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-1203585
7.029055
7.068212
-3.809556
other
Na6V2I2O26
36
2
538.49
mp-648164
5.861326
3.397171
-4.723921
other
Mn2Hg1C10O10
23
2
383.24
mp-543056
11.888642
6.947274
-4.37017
other
Mg7As6H4O24
41
2
507.14
mp-1102641
5.139493
3.92123
-4.122125
other
Pd1C2N4O4
11
2
243.07
mp-757844
13.270985
6.82481
-7.10273
other
Li10Sn2P8O28
48
2
546.09
mp-25468
8.229919
8.121823
-4.468558
other
Ni2P2O8F2
14
2
174.54
mp-673145
11.385784
7.556463
-6.890254
other
Li2Cu8P6O24
40
2
472.41
mp-18659
12.555836
7.323597
-6.944181
other
Sr2Co4P4O16
26
2
367.98
mp-558979
3.999233
2.807157
-4.059399
other
V2S4N6Cl4
16
2
340.08
mp-1174886
3.993894
23.098179
-1.241374
other
Li7Mn2Co3O12
24
2
214.09
mp-1201409
8.578155
7.778282
-4.643275
other
Cu2P12Pd22O68
104
2
4,149.73
mp-2219451
6.361078
13.361338
-2.073767
other
Mg1Co3Ni1O8
13
2
138.28
mp-758714
6.153528
13.235137
-1.542657
other
Li2Mn1Ni3O8
14
2
138.16
mp-1175563
3.772254
23.167458
-1.382253
other
Li9Mn2Co5O16
32
2
284.92
mp-757902
12.844088
7.571562
-7.304731
other
Li4Co4P4O16
28
2
349.42
mp-757429
13.81075
7.601973
-0.858032
other
Li4Fe4Si8O22
38
2
434.19
mp-782720
12.325841
13.67201
-1.335095
other
Li1Ti1V3O8
13
2
155.75
mp-1267366
8.875604
8.188304
-3.18626
other
Mg2Co2Si2O10
16
2
172.87
mp-1175530
4.26435
22.317545
-1.302693
other
Li9Mn2Co5O16
32
2
282.36
mp-554605
1.393148
2.259054
-5.362431
other
Rb6Sb3Cl9F6
24
2
669.71
mp-1194570
9.893476
4.709666
-6.59129
other
Tl4Bi4S8O32
48
2
734.39
mp-1209688
7.108444
3.288716
-4.970038
other
Rb2C8N6O8
24
2
380.89
mp-1175912
3.85258
23.137327
-1.342701
other
Li9Mn2Co5O16
32
2
290.2
mp-556254
9.489528
5.05285
-6.350957
other
K16Pt8S20O80
124
2
1,952.46
mp-1173920
6.385234
19.329466
-0.735432
other
Li4Mn2Co2O8
16
2
149.67
mp-1174432
3.911787
23.098259
-1.305381
other
Li8Mn2Co4O14
28
2
251.78
mp-1658552
8.860748
7.772031
-5.16197
other
Sr2Ni2P4O16
24
2
318.37
mp-1196378
10.394467
4.169587
-4.446819
other
V2H24S2O22
50
2
470
mp-2228654
9.660857
5.113378
-7.083532
other
Mg1Fe2S2O10
15
2
179.35
mp-1276282
7.345306
14.552319
-1.347492
other
Li8Al4Co4O16
32
2
272.93
mp-540199
8.389054
7.90625
-4.487903
other
Li2Ni4P6O24
36
2
455.41
mp-727831
-3.443469
-1.484558
-5.24355
other
K4Sb8S14O2
28
2
788.71
mp-707543
8.271069
3.260196
-4.712142
other
H24C4N24O16
68
2
692.78
mp-769635
12.156398
13.258451
-0.259989
other
Li6V3Cr3O12
24
2
225.94
mp-555289
14.717963
8.174418
-4.381331
other
Ti4Cr3P6O24
37
2
440.76
mp-1173902
6.222696
19.554674
-0.762635
other
Li2Mn1Co1O4
8
2
75.25
mp-1272911
13.354359
12.684293
-0.467575
other
Li8V4O8F4
24
2
223.28
mp-1188700
11.69673
5.950635
-4.525628
other
In2As2H4O10
18
2
206.75
mp-560387
13.20192
5.460238
-6.204651
other
Cs2Al2P2O9
15
2
261.65
mp-1174006
5.208283
21.209435
-0.879235
other
Li10Mn4Co2O16
32
2
279.69
mp-2240954
-1.614451
0.735476
-4.312935
other
Mg1Nb2S4Br4
11
2
333.16
mp-1409490
7.470706
5.083205
-1.671694
other
Li3Mn2Ni2O8
15
2
142.27
mp-1174486
3.580711
23.237682
-1.388362
other
Li8Mn2Co4O14
28
2
255.41
mp-1216205
7.773875
11.790877
1.92858
other
Y4Mn3Ni1O12
20
2
230.64
mp-1195390
8.016835
1.800003
-4.528624
other
H26Pd5C22O16
69
2
908.81
mp-756533
9.171554
12.678658
-0.635655
other
Li4Cu3W1O8
16
2
151.07
mp-1047241
12.450392
10.669785
0.228407
other
Ca2Mo1W1O6
10
2
129.45
mp-1190148
11.411632
11.103901
-3.827017
other
K2Gd2Mo4O16
24
2
363.37
mp-1292604
8.183979
13.304706
-0.733458
other
Li6Ni4Sn2O12
24
2
233.42
mp-560757
10.531714
10.708049
-3.36686
other
Ni6Mo4Se2O22
34
