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-1190562
8.507949
2.55482
-4.936262
other
Ho1H9C5N2O8
25
5
259.44
mp-1570812
11.683711
12.747989
-2.966501
other
Li2V4Cr1Cu1O12
20
5
242.71
mp-690559
8.996397
11.140357
2.748485
other
Na2La4Ti4Mn2O18
30
5
361.55
mp-1215727
-4.631903
-1.3389
-6.009008
other
Zn1Cu4Sn2Hg1S8
16
5
339.41
mp-1235389
14.047418
5.819589
-1.364483
other
Sr1Li1Al2B2O7
13
5
174.98
mp-2228512
10.283232
9.632643
-1.825989
other
Mg1Cu3Te2Br2O6
14
5
272.96
mp-1227451
12.823126
6.823116
-1.186745
other
Ca2Co1Si4Ni1O12
20
5
228.17
mp-755976
11.987051
12.363913
-2.715965
other
Li2Mn1V4Fe1O12
20
5
264.37
mp-698797
7.383107
11.799031
2.04174
other
Sr3La9Mn10Cu2O36
60
5
718.7
mp-1220706
12.577304
6.489982
-0.755822
other
Na1Y1Ti2Si2O10
16
5
188.38
mp-1220982
12.73559
6.545661
-0.866078
original
Na1Li1Ga2Si4O12
20
5
213.85
mp-1223355
8.72854
3.837895
-7.21062
other
K2Rb4C2O6F2
16
5
301.57
mp-2232200
8.976378
2.200883
0.492631
other
Cs2Mg1Mo2O4F6
15
5
302.59
mp-1215839
8.822584
2.592052
-4.964077
other
Zn2H14C6N2O12
36
5
394.82
mp-1200083
10.853503
9.130469
-3.717806
other
Rb8Mo10H8Se4O46
76
5
1,256.87
mp-1236521
9.869236
2.407649
-2.258017
other
Li1Ti1H6O2F6
16
5
162.45
mp-766680
10.389049
4.171005
-4.860937
other
Mn2Cu8H28S4O36
78
5
760.63
mp-2232093
12.097176
11.232807
-2.307189
other
Sm2Mg1Mo2Cl2O8
15
5
263.81
mp-1233414
8.089524
10.992451
2.096325
other
Sr4Ca1Mn2Ga2O11
20
5
273.94
mp-1233822
9.758071
2.332266
-2.071948
other
Ca1Ti1H6O2F6
16
5
178.82
mp-2228938
-3.552447
-1.14406
-5.526427
other
K4Mg1Nb2Cu2S8
17
5
450.09
mp-2229629
-4.255362
-1.091592
-5.554047
other
Na2Mg1Nb2Cu4S8
17
5
409.42
mp-2232458
12.093643
11.209901
-2.090289
other
Gd2Mg1Mo2Cl2O8
15
5
277.5
mp-1221351
8.947845
8.03588
-4.242597
other
Na2Mg1Zn5As6O24
38
5
480.7
mp-698655
11.398569
11.029326
-3.857375
other
K2Mg2In2Mo6O24
36
5
671.75
mp-1224053
-5.867065
-3.116987
-2.694791
other
In2Cu1Ag1Te2Se2
8
5
239.79
mp-2233108
10.334672
11.813845
-0.210617
other
Ba1Mg1Zn1Fe4O8
15
5
199.78
mp-1217238
9.984553
9.21259
-0.631662
other
Ti1Bi8W1Br2O16
28
5
457.56
mp-768559
14.869919
8.501468
-5.102068
other
Li4V4Sn2P6O24
40
5
524.75
mp-706231
9.595144
11.429251
0.595648
other
Na1Sr9Fe5Mo5O30
50
5
640.26
mp-1223804
7.843737
6.455257
-3.330982
other
K4Co2H8I8O28
50
5
758.4
mp-1224589
12.959835
6.307217
-0.744364
other
K4Mg6Zn4Si24O60
98
5
1,336.53
mp-1233692
14.386558
8.20689
-4.843899
other
Ba2Mg1Mo4P8O28
43
5
638.04
mp-720505
