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-1216682
9.426519
12.04206
-1.005303
other
Ti1Ni4Ge1O8
14
216
146.38
mp-2232506
-4.917419
-0.951899
-5.155153
other
Mg1Zn2Fe4S8
15
216
276.04
mp-1236197
11.414612
12.264434
0.023072
other
Li1Cr4Hg2O8
15
216
192.89
mp-1227207
3.162571
-0.759499
-2.154405
other
Ca1Eu1H6Ru1
9
216
100.89
mp-2232667
12.091907
10.728339
-0.970745
other
Na4Mg1W2O8
15
216
203.11
mp-1214329
11.172237
10.987499
0.466964
other
Ba1Lu1Fe4O7
13
216
181.58
mp-1008530
-7.125794
-0.547068
3.596505
other
Al1V1Fe1Co1
4
216
47.05
mp-1225017
-4.813141
-1.214799
-5.703696
other
Fe1Cu6Ge1S8
16
216
288.02
mp-998973
-6.930529
-1.181152
3.022812
other
Ti1Fe1Co1Sb1
4
216
56.16
mp-1226304
-5.473545
-1.852431
-3.923127
other
Cr4Ga1Cu1Se8
14
216
294.55
mp-1212967
-8.545547
-6.185162
6.230434
other
Er16In4Ir4O1
25
216
616.07
mp-2232275
7.65221
12.235931
-1.366271
other
Mg1Co2Ni4O8
15
216
170.64
mp-1226224
11.175931
13.179752
-0.312666
other
Cr4Cd1Cu1O8
14
216
160.8
mp-1228960
-5.574592
-0.32249
-5.915524
other
Al1Cr4Cu1S8
14
216
248.55
mp-1066862
-6.982681
-1.003815
2.936867
other
V1Fe1Co1Sb1
4
216
54.12
mp-1215995
-8.839103
-6.01267
3.102511
other
Y1In1Pd1Au1
4
216
82.75
mp-1236709
10.173669
9.037045
0.097572
other
Li1In4Hg2O8
15
216
229.64
mp-1215158
7.071422
6.811906
-4.041474
other
Al12Ga1S4O66
83
216
941.25
mp-2232976
-5.063514
-0.950427
-4.396127
other
Mg1Cu2Rh4S8
15
216
277.19
mp-1228999
-5.549706
-0.289784
-5.926935
other
Al1Cr4Ag1S8
14
216
259.65
mp-1225147
-5.201606
-1.048654
-4.053174
other
Fe4Ni4Pd1S8
17
216
255.39
mp-17568
-3.35405
-3.811312
0.340415
other
Ag6Sn4Ge6P12
28
217
599.97
mp-1210204
9.134193
7.841182
-2.33421
other
Na4Al6Cl1O12
23
217
394.82
mp-19259
12.357852
7.251257
0.671395
other
Sr4Al6W1O16
27
217
430.38
mp-1105117
10.580773
9.783287
-1.120079
other
Ni6Sb8O12F12
38
217
552.17
mp-6137
3.511693
2.618102
0.903131
other
Mg4P6S1N12
23
217
290.46
mp-1232328
10.605968
9.549443
-0.774166
other
Cu3Sb4O6F6
19
217
272.23
mp-8877
12.376398
7.195251
1.051544
other
Sr4Al6S1O12
23
217
408.35
mp-1234592
10.734538
9.275418
0.650397
other
Dy6Mg1Sb10O24
41
217
662.54
mp-1227764
12.560131
6.883654
0.504708
other
Ca4Al6S1O16
27
217
410.41
mp-8921
3.646541
2.69002
0.766947
other
Cd4P6S1N12
23
217
313.43
mp-1147541
11.744733
7.91054
-3.037345
other
Cu3As4O6F6
19
217
262.15
mp-1105290
10.925052
9.128808
-1.091296
other
Co6Sb8O12F12
38
217
574.42
mp-14161
12.449396
6.946796
0.68208
other
Sr4Al6S1O16
27
217
418.13
mp-19145
12.410968
7.262233
0.550495
other
Ca4Al6W1O16
27
217
423.32
mp-653838
-7.163343
0.433745
3.964908
other
Zr4Fe48Si8B4
64
217
752.68
mp-14921
13.933919
4.650232
-2.318543
other
Zn4B6Se1O12
23
217
233.3
mp-14150
12.505051
6.911052
0.490585
other
Ca4Al6S1O16
27
217
386.28
mp-1234711
10.644999
9.282393
0.709524
other
Sm6Mg1Sb10O24
41
217
694.18
mp-9392
12.217527
7.449772
1.308253
other
Sr4Al6Te1O12
23
217
424.59
mp-9203
12.288616
7.484784
0.891561
other
Al6Cd4S1O12
23
217
357.97
mp-9535
12.357538
7.618675
0.803372
other
Al6Cd4Te1O12
23
217
374.1
mp-629476
5.64565
3.309218
-4.73256
other
Ru4C12Se4O12
32
217
566.54
mp-557537
3.642882
2.858831
0.752994
other
Zn4P6N12O1
23
217
265.61
mp-15312
12.265743
7.512921
1.132625
other
Ca4Al6Te1O12
23
217
393.83
mp-1208447
12.351465
7.246464
1.073911
other
Sr4Al6Se1O12
23
217
414.53
mp-18310
-3.100566
-3.793003
0.574788
other
Si6Ag6Sn4P12
28
217
574.51
mp-8876
12.396624
7.332652
0.982783
other
Ca4Al6S1O12
23
217
376.37
mp-15833
3.602429
2.710195
0.850616
other
Zn4P6S1N12
23
217
280.47
mp-1019788
13.015676
6.1033
-0.342679
other
K8Al6Si6O24
44
218
820.07
