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-850399
14.540967
8.297603
-5.895268
other
Li4V4P4H4O20
36
2
397.25
mp-753954
9.990824
2.969318
-3.896119
other
Cd1Cu1H8Cl4O4
18
2
238.04
mp-759862
10.019013
3.055715
-3.822472
other
Sr2Cd4H32Cl12O16
66
2
904.66
mp-1227190
12.0712
7.24851
-0.541039
other
Ca4Zr1Ti3Ge4O20
32
2
412.52
mp-1522345
11.233828
10.395023
1.176164
other
Ba2Nd2Eu2W2O12
20
2
313.79
mp-1214666
8.071779
2.464441
-2.009028
other
As2C4S6N2F16
30
2
481.09
mp-769465
9.398434
3.962278
-8.526557
other
Na10Mn4P4C4O28
50
2
629.62
mp-23792
12.759455
6.27591
-0.774401
other
Na2Ca4Si6H2O18
32
2
396.63
mp-746817
11.302251
5.281555
-5.162696
other
Na2V4P4H16O28
54
2
535.98
mp-1238545
10.701793
4.822979
-4.560526
other
Al2Fe1P2H18O18
41
2
394.76
mp-1224931
7.883624
0.336931
-4.552796
other
Ga2P2H22C6Cl2
34
2
475.63
mp-684951
1.915595
2.318279
-0.089118
other
Rb8Na2W4N10O2
26
2
730.34
mp-743548
5.857928
3.326116
-4.602908
other
K4Cr8H4C40O40
96
2
1,685.86
mp-1218914
9.2653
11.497853
1.052605
other
Sr10Mg5Mo2W3O30
50
2
643.8
mp-1403079
8.861259
4.872736
-3.758109
other
Ba2Ga2B8H6O20
38
2
427.64
mp-732039
9.725891
3.502285
-4.332799
other
Mo2H16N4O10F4
36
2
377.44
mp-1196858
12.118535
5.021815
-5.29956
other
Rb2Cu1P4H8O16
31
2
402.64
mp-1235872
14.472528
8.085358
-3.546837
other
Li1Ti2Zn2P2O10
17
2
201.81
mp-770607
13.40299
6.761251
-1.015602
other
Li6V2Si8H4O24
44
2
507.5
mp-1229190
14.332378
5.157368
-7.546692
other
Ba1Ca3Zr16P24O96
140
2
2,138.18
mp-1203371
8.274096
3.303601
-4.817468
other
Zn1H14C2N12O12
41
2
440.9
mp-1183016
-4.070271
-2.383069
-3.961441
other
Ag6As4C6Se10N2
28
2
824.97
mp-695996
8.353223
2.547816
-4.841025
other
Ba2H16C12N12O16
58
2
619.75
mp-1202280
8.463418
1.196156
-4.470503
other
Nb6H40C10Cl14O10
80
2
1,124.13
mp-2229207
11.31584
7.776529
-4.553207
other
Mg1Cu4As2Cl2O8
17
2
235.74
mp-1517143
9.698557
9.19212
2.056384
other
Ca2Nd2Eu2Sb2O12
20
2
289.82
mp-1217663
10.791739
3.317359
-4.49947
other
Te1P6H34N6O26
73
2
730.67
mp-1195234
11.820042
5.309112
-5.284359
other
K4P8H16Pt4O36
68
2
814.37
mp-1201252
12.893761
5.425931
-5.999695
other
Cs4Be8P8H4O32
56
2
712.63
mp-1195467
12.888197
4.259749
-2.902838
other
Li2Mg1B12H16O28
59
2
546.91
mp-1046434
14.736959
7.819917
-4.764202
other
Sr2Ca2V2P4O16
26
2
347.35
mp-780736
14.377245
7.881543
-6.770752
other
Li8V4P8H4O32
56
2
631.39
mp-1194519
11.09966
7.556724
-0.99854
other
K4Eu2U1Ge4O16