10.0188
9.371164
2.409119
other
Sr2La14Ti2Ga14O48
80
5
976.06
mp-752723
9.930655
2.312509
-1.503931
other
Li2V2H4O2F10
20
5
235.86
mp-1227097
12.401871
6.644529
0.364027
other
Ca2Sc2Al2Si2O12
20
5
242.11
mp-686601
12.950023
6.435338
-0.799819
other
Na6Mg2Al2Si14O36
60
5
625.97
mp-1233582
11.365788
4.698053
-4.034515
other
Cs6Mg1Np2H16O18
43
5
640.22
mp-2229574
-3.532928
-1.157173
-5.499105
other
Rb4Mg1Nb2Cu2S8
17
5
476.86
mp-753170
13.839829
7.891716
-6.891276
other
Li1V1P3H1O10
16
5
236.29
mp-2226822
12.182538
11.273685
-2.351988
other
Y2Mg1Mo2Cl2O8
15
5
253.49
mp-744672
12.085279
6.005537
-2.799518
other
Ca2Mn2Si4H6O17
31
5
329.19
mp-1233083
13.718238
7.979641
-0.790479
other
Sr2Ca1V2Si4O14
23
5
302.24
mp-1177840
14.943213
8.560557
-4.841357
other
Li4V4Cr2P6O24
40
5
479.64
mp-777577
14.321918
8.516402
-7.269574
other
Li12Mn2V6P12O48
80
5
926.15
mp-2231114
11.666909
12.580231
-3.116744
other
Mg1V4Fe1Ni1O12
19
5
244.8
mp-776051
13.411465
7.967285
-7.717669
other
Li4Mn4Fe2P6O24
40
5
472.87
mp-1220817
12.695463
6.595455
-0.888357
other
Na1Li3Ga4Si8O24
40
5
424.37
mp-1217348
10.433059
9.806014
0.061635
other
Ti2Nb2Bi10W2O30
46
5
645.08
mp-2216003
11.701916
11.143051
-1.445806
other
Rb2Nd2Mg1W4O16
25
5
367.4
mp-1217614
10.861485
4.15398
-4.368762
other
V3Ni1H48S4O40
96
5
921.92
mp-1228871
-5.327017
-2.526523
-4.024158
other
Cd1Fe4Cu10Sn5Se20
40
5
957.89
mp-698454
8.507464
2.555823
-4.935282
other
Dy1H9C5N2O8
25
5
256.09
mp-1233924
11.940237
11.59481
-1.614484
other
Mg1Cr2Cu2W4O16
25
5
285.64
mp-686747
14.277038
5.683598
-6.627583
other
K2Nb6Ag1P3O24
36
5
561.62
mp-1232350
8.451511
8.662771
0.139732
other
Sr6Nd2Ta2Al6O24
40
5
466.18
mp-777844
14.220956
8.477458
-7.229225
other
Li12Mn2V6P12O48
80
5
864.76
mp-1235519
11.001154
9.557629
2.776461
other
K2Li1Nd4Nb2O12
21
5
317.23
mp-1223571
13.5193
4.51341
-1.434577
other
La4Gd1Sc15B20O60
100
5
1,137.84
mp-1234839
11.989771
11.497682
-1.667706
other
Mg1Cr2Cu2W4O16
25
5
286.18
mp-2240909
12.162508
11.110264
-1.54352
other
Tb2Mg1W2Cl2O8
15
5
256.17
mp-1227573
12.660878
6.786151
-1.073763
other
Ca4Mg1Si8Ni3O24
40
5
451.67
mp-685127
11.474919
8.885345
-4.039066
other
Na1Mn2Mo2H3O10
18
5
233.61
mp-1228994
13.809696
4.718064
-2.313869
other
Al1Ga2Bi1B4O12
20
5
197.65
mp-698122
9.143323
5.07405
-4.689828
other
K6H6S4O16F4
36
5
615.68
mp-1221390
10.089583
11.046662
3.278523
other
Na2La1Ce1Ti4O12
20
5
233.94
mp-683957
10.422198
9.258265
-1.747145
other
Nd8Cu2Te10Cl6O30