2
417.56
mp-505194
11.367735
11.324359
-2.064354
other
Gd2Cu2W4O16
24
2
315.32
mp-2225911
9.662872
13.250196
0.373311
other
K1Mg1Mn2O4
8
2
95.72
mp-1233949
12.737896
6.876383
-1.287721
other
Mg1Mn4Si8O22
35
2
435.41
mp-1174418
3.861222
23.172729
-1.299129
other
Li8Mn2Co4O14
28
2
252.07
mp-601616
10.272391
4.612287
-5.312289
other
Mn10H16S2O24
52
2
577.68
mp-2227319
9.934408
10.569998
-1.672946
other
Mg1Cu2Te2O8
13
2
178.97
mp-758170
11.814043
7.385156
-7.240215
other
Li4Cu4P4O16
28
2
333.7
mp-1228177
13.241444
6.21625
-0.629366
other
Al2Tl2Si6O16
26
2
388.07
mp-505812
12.628822
7.591964
-6.58252
other
Co6Ag4P8O28
46
2
547.63
mp-1286142
14.665862
7.737791
-5.117042
other
Ba2Fe4P4O16
26
2
338.08
mp-755858
6.702908
15.270156
-1.200402
other
Li5Fe2Co3O10
20
2
184.65
mp-1197101
11.170196
4.463478
-4.599767
other
V4P4H36O36
80
2
722.04
mp-2230912
5.942955
12.338295
-1.941254
other
Mg1Fe6O10F2
19
2
216.3
mp-757411
13.081573
7.497471
-7.32105
other
Li8Co4P8O28
48
2
538.39
mp-867666
6.420186
13.548354
-1.375739
other
Li6Co1Ni5O12
24
2
213.99
mp-768515
12.310382
7.962394
-8.228452
other
Li6Mn12P12O48
78
2
895.11
mp-1192413
10.347966
9.240102
-2.023639
other
Cs2In2Te6O16
26
2
498.28
mp-1343791
7.960958
3.013587
-1.509305
other
Be2Cu2O10F8
22
2
325.58
mp-2230578
10.640797
14.270601
-0.996131
other
Mg1Mn6O8F4
19
2
217.77
mp-1355442
8.957735
11.204182
-3.918128
other
Mg1V6Fe4O24
35
2
492.57
mp-22551
12.543509
6.378767
-5.897745
other
U2P4Pb4O20
30
2
482.07
mp-1978268
4.03803
23.049938
-1.239563
other
Li14Mn4Co6O24
48
2
428.41
mp-552307
10.734471
11.82673
-1.883997
other
Li4Co2W4O16
26
2
286.01
mp-1310345
6.155604
13.49121
-2.161849
other
Li2Co6Ni2O16
26
2
282.24
mp-1175518
4.113455
22.625189
-1.31622
other
Li9Mn2Co5O16
32
2
281.67
mp-26305
14.571031
7.693683
-6.033805
other
Li2Cr3P4O14
23
2
274.56
mp-680189
-0.60468
0.814445
-2.245157
other
Y42B14C28I36
120
2
3,102.08
mp-554370
2.244285
2.711127
-4.335343
other
Ti2S2Cl12O2
18
2
521.14
mp-780665
13.428941
5.49529
-2.968371
other
Li2Mn6B6O18
32
2
364.6
mp-558765
10.576448
11.826577
-1.901028
other
Li4Ni2W4O16
26
2
282.44
mp-1199238
-4.185454
-1.439809
-2.667671
other
In2Te28Ir4Br32
66
2
2,440.35
mp-648167
4.09516
2.772208
-3.758907
other
Fe3C8Br16N8
35
2
908.47
mp-1174871
4.008879
23.102533
-1.241012
other
Li7Mn2Co3O12
24
2
215.39
mp-755409
7.386447
16.23175
-0.701911
other
Li10Mn4Cu6O20
40
2
368.85
mp-652229
5.711957
3.42182
-4.656776
other
Co8Ge2C26O26
62
2
1,041.17
mp-1368807
14.417422
8.178793
-3.693612
other
Mg2Ti2P4O14
22
2
253.46
mp-1286819
7.337178
10.834013
1.538116
other
La8Ga4Co4O24
40
2
487.5
mp-572271
12.915542
6.108166
-6.29377
other
Cs6P14Pb4O42
66
2
1,133.5
mp-1194642
8.831182
3.774878
-5.75985
other
Fe4H16C12O32
64
2
698.77
mp-1354568
7.287575
4.774361
-1.761438
other
Cu2C8N4O20
34
2
579.95
mp-1181383
9.639549
6.039149
-3.742385
other
K2Co1B12O30
45
2
619.08
mp-557784
10.882958
10.53322
1.589711
other
La4Nb4Te4O24
36
2
537.78
mp-772435
9.113011
12.374798
-0.637078
other
Li6Al4Fe2O12
24
2
242.22
mp-723031
5.643766
3.183267
-4.628376
other
H16Os12C40O36
104
2
1,568.87
mp-1043299
12.512797
11.033401
-0.839028
other
Mg1Cu3W4O12
20
2
229.73
mp-1228252
6.664283
8.467363
-0.499699
other
Ba4Ce2Bi1O12
19
2
343.74
mp-560658
11.382321
7.401837
-3.923813
other
Na10Bi4As10O36
60
2
897.99
mp-721727
10.554649
3.936337
-4.278847
other
Na2B2H16O14
34
2
302.12
mp-504864
11.259464
11.342867
-2.200662
other
Y1Cu1W2O8
12
2
164.27
mp-1174117
4.305021
22.700436
-1.127467
other
Li6Mn2Co2O10
20
2
177.89