279757
-2.03625
other
K9W20O60
89
87
1,198.53
mp-1106203
-5.919616
-4.075048
-2.001597
other
Ce1Tl9Te6
16
87
562.58
mp-32536
1.608177
2.268935
-3.948992
other
W1Br4O1
6
87
194.16
mp-27782
8.126148
2.264047
-1.049257
other
Xe2I2F14
18
87
308.66
mp-1222581
8.315124
13.417837
-1.074168
other
Li1Co4O5
10
87
94.41
mp-1216882
-3.274056
-3.587966
-2.754214
other
U5Si1S4
10
87
210.1
mp-727776
8.348958
1.200219
1.383662
other
Th6O1F24
31
87
517.45
mp-14786
-5.37562
-4.162023
0.56149
other
Ba1Cu8As4
13
87
214.23
mp-752773
10.05064
0.801547
1.497986
other
Li4Cu1F5
10
87
93.5
mp-1229268
12.550269
10.597194
0.200466
other
Ca33Mo27O80
140
87
1,928.26
mp-29788
8.134421
1.417243
0.319535
other
K1Tb3F12
16
87
252.11
mp-10430
-5.608805
-1.507877
2.203379
other
Nb5Ni4P4
13
87
174.51
mp-1046296
12.441656
10.408028
0.601735
other
Ca4V4O8
16
87
211.38
mp-753853
11.595342
8.707313
2.045044
other
U4Bi1O10
15
87
201.59
mp-1106215
10.55948
11.250379
2.070268
other
Ti4Pb4O12
20
87
294.2
mp-1180534
-7.045479
-7.427101
1.698684
other
Mg1Hg22N6
29
87
701.47
mp-1220212
-8.232359
-1.952794
2.735462
other
Pr3Ni36Ge16
55
89
770.5
mp-1215969
-7.833317
-6.27207
3.391051
other
Yb20Cd3Au9
32
89
902.44
mp-1227579
-5.636699
-7.13955
3.857867
other
Ca20Cd3Ga9
32
89
964.84
mp-1216699
-4.662968
-2.865596
-4.005077
other
Tl3In5Se8
16
89
474.77
mp-1208173
12.24658
10.349094
0.749382
other
V4Pb4O8
16
88
258.17
mp-1201999
-0.21833
0.642855
-3.163045
other
Y40Ir8Br72
120
88
3,865.57
mp-1095337
10.776581
12.323445
-3.618479
other
Sm2V2O8
12
88
148.43
mp-3700
8.700466
1.204575
1.721843
other
Li2Y2F8
12
88
141.88
mp-557564
11.616695
10.15541
2.757729
other
Ce2Nb2O8
12
88
166.48
mp-15053
7.849208
10.751806
-0.521122
other
Y2Pd4O8
14
88
165.2
mp-1209265
7.26389
5.7525
-3.231655
other
Rb4I4O8
16
88
476.25
mp-9421
7.415789
10.400945
0.306504
other
Ho2Cu4O8
14
88
149.86
mp-754964
10.735832
9.899343
3.995093
other
Hf2Zr2O8
12
88
136.42
mp-19055
8.335328
10.803393
-2.989003
other
Ho2Cr2O8
12
88
138.67
mp-975115
8.317803
9.376813
-3.547593
other
Rb2Tc2O8
12
88
222.2
mp-1095216
11.974715
7.160303
-3.896369
other
Nd2As2O8
12
88
152.6
mp-1212018
8.761727
1.826257
-0.68969
other
K4H8F12
24
88
485.12
mp-761149
10.174416
0.361818
-0.314579
other
Li8Mn8F40
56
88
677.7
mp-1100381
-3.409019
-1.641577
-5.697696
other
Ca16Sn16S48
80
88
2,042.7
mp-1197952
-0.284243
0.53021
-3.207414
other
Tb40Ir8Br72
120
88
3,950.36
mp-1213539
-3.292426
-3.856698
0.81808
other
Cu8Si4P16
28
88
447.36
mp-555657
8.295555
10.610723
-3.161985
other
Y2Cr2O8
12
88
146.56
mp-680356
6.193119
