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-1206673
1.737442
2.427533
0.206826
other
Cs2Li2N4
8
15
185.1
mp-3054
8.4847
3.699987
-7.391204
other
Li4C2O6
12
15
114.45
mp-571626
-7.925375
-3.296355
5.107863
other
Mg6Ga14Co4
24
15
388.86
mp-1173033
-4.532762
-0.984126
-3.095258
other
Nb6Ir2Se16
24
15
555.84
mp-1227172
11.731559
11.123058
-3.460483
other
Ce4Mo6O24
34
15
500.36
mp-540684
10.315326
11.113692
-2.977928
other
Eu4W6O24
34
15
500.53
mp-1179324
12.368108
12.727531
-0.394565
other
Ti6V4O18
28
15
342.41
mp-2980
10.476127
9.270741
-1.962002
other
Pr4Te8O22
34
15
529.65
mp-1199311
5.719922
3.419886
-4.695541
other
Mn4C20O20
44
15
819.67
mp-849803
-5.151915
-0.804941
-4.858959
other
Li8Ni8S12
28
15
440.45
mp-755653
9.419305
0.911058
-0.396972
other
Li2Fe2F10
14
15
160.17
mp-1215018
1.391671
2.401746
-3.390087
other
Au6I16N6
28
15
1,122.25
mp-26432
10.048041
7.838416
-6.507527
other
Co2P8O24
34
15
496.3
mp-760701
10.807943
12.335703
2.434843
other
Li4Nb4O12
20
15
252.98
mp-1246106
0.641012
2.400255
2.029907
other
Ta4Co8N12
24
15
247.22
mp-556221
8.344218
2.294585
-0.822987
other
Ni2Xe8F56
66
15
1,087.42
mp-1200396
10.780148
7.287081
-1.604504
other
Mg6Si8O24
38
15
479.83
mp-1338333
7.232698
9.877871
-0.559133
other
Eu4Cu4O12
20
15
281.02
mp-1102938
10.314295
0.173174
0.760871
other
Mn2Tl2F8
12
15
179.18
mp-605912
1.868476
2.469691
-4.99786
other
Al4Ni2Cl16
22
15
586.13
mp-1246690
1.388608
1.947899
1.43548
other
Sr10Mn4N12
26
15
447.31
mp-766827
10.158397
12.540422
-1.071412
other
Li12W4O18
34
15
334.34
mp-861258
12.299841
7.312187
-1.796003
other
Mn6Si6O20
32
15
397.18
mp-22450
6.270783
9.455595
-1.493482
other
Li4Pb2O6
12
15
127.42
mp-731850
8.424988
2.294555
-0.975775
other
Ti4O4F20
28
15
411.13
mp-8836
8.946877
0.99327
1.417294
other
Ca2Al2F10
14
15
182.75
mp-1213163
11.167693
11.032193
-3.896218
other
Dy4Mo6O24
34
15
476.97
mp-30027
1.440665
2.525112
-5.625673
original
Rb4Cr4Cl12
20
15
545.85
mp-555349
9.469184
4.060086
-5.748912
other
La12C6O30
48
15
687.44
mp-1245400
5.021142
2.105615
-3.306399
other
Mn4C6N12
22
15
228.11
mp-1247205
4.997195
3.065805
-3.910023
other
Cs4S8N12
24
15
696.36
mp-30150
5.192226
-0.494669
-3.058542
other
Ga6B6H36
48
15
515.26
mp-1390510
10.973466
13.032509
-0.221246
other
Al2Cr4O8
14
15
149.51
mp-557450
8.112834
11.02147
-0.490082
other
Na8Pt4O12
24
15
267.58
mp-21540
9.773232
1.751236
1.811244
other
Li18Ti6F36
60
15
614.87
mp-1246018
2.336756
2.132223
1.732639
other
Al4Zn6N8
18
15
209.24
mp-20376
14.263138
4.77703
-1.892337
other
Ce2B6O12
20
15
212.76
mp-26156
10.641827
8.078547
-7.148541
other
Mn2P8O24
34
15
460.36
mp-1191216
8.415126
9.625134
-0.236727
other
Cs8Fe4O10
22
15
499.69
mp-1224622
8.60464
1.456261
1.160185
other
Gd2Zr6F30
38
15
509.06
mp-691115
8.193295
14.611001
-1.079969
other
Li8Mn10O24
42
15
397.46
mp-4867
12.450806
7.345764
0.818858
other
Ca2Al8O14
24
15
298.17
mp-1029689
0.98925
2.310294
1.807481
other
Ca8Mo4N12
24
15
349.91
mp-1246180
1.051835
2.124209
1.819508
other
Ba6Cr4N8
18
15
325.61
mp-1247141
2.494781
2.356139
1.569262
other
Si4Sn10N12
26
15
484.69
mp-1209179
1.98039
2.759092
-5.075773
other
Rb2Sb2Cl12
16
15
466.62
mp-12210
10.531917
7.507486
-6.521844
other
Yb4P20O56
80
15
1,103.18
mp-28641
13.778487
4.479311
-1.641598
other
Th4B8O20
32
15
406.84
mp-1078483
-7.660398
-4.761455
3.233557
other
Ca4Ge2Pt4
10
15
211.34
mp-1246676
2.388259
2.108106
1.817727