27
2
464.82
mp-1214401
11.866065
5.735699
-4.548318
original
Ca2Zn1As2H4O10
19
2
207.73
mp-1178695
8.394106
8.006804
-4.206763
other
Zn2P6C8N2O24
42
2
778.83
mp-1219915
11.440848
11.175554
-3.817215
other
Rb2Ti1Cr2Mo6O24
35
2
620.69
mp-1046249
12.611021
6.237918
-6.571616
other
Sr2Ca2Cu2P4O16
26
2
341.38
mp-1227877
10.506268
7.474627
-2.745672
other
Ca4Mn5Al1Si6O28
44
2
520.26
mp-25423
14.717241
8.881063
-6.318008
other
Li4V4P4O16F4
32
2
367.72
mp-1345647
7.464368
5.105314
-1.856939
other
Sr2Zn2Cu2P4O16
26
2
318.9
mp-559836
8.166686
0.940127
-4.443477
other
H18C6S4Br2N4
34
2
418.41
mp-1204058
10.470263
4.041722
-4.798486
other
Zn3Cu2H14S2O18
39
2
353.15
mp-818268
10.994761
9.133992
-6.568419
other
K4V6P4O26F4
44
2
645.74
mp-754987
9.596327
3.674022
-8.462207
other
Li12Fe4P4C4O28
52
2
565.93
mp-1200967
8.714201
1.33674
-4.311735
other
Mn4Sb4H16S10N8
42
2
615.57
mp-754793
10.29883
7.796951
-6.808868
other
Li2Co2P2H2O10
18
2
165.12
mp-555060
12.561316
6.351955
-0.643787
other
K9Eu3Si12O32F2
58
2
929.62
mp-707392
11.521729
4.240534
-4.596971
other
Mg3B2P2H18O20
45
2
381.91
mp-562774
8.181054
2.382467
-1.151774
other
Co2Sb4S4O8F24
42
2
719.28
mp-803159
7.477954
4.794124
-1.638566
other
Li4Mn2V2P6O24
38
2
459.62
mp-720810
9.881595
4.437953
-6.177803
other
K30H18S24N12O90
174
2
2,599.45
mp-758346
11.429901
5.551157
-3.581231
other
Li2Mn6Al4H12O24
48
2
436.41
mp-1194155
10.049927
2.395436
-2.763964
other
Zn1Sn2H12O6F6
27
2
333.19
mp-707838
12.193868
4.85749
-5.2484
other
Ca3Be2P4H10O20
39
2
394.75
mp-555656
8.080733
3.619494
-3.704383
other
Cu1C2S2O6F6
17
2
234.38
mp-1235042
11.219314
10.908716
0.681331
other
Sr2Li1Co1W1O6
11
2
147.51
mp-807965
8.116378
5.348761
-1.852293
other
Li8Mn2Fe6P8O32
56
2
610.58
mp-1193987
8.572956
1.586751
-4.660573
other
V2H12C4Cl2O6
26
2
348.29
mp-720439
6.035435
3.207618
-4.597307
other
H16Ru12C36N8O36
108
2
1,675.29
mp-732346
9.596479
4.624275
-3.582833
other
Al6P4H28O30F6
74
2
658.52
mp-743953
10.928259
10.442767
2.534717
other
Ca2La8Ti5Cr5O30
50
2
604.89
mp-695597
13.108043
6.899428
-0.731196
other
Na4Mg12Si16O44F4
80
2
875.3
mp-1203183
10.865444
3.651302
-4.742877
other
Li4P4H12N4O12
36
2
371.79
mp-1416168
7.457709
5.248174
-2.090157
other
K2Mg1Cr2H4O10
19
2
244.74
mp-773601
12.058837
4.802498
-5.043803
other
Li4Cu2P6H16O26
54
2
573.64
mp-2233099
11.539594
11.555273
-2.067014
other
Mg1V2Ni1Te2O10
16
2
200.26
mp-559606
8.863305
6.974482
