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-557604
13.809399
5.483678
-6.673935
other
Al6P6O24
36
148
628.14
mp-5858
8.565153
1.805553
-0.565375
other
Cd1Pt1F6
8
148
109.12
mp-37784
-6.93512
1.386648
-4.127562
other
La1Mo6Se8
15
148
320.99
mp-14252
10.599004
8.989312
2.127435
other
Ca6U2O12
20
148
305.92
mp-1232362
-2.951588
-2.366239
-5.873153
other
Pr6Mg6S18
30
148
733.92
mp-1228320
1.001915
2.602927
1.632611
other
Cs19W12N30
61
148
1,484.57
mp-1232277
-2.950727
-2.394028
-5.894538
other
Sm6Mg6S18
30
148
722.67
mp-1407403
9.382264
2.355747
1.529913
other
Mg1W1F6
8
148
106.55
mp-1180894
4.359301
-0.543576
-2.737564
other
Li6B2H12
20
148
152.76
mp-2226962
-5.185804
-0.715457
-5.302692
other
Mg1Mn4S6
11
148
188.36
mp-1104449
-5.698637
1.156062
-4.592671
other
Pr1Mo6S8
15
148
279.9
mp-1225724
-4.676482
-1.46998
-5.833186
other
Dy2Cu6S6
14
148
242.72
mp-1232198
-4.499257
-4.008141
-3.951802
other
Tm6Mg6Se18
30
148
781.95
mp-1394379
6.365527
10.477808
0.121296
other
La2Cr1O6
9
148
118.8
mp-1210738
8.245261
14.310188
-1.622689
other
Mn6Zn2O14
22
148
314.14
mp-1216587
8.742485
1.478478
0.195313
other
Tl1Ga1F6
8
148
106.42
mp-755135
9.654166
9.18165
2.475302
other
La6W1O12
19
148
303.78
mp-1193625
7.253079
12.541691
-1.709708
other
Mn6Zn2O20
28
148
339.96
mp-778822
8.912175
5.735841
-6.531541
other
Mn4S6O24
34
148
429.73
mp-1103998
-5.64415
1.251227
-4.742194
other
Fe1Mo6S8
15
148
271.94
mp-753063
9.88046
0.423887
-0.126562
other
Li6Cu2F12
20
148
196.94
mp-1232153
-2.908666
-2.375592
-5.991721
other
Ho6Mg6S18
30
148
689.3
mp-18732
9.852041
13.071408
0.019028
original
Ti2Ni2O6
10
148
100.19
mp-754300
9.881289
8.392502
1.178336
other
Ho2Bi2O6
10
148
157.15
mp-541756
1.979659
2.800614
-4.518657
other
Te6Mo3Cl36
45
148
1,432.7
mp-555911
8.341396
1.874757
-0.573482
other
Tl1As1F6
8
148
119.06
mp-1041394
9.939962
10.775262
1.011048
other
La2W1O6
9
148
138.9
mp-504580
11.132007
13.16391
-2.654744
other
V2Cu2O6
10
148
102.94
mp-1202537
11.945845
4.061701
-8.326653
other
Nb8S8O45
61
148
872.89
mp-19417
11.897564
12.606588
0.599354
other
Ti2Fe2O6
10
148
102.68
mp-753720
-3.760898
-1.529644
-5.527369
other
Li6Bi2S6
14
148
289.17
mp-771713
11.62532
11.396675
-2.724963
other
Cr4W6O24
34
148
587.77
mp-1224978
-5.604312
-0.782534
-3.920987
other
Fe1Co3S8
12
148
165.62
mp-11012
-2.799421
-0.921307
-5.402337
other
Sr3B6S12
21
148
475.79
mp-761293
10.826977
12.474281
1.207282
other
Zr4Co4O12
20
148
241.06
mp-18902
11.244345
11.266335
-2.436963
other
Li12W6O24
42
148
607.03
mp-1103989
-5.718959
1.223424
-4.658088
other
Nd1Mo6S8
15
148
278.5
mp-625392
11.450312
4.337408
-3.537756
other
Lu4H12O12
28
148
264.63
mp-27585
1.162695
1.725
-4.213546
other
K2Zr7Cl18
27
148
685.86
mp-1190033
-1.168266
1.229948
-1.652596
other
Tb7Mn1I12
20
148
761.4
mp-559161
9.239552
1.230611
-0.016712
other
Cr1Cd1F6
8
148
105.37
mp-19734
8.433664
1.164353
-0.394822
other
Mg1Pb1F6
8
148
107.87
mp-1392030
9.299488
1.013556
-0.659409
other
Zn1Co1F6
8
148
89.1
mp-770618
8.395148
14.434378
-0.667488
other
Mg2Mn2O6
10
148
96.26
mp-1103834
-5.697662
1.354377
-4.673578
other
Li1Mo6S8
15
148
276.7
mp-561036
10.469672
9.252625
-2.05548
other
Fe2Te12O26
40
148
571.58
mp-557519
9.233604
0.907335
0.328998
other
Ca1Cr1F6
8
148
113.02
mp-18049
12.893212
6.139289
-6.995054
other
Ge5P6O25
36
148
462.33
mp-1204686
9.202749
7.463635
-3.545402
other
Cu6Si6O24
36
148
477.35
mp-675104
1.251765
1.888587
-5.433891
other
Na3Y1Cl6