other
Mg6Al4N8
18
15
199.95
mp-753351
-1.211728
1.890392
-1.632916
other
Ba4Ca2I12
18
15
755.96
mp-17360
10.257069
9.391146
-2.115875
other
Ni4Te6O16
26
15
363.08
mp-776220
1.694311
1.793018
2.975732
other
Hf12N12O6
30
15
379.14
mp-997040
6.487962
5.918425
-3.834197
other
Au2Br2O4
8
15
187.29
mp-776508
6.888458
10.176705
-1.699459
other
Na8Co4O12
24
15
434.47
mp-27379
8.20265
2.026255
-0.913093
other
Te12As12F60
84
15
1,502.69
mp-1209919
7.584856
7.769657
-3.902842
other
Ni2Se2O10
14
15
180.58
mp-556729
10.454869
12.013944
2.578041
other
Ba12Ti34O80
126
15
1,646.1
mp-30991
7.601466
6.574216
-2.845052
other
Ba2I4O12
18
15
332.65
mp-685142
9.315907
12.360559
-1.33147
other
Co14Sb4O24
42
15
470.55
mp-560690
11.357405
11.056926
-4.034936
other
Sm4Mo6O24
34
15
474.7
mp-1407843
8.128459
1.215192
1.234238
other
Ca2Bi2F10
14
15
269.39
mp-1209163
7.269093
7.317924
-3.949176
other
Tb4Se6O40
50
15
856.1
mp-696740
6.885761
5.949149
-3.598611
other
Ca2C2O6
10
15
118.88
mp-12647
10.574711
10.532989
3.254817
other
Tb2Nb2O8
12
15
150.27
mp-30980
9.692235
8.544209
3.206867
other
Na4Y4O8
16
15
216.45
mp-1209595
1.296063
2.505201
-5.875369
other
Rb12Yb4Cl24
40
15
1,327.81
mp-625821
8.365963
5.029195
-3.885713
other
Sr2H8O12
22
15
207.28
mp-557715
8.490814
1.88843
-0.721749
other
Cd2Au4F24
30
15
431.36
mp-756283
11.54725
1.505359
2.653035
other
Fe8O2F14
24
15
300.11
mp-989633
0.855474
2.597996
1.784437
original
La4W4N12
20
15
332.33
mp-1246201
1.306278
1.920608
1.536785
other
Sr10Re4N12
26
15
484.42
mp-770766
10.535848
10.659954
0.858613
other
Sm8W4O24
36
15
499.22
mp-1246032
2.054727
1.943852
1.562878
other
Y4Cd6N8
18
15
277.18
mp-27926
8.291114
2.356849
-1.046464
other
As2Cl2F16
20
15
288.99
mp-675354
7.929048
12.878631
-0.717202
other
Li6Ru4O12
22
15
188.94
mp-1213631
12.372239
5.428394
-2.690317
other
Eu20B40O90
150
15
1,466.45
mp-1101419
10.760028
9.351414
-0.607264
other
Sb6O8F2
16
15
268.9
mp-28158
11.873084
6.38572
-1.339609
other
K8Be6O10
24
15
351.82
mp-19132
11.07746
11.080816
-2.775909
other
Hg2W2O8
12
15
174.25
mp-765781
10.045541
2.244487
0.572962
other
Li2V2F10
14
15
167.26
mp-28351
11.638597
7.512528
0.52413
other
Dy8Ge4O20
32
15
448.96
mp-687212
11.244393
7.941808
-7.311891
other
Cr2P8O24
34
15
439.56
mp-697769
13.381368
8.117295
-6.184042
other
Mo2P8O24
34
15
462.52
mp-1211394
5.360676
4.008852
-4.365274
other
Ni2C12O12
26
15
1,243.66
mp-776032
-1.243374
1.928562
-1.620303
other
Ba8Y4I28
40
15
1,826.92
mp-1246905
2.224165
2.062919
1.200698
other
Ba10C4N12
26
15
506
mp-673117
13.396196
6.746542
-6.130939
other
Sn4P6O20
30
15
514.37
mp-755741
10.372364
1.58516
2.156774
other
Li4Fe2F8
14
15
157.51
mp-1213635
-3.106403
0.432055
-3.404551
other
Cu8Re12Se24
44
15
1,015.93
mp-989640
1.068044
2.447425
1.743515
other
Y4Tc4N12
20
15
311.92
mp-755403
9.542458
8.541637
3.214514
other
Ba4Sc4O10
18
15
334.62
mp-9665
-4.488272
-5.485621
0.620638
other
K6B2As4
12
15
385.37
mp-757155
14.102461
7.521952
-5.793099
other
Nb2P8O24
34
15
471.39
mp-4871
13.208385
6.442991
-6.776103
other
Er4P20O56
80
15
999.67
mp-541817
-1.335031
1.907923
-2.651472
other
Nb4Se4I12
20
15
728.47
mp-1210814
7.349786
6.866526
-4.383721
other
Na4P4O24
32
15
544.42
mp-759516
5.565112
11.111105
-1.756487
other
Na8Fe4O12
24
15
241.22
mp-760293
10.491015
1.020998
1.802429
other
Li2Mn4F10
16
15
205.29
mp-989637
1.007684
2.357279
1.645693
other
Ba4Re4N12
20
15
383.36