-4.757125
other
Sc1Cr2Ag1H4O10
18
2
213.35
mp-1516901
9.710374
9.219306
0.93844
other
Sr2Eu2Bi2Sb2O12
20
2
307.66
mp-24816
8.802262
6.918308
-4.518449
other
K2Cr2Cd1H4O10
19
2
260.47
mp-1199615
10.354386
2.790907
-3.183678
other
V4Ni4H56O32F16
112
2
1,005.65
mp-1518043
5.971851
8.42621
-0.056699
other
Ba2Sr2Gd2Bi2O12
20
2
325.54
mp-1518454
9.715286
9.709221
3.651384
other
Ba2Sr2Dy2Nb2O12
20
2
302.06
mp-1227225
13.678768
4.780933
-2.344992
other
Ca5Ti1Sn4B10O30
50
2
565.19
mp-1181651
5.736073
3.669188
-4.023579
other
Fe2C8S4N6O10
30
2
679.86
mp-774686
8.224279
6.3375
-6.14179
other
Na6Ni4P4C4O28
46
2
605.5
mp-1229294
9.977757
2.861548
-2.907819
other
Al2Zn2H20O14F10
48
2
486.91
mp-1518423
10.832345
10.885429
0.662068
other
Ba2Ca2Sn2W2O12
20
2
299.35
mp-23717
12.436417
5.069739
-5.465092
other
Ca2Mg1P2H4O10
19
2
191.79
mp-690515
8.542525
6.844718
-4.325172
other
K2Co1H2Se2O10
17
2
250.97
mp-768593
8.621667
5.581535
-7.750226
other
Li6Fe4P4C4O28
46
2
555.72
mp-1518926
6.580703
10.362736
0.915822
other
Ba2Sr2Nd2Cr2O12
20
2
293.88
mp-733840
10.101121
2.482984
-3.792217
other
Ga2H24N6O6F12
50
2
452.03
mp-736513
9.097153
4.795085
-3.680918
other
Co1B12H28N2O30
73
2
632.31
mp-644594
10.613867
6.364547
-4.390041
other
K2Mg1Mo2H4O10
19
2
322.01
mp-1191429
7.774828
4.293557
-5.808427
other
K4Pt2C4Cl4O10
24
2
516.98
mp-722684
12.617226
5.509032
-5.812784
other
K1Al1P4H4O14
24
2
279.51
mp-696152
10.335995
2.947231
-4.191077
other
Cu1Sn1H12N2O6
22
2
182.38
mp-1209837
1.362975
2.001081
1.527482
other
Sr2Ca49Mo12N56O3
122
2
1,909.93
mp-648193
7.421194
3.415159
-3.256798
other
C24S24N48O24F48
168
2
2,451.89
mp-1235244
13.50263
8.589358
-1.198084
other
Li1V2Zn2Si2O10
17
2
190.01
mp-1218945
13.351748
5.679216
-5.885936
other
Sr20P12Br3Cl1O48
84
2
1,282.57
mp-1204090
9.659514
2.524832
-4.514298
other
P12H34S12N14O14
86
2
1,218.89
mp-774595
8.203391
6.347315
-6.110148
other
Na6Ni4P4C4O28
46
2
597.57
mp-1519221
8.784636
9.16191
1.704563
other
Ba2Sr2Eu2Sb2O12
20
2
312.51
mp-1046412
12.866969
6.53957
-6.791711
other
Sr2Mg2Ni2P4O16
26
2
315.42
mp-1202968
8.46591
1.084644
-4.485953
other
Si4H72C24N12O14
126
2
1,348.7
mp-1517334
9.318224
9.097386
2.316957
other
Ba2Pr2Eu2Sb2O12
20
2
318.45
mp-769518
8.568997
5.34004
-7.756524
other
Na6Mn4P4C4O28
46
2
621.2
mp-1518347
9.3571
9.100396
2.334759
other
Ba2Nd2Eu2Sb2O12
20
2
314.32
mp-761016
8.437481
5.623309
-7.348518
other
Na2Mn2P2C2O14
22
2
301.09