mp-542090
13.046975
6.203255
-0.315605
other
Na8Al6Si6O24
44
218
717.43
mp-1202812
-4.60179
-1.248767
-5.579307
other
V2Cu26As6S32
66
218
1,198.3
mp-1201105
9.07774
7.35368
-3.573051
other
Na8Ga6Ge6O32
52
218
793.24
mp-2228637
11.980915
11.005627
-2.015971
other
Na4Mg1Mo2O8
15
22
214.29
mp-780881
9.216482
14.184381
-0.765146
other
Li4Mn3Cr3O12
22
22
214.91
mp-754972
12.257513
0.521865
0.911014
other
Li1Fe5O4F8
18
22
225.94
mp-849429
10.397199
0.646526
0.626745
other
Li6Co4O2F10
22
22
224.07
mp-1177431
5.88009
12.674038
-1.564752
other
Li4Fe3Ni3O12
22
22
213.08
mp-753529
10.380901
1.223437
1.589136
other
Li6Mn4O2F10
22
22
244.65
mp-850905
8.62102
13.91209
-0.872705
other
Li4Cr3Fe3O12
22
22
217.62
mp-1225859
10.846093
9.404456
2.464702
other
Cs2Ti4O6F6
18
22
281.5
mp-554048
6.436673
5.14533
-4.54283
other
Na2Ag2N4O8
16
22
247.58
mp-756260
10.446148
1.990786
2.154233
other
Li6Fe4O2F10
22
22
234.18
mp-2227025
10.111157
10.832322
0.689702
other
Na1Mg1Co1O2
5
22
79.8
mp-859785
10.233296
0.556738
0.461869
other
Li6Ni4O2F10
22
22
216.69
mp-23581
14.330903
5.296571
-2.240952
other
Cr6B14Br2O26
48
219
464.6
mp-1212713
14.219084
5.243595
-2.147458
other
Fe6B14Br2O26
48
219
463.12
mp-560038
14.509424
5.241965
-2.10845
other
Mn6B14I2O26
48
219
481.76
mp-561520
14.324992
5.307697
-2.252906
other
Cr6B14Cl2O26
48
219
461.83
mp-1210659
13.933172
4.388414
-2.312351
other
Mg6B14Br2O26
48
219
453.2
mp-554391
14.330274
5.526782
-1.993016
other
Fe6B14I2O26
48
219
469.95
mp-651682
13.555062
4.532159
-2.390337
other
Cu6B14I2O26
48
219
447.24
mp-1213769
14.3283
5.242202
-2.284327
other
Cr6B14O26F2
48
219
455.8
mp-558442
14.387098
5.468167
-2.105556
other
Cr6B14I2O26
48
219
469.89
mp-562267
5.644156
3.364242
-4.629411
other
Co8Sn2C32O32
74
219
1,372.12
mp-23628
13.474005
4.869188
-2.448532
other
Co6B14I2O26
48
219
460.02
mp-555775
14.469636
5.108769
-2.173764
other
Mn6B14Br2O26
48
219
476.53
mp-554590
13.567271
4.489709
-2.467274
other
Cu6B14Br2O26
48
219
440.65
mp-652856
4.058937
2.200763
-3.013091
other
Tl32Zn16C64N64
176
219
3,995.03
mp-504714
13.496895
4.583558
-2.592945
other
Ni6B14I2O26
48
219
449.25
mp-1207487
13.83604
4.587062
-2.364978
other
Zn6B14I2O26
48
219
457.74
mp-23617
13.948192
4.417372
-2.318304
other
Mg6B14Cl2O26
48
219
434.97
mp-560174
13.019666
6.214808
-6.580396
other
Na8Zn8P24O72
112
220
1,601.54
mp-585476
1.569579
2.786265
-6.14093
other
Cs14Np6Cl24O12
56
220
1,817.97
mp-560328
-3.059026
-0.850589
-5.616032
other
Ag30P8S32Cl6
76
220
1,709.59
mp-733600
7.901506
0.37905
-4.54405
other
Sb6H72C24I16
118
220
1,884.25
mp-1212663
10.616462
4.1651
-7.266724
other
Na44S20Cl6O80
150
220
2,120.98
mp-1209384
11.615779
10.964449
-3.457749
other
Rb6Zn6Mo8O32
52
220
907.61
mp-1196740
8.802544
1.357789
-3.939149
other
Cs6H24N8F6
44
220
576.54
mp-1203903
12.493835
6.114445
-6.673396
other
Cs8Sr6P24O72
110
220
1,958.36
mp-1227714
8.671037
12.369329
-0.981069
other
Ca12V6Fe14O48
80
220
1,006.41
mp-1210393
12.755959
7.242563
-7.066014
other
Na8Co8P24O72
112
220
1,613.16
mp-14760
11.939293
7.583308
0.78956
other
Lu4Al12Pb8O32
56
224
853.13
mp-560115
10.468858
10.57929
-3.786949
other
Rb6Mo24P2O80
112
224
1,742.55
mp-21706
11.834392
7.610351
0.784525
other
Gd4Al12Pb8O32
56
224
878.76
mp-554269
11.109653
11.144712
-2.706733
other
K6P2W24O80
112
224
1,726.35
mp-734925
6.307239
5.078804
-4.507514
other
Ba6Co4N24O48
82
224
1,300.32
mp-1188235
-7.234467
-0.886369
3.397207
other
Mn2V4Ga4Co6
16
224
189.76
mp-21567
11.868191
7.602051
0.806987
other
Sm4Al12Pb8O32
56
224
884.51
mp-560580
10.469336
10.572727
-3.777206
other
K6Mo24P2O80
112
224
1,556.63