5.158172
-4.437333
other
Zr8N48O136
192
88
2,614.96
mp-995226
8.993447
2.116475
-4.58324
other
H16C8O8
32
88
301.12
mp-1101476
7.269022
10.340268
0.414719
other
Pr2Cu4O8
14
88
164.49
mp-5558
10.02643
10.68506
-3.109091
other
Na2Re2O8
12
88
164.11
mp-1405822
9.964937
11.761495
0.348646
other
Y2Fe4O8
14
88
166.75
mp-554549
11.868317
7.362518
-0.546599
other
Ca16Ge16O48
80
88
969.45
mp-23562
7.452275
7.020628
-3.335041
other
K2I2O8
12
88
204.52
mp-15186
7.48562
10.334338
0.269591
other
Er2Cu4O8
14
88
148.73
mp-19048
11.518252
10.964587
-2.132897
other
Ba2W2O8
12
88
204.53
mp-1095339
10.99625
10.647071
2.86434
other
Dy2Nb2O8
12
88
133.31
mp-23450
7.44639
6.989571
-3.323636
other
Rb2I2O8
12
88
226.45
mp-22410
11.335773
10.903551
-2.288639
other
Pb2W2O8
12
88
189.9
mp-754109
11.945056
7.144114
-3.920713
other
Pr2As2O8
12
88
155.59
mp-758890
8.725076
0.97065
-0.200579
other
Li2Ag4F8
14
88
206.97
mp-9298
7.535906
10.14127
-1.23875
other
Sr2Au4O8
14
88
197.35
mp-9417
7.343335
10.441648
0.3161
other
Sm2Cu4O8
14
88
158.27
mp-776770
9.404706
0.905295
-0.401024
other
Li8Fe8F40
56
88
699.11
mp-7094
9.859188
10.556726
-3.150103
other
Re2Ag2O8
12
88
166.32
mp-1204444
8.873285
1.43651
1.40661
other
Ba40Cr24F144
208
88
3,435.17
mp-755936
12.148464
10.907968
-0.789977
other
Lu2W2O8
12
88
145.34
mp-1409276
12.573084
10.080024
1.974806
other
Y2Ti4O8
14
88
169.43
mp-18880
10.629458
12.457758
-3.709735
other
Er2V2O8
12
88
136.95
mp-1095453
11.630877
7.708995
-1.129143
other
Ti2Si2O8
12
88
109.09
mp-19330
11.361431
11.106932
-3.789052
other
Ca2Mo2O8
12
88
155.61
mp-9420
7.426869
10.457697
0.267875
other
Dy2Cu4O8
14
88
151.13
mp-13530
11.959455
7.076702
-4.018303
other
Sm2As2O8
12
88
146.65
mp-754220
7.452833
10.443737
0.293491
other
Tm2Cu4O8
14
88
147.26
mp-559598
8.885236
1.202859
1.850786
other
Li2Sc2F8
12
88
130.2
mp-27403
9.10849
2.22944
1.955837
other
Li8U8F40
56
88
712.21
mp-1102526
10.515059
12.298147
-3.594081
other
Y2V2O8
12
88
147.5
mp-15051
7.786055
10.656672
-0.533369
other
Nd2Pd4O8
14
88
175.61
mp-9756
11.727461
7.415592
0.356176
other
Th2Ge2O8
12
88
152.22
mp-1047251
7.156557
10.808696
-0.952011
other
Zn2Cu4O8
14
88
150.68
mp-23034
1.235133
1.951246
-5.3416
other
Sr2Zn2Cl8
12
88
305.06
mp-567499
1.615788
2.545102
-5.607172
other
Cs2Mn8Cl18
28
88
708.49
mp-505357
-2.445049
0.983819
-3.820478
other
In16Se16I16
48
88
1,946.1
mp-1047244
6.979754
9.628649
-1.623771
other
Mg2Ag4O8
14
88
178.78
mp-759592
13.284527
0.419551
0.805855
other
Fe8O8F8
24
88
269.61
mp-15050
7.834259
10.59151
-0.538534
other
Pr2Pd4O8
14
88
178.23