56
5
978.48
mp-1354389
9.382913
0.581982
0.166207
other
Ba4Ca2Co4Cu2F28
40
5
565.01
mp-1190587
8.383513
2.532903
-4.943828
other
Eu1H9C5N2O8
25
5
284.9
mp-1173784
12.704531
6.425683
-0.575624
other
Na9Mg9Al1Si10O35
64
5
710.03
mp-1234502
11.304686
10.777998
-1.64933
other
Ca1V2Bi2Pb2O10
17
5
297.42
mp-1177094
14.219959
8.481062
-7.23711
other
Li12Mn2V6P12O48
80
5
864.55
mp-1224180
-5.849987
-3.023335
-2.832275
other
In1Ga1Cu2Te2Se2
8
5
216.44
mp-1100794
12.473894
7.033707
-1.497043
other
Na3Ca1Fe4Si8O24
40
5
450.87
mp-2232238
12.14384
11.081891
-1.454808
other
Dy2Mg1W2Cl2O8
15
5
254
mp-1234193
9.963105
2.296406
-2.3364
other
Mg1Zr2H12O4F12
31
5
306.43
mp-1191242
10.588882
7.73182
-4.145243
other
Na2Cu3Bi2As2O13
22
5
322.1
mp-1223912
-5.725125
-3.098505
-2.860426
other
In1Ga1Ag2Te2Se2
8
5
243.03
mp-1218313
8.186184
11.56848
2.129989
other
Sr1La3Mn2Cr2O12
20
5
242.88
mp-755828
11.74196
12.419694
-2.966721
other
Li2V4Cr1Cu1O12
20
5
254.07
mp-753040
11.569773
7.682013
-7.394563
other
Li1Mn1P3H1O10
16
5
231.78
mp-1227789
11.630314
6.840548
-1.234177
other
Ca8Be5Al3Si18O56
90
5
1,170.45
mp-1195590
9.927893
4.788346
-7.182256
other
Na12Mn4S8O32F8
64
60
868.58
mp-1182323
1.893476
2.674169
-4.08534
other
K12Pt12Br36N12O12
84
60
2,472.32
mp-1205435
14.54726
7.669656
-5.316579
other
K8Fe8P8O28F8
60
60
838.52
mp-777766
8.989954
2.036457
-0.545158
other
Li24Nb8H8O16F56
112
60
1,216.28
mp-850414
13.035866
4.547621
-3.27055
other
Li8B24P8H24O72
136
60
1,444.77
mp-1201590
10.841299
3.706678
-4.51491
other
Ca8P16H80N16O64
184
60
1,820.86
mp-1198023
8.349554
1.730393
-4.52494
other
Mn4H56C32N8O24
124
60
1,351.5
mp-759147
15.100113
8.568482
-4.556945
other
Li16V8P8O32F8
72
60
782.78
mp-1205186
13.138981
7.927526
-7.498318
other
Li8Fe8P8O32F4
60
60
735.25
mp-10537
12.842415
6.725672
-6.956185
other
Na16Co8P8O32F8
72
60
871.15
mp-1194982
10.049727
4.663856
-7.143127
other
Na12Fe4S8O32F8
64
60
859
mp-1199804
6.654912
1.844376
-4.285665
other
Si20H24C16N8Cl40
108
60
2,604.08
mp-10447
11.805305
8.512799
-5.43326
other
Rb8Te4Mo8P8O56
84
60
1,351.25
mp-778282
11.944341
4.914042
-3.525643
other
Li8Mn8B24H24O72
136
60
1,511.33
mp-1181859
14.271664
7.861876
-4.813233
other
K8Fe8P8O28F8
60
60
775.43
mp-1214331
4.773977
3.558281
-3.916294
other
Cd4H4C8N16O16
48
60
1,467.57
mp-1199936
6.514895
2.787314
-4.010294
other
Cd4H8C16S24N16
68
60
1,251.94
mp-1200790
8.795536
1.888883
-0.007837
other
Na24Nb8H8O16F56
112
60
1,489.93