10
148
264.61
mp-1192587
7.440454
12.617631
-1.915429
other
Mn6Ni2O20
28
148
345.98
mp-761524
6.169146
13.212561
-1.938799
other
Mg2Co2O6
10
148
95.38
mp-1104316
-7.795792
-3.360318
2.349246
other
Ce2Sb2Pt10
14
148
264.55
mp-1225130
-6.154348
-3.099077
-2.218697
other
Er2Cu6Te6
14
148
335.96
mp-1409292
9.287838
0.985775
-0.702265
other
Mg1Ni1F6
8
148
87.04
mp-1204805
-7.742794
-2.724106
4.966142
other
Ga40Ge1Mo8
49
148
882.95
mp-35860
-5.576229
1.43121
-4.871734
other
Hg1Mo6S8
15
148
284.9
mp-1105126
8.545527
14.754766
-0.938533
other
Sr1Mn7O12
20
148
213.93
mp-1103642
-6.930573
1.486492
-4.137918
other
Ag1Mo6Se8
15
148
315.77
mp-23054
5.920965
8.932179
-1.571949
other
Na2Bi2O6
10
148
143.41
mp-731223
12.303928
6.942503
-4.98841
other
Ge2P6O12
20
148
438.12
mp-757056
9.827936
10.386747
-2.940757
other
Te1W1O6
8
148
101.08
mp-754989
9.651381
8.623163
0.106423
other
Er2Bi6O12
20
148
340.33
mp-5142
-6.127357
-2.620446
-0.875435
other
Sn12Te12Ir8
32
148
850.77
mp-541049
11.234437
10.391212
2.957516
other
Sr7Nb6O21
34
148
460.82
mp-1079194
7.266065
8.407323
-3.162085
other
K2Pt1O6
9
148
157.39
mp-1387033
9.135939
10.733683
0.619818
other
La2Mo1O6
9
148
133.27
mp-752922
9.824423
11.74776
0.556452
other
Li8Hf1O6
15
148
130.19
mp-1226458
-6.288369
-3.503443
0.734274
other
Co3Ni1Sb12
16
148
386.6
mp-2217928
-5.619328
-0.745964
-4.117797
other
Mg1Fe4S6
11
148
153.1
mp-3282
8.236956
11.732505
0.956512
other
Tb12Fe20O48
80
148
976.35
mp-35906
1.155562
2.182647
-5.529466
other
Y1Ag3Cl6
10
148
252.52
mp-1232401
-4.829074
-2.95282
-3.861395
other
Mg6In6Se18
30
148
1,133.76
mp-1104129
-6.994052
1.524458
-4.132051
other
Sn1Mo6Se8
15
148
323
mp-1178577
7.644131
12.73622
-1.159012
other
Al4Fe4O12
20
148
193.13
mp-31096
3.414015
-0.648174
-2.35416
other
Li6Al2H12
20
148
171.56
mp-1104502
-5.725756
1.566019
-4.905391
other
Bi1Mo6S8
15
148
284.84
mp-752842
6.744202
12.30393
-1.321719
other
Li6Mn1O6
13
148
124.96
mp-769397
10.74388
4.426968
-6.641301
other
Mg6S6O18
30
148
366.18
mp-768486
10.022346
4.680332
-6.892273
other
Sb4S6O24
34
148
556.19
mp-1101727
13.287985
12.165669
-0.415321
other
Na1V13O18
32
148
376.47
mp-1181880
7.010065
6.187184
-4.141575
other
Fe6S6O60
72
148
1,230.03
mp-3771
10.882894
12.244947
1.951373
other
Mg2Ti2O6
10
148
102.52
mp-29579
0.604437
1.001653
-3.610552
other
Sc7N1Cl12
20
148
428.2
mp-1104287
-6.940671
1.343005
-4.143029
other
Er1Mo6Se8
15
148
311.4
mp-1215998
-6.147006
-3.11795
-2.243266
other
Yb2Cu6Te6
14
148
347.55
mp-28457
12.519621
10.766912
2.275985
other
Ba2Ta15O32
49
148
627.89
mp-984696
-5.974475
-3.731509
-2.085399
other
Hf3Tl12Te12
27
148
914.82
mp-569261
-1.115797
1.209619
-1.598846
other
Pr7Co1I12
20
148
816.47
mp-755003
9.522365
8.522423
1.148744
other
La2Bi2O6
10
148
176.75
mp-754654
9.55116
12.196166
-0.960086
other
Ni4Sn4O12
20
148
231.07
mp-22604
8.288593
1.914338
-0.489456
other
In1As1F6
8
148
132.39
mp-1225940
-4.513015
-5.584066
0.404129
other
K60Ga18As38
116
148
3,944.04
mp-768499
6.591368
13.276733
-1.613268
other
Fe2Ni2O6
10
148
101.92
mp-27698
10.190902
8.826549
3.081461
other
Y6U1O12
19
148
267.35
mp-23472
1.616918
2.540142
-4.891479
other
Re1Ag2Cl6
9
148
216.24
mp-554423
13.379256
5.880987
-6.78382
other
Y8P24O72
104
148
1,583.43
mp-1232203
-4.602218
-3.952049
-3.879198
other
Pm6Mg6Se18
30
148
832.91
mp-755216
9.922726
8.412601
1.285248
other
Tm2Bi2O6
10
148
154.18
mp-556492
8.664619
2.014381
-0.744508
other
Co1Pt1F6
8
148
97.9