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-1180361
8.316232
7.563301
-4.239488
other
Mo6N4O20
30
15
563.93
mp-15910
11.722768
10.983469
-0.580087
other
Re4Sb2O12
18
15
219.49
mp-1104192
8.014545
6.857154
-4.801844
other
Mg2S2O10
14
15
187.64
mp-1247336
1.500987
1.829135
1.376229
other
Sr10Pt4N12
26
15
478.91
mp-1213281
7.744958
10.529429
-0.291591
other
Eu8Mo4O24
36
15
483.13
mp-1195682
11.613841
7.840494
-3.594478
other
Th2As16O36
54
15
819.57
mp-11711
13.962396
4.191019
-2.109487
other
Gd2B6O12
20
15
193.94
mp-1205338
-4.809283
-5.175653
0.445245
other
Ca6Al4As8
18
15
436.48
mp-26274
11.097263
8.059394
-7.460671
other
Mn2P8O24
34
15
485.06
mp-4016
-3.909178
-1.486345
-5.704775
other
Tl8Ga8S16
32
15
806.67
mp-1045475
9.18208
12.542985
0.988504
other
Y2Mn4O8
14
15
188.65
mp-26240
13.373783
8.725283
-5.775037
other
Mo4P8O28
40
15
527.4
mp-865182
1.055144
1.720078
-5.031989
other
Gd4S2Cl8
14
15
333.89
mp-1079885
-3.620151
-1.347458
-5.349614
other
Li2Sb2S4
8
15
169.3
mp-1247403
2.297086
2.410548
1.548168
other
In10Si4N12
26
15
390.08
mp-1042864
11.719425
7.460063
-1.037645
other
Ti2Ge4O12
18
15
241.56
mp-1177942
10.430187
10.485434
3.505787
other
Li4Hf4O10
18
15
204.76
mp-3615
13.913914
4.252388
-2.006033
other
Nd2B6O12
20
15
202.63
mp-542297
9.296979
6.188959
-4.592868
other
Eu4S2O12
18
15
225.18
mp-1106113
8.037706
6.501204
-5.074731
other
Hf2S2O14
18
15
309.29
mp-1105722
10.100198
11.342657
2.670449
other
Ce2Ti4O12
18
15
218.38
mp-1209428
1.247237
2.321949
-5.818293
other
Rb12Dy4Cl24
40
15
1,291.41
mp-691164
9.945327
13.863752
0.170824
other
Li6Mn4O8
18
15
170.05
mp-27564
13.346958
4.699681
-2.571555
other
Na8B4O10
22
15
244.26
mp-19440
10.40766
12.321017
-3.749132
other
Li4V4O12
20
15
272.34
mp-27482
-2.598499
-0.462807
-5.407998
other
Ag8P4S14
26
15
578.89
mp-1046942
10.818519
11.069877
-3.020981
other
Nb4Mo2O16
22
15
322.05
mp-581814
-5.669631
-6.095978
0.901922
other
Ca42Mn8Bi36
86
15
2,658.12
mp-1246398
1.964327
2.377489
1.038749
other
Cd6In4N8
18
15
302.5
mp-724566
10.131303
9.247444
-6.368696
other
V2P2O10
14
15
169.73
mp-1101632
9.186036
10.358898
-3.154674
other
Tc12Bi2O36
50
15
804.87
mp-570258
2.275108
1.916045
1.632388
other
Ca6Al4N8
18
15
239.48
mp-695772
13.521485
8.127037
-6.128081
other
Mo2P8O24
34
15
449.96
mp-1246703
2.217957
2.227007
1.63467
other
Zn10Ge4N12
26
15
357.43
mp-541353
-3.312506
0.629725
-3.984041
other
K8Tc12S24
44
15
960.09
mp-1246781
1.766708
1.898957
1.077819
other
Ca10Pb4N12
26
15
502.87
mp-4321
12.885724
6.787645
-0.666848
other
Mg4Si4O12
20
15
201.48
mp-1245481
5.412861
2.298867
-2.855799
other
Nb4C6N12
22
15
269.71
mp-7638
10.949861
11.794731
2.89761
other
Li2Ta6O16
24
15
275.42
mp-753309
8.044052
2.046044
1.225959
other
Bi4O2F8
14
15
201.78
mp-19351
13.597147
7.652666
-1.067845
other
Mn2Si4O10
16
15
161.47
mp-1245823
0.882396
2.128953
1.731931
other
Sr6Os4N8
18
15
293.66
mp-756916
5.378049
10.695953
-2.02173
other
Mg2Fe4O10
16
15
172.03
mp-1178523
1.043622
1.711318
-5.22592
other
Ba2La2Cl10
14
15
566.51
mp-1200056
7.24565
7.328336
-3.888875
other
Sm4Se6O40
50
15
838.28
mp-18942
13.708605
8.630506
-6.766222
original
V2P4O14
20
15
264.25
mp-1444570
9.751377
0.536823
0.414924
other
Mg2Fe2F10
14
15
180.48
mp-1209219
1.610595
2.581106
-4.79381
other
Rb2Nb2Cl12
16
15
453.55
mp-16808
11.40013
11.119354
-2.448975
other
La4W6O24
34
15
517.43
mp-1247348
1.270448
1.86372
1.483289
other
Sr10Rh4N12
26
15
472.18
mp-1209750
7.060338
6.877012
-4.016174
other
Rb6Np2O18
26
15
512.39
mp-8957
9.858961
9.526046
0.899858
other
Na10Ta2O10
22
15
304.01
mp-1194175
-0.528712
1.302824
-4.712508
other
Cs6Hg6Br18
30
15
1,144.74
mp-1209740
10.666447
10.557618
0.17996
other
Pr8Mo4O24
36
15
515.31
mp-1210402
7.966399
4.719204
-6.42631
other
Na6C4O12
22
15
358.79
mp-754667
-1.232559
1.953536
-1.647029
other
Ba2Sr4I12
18
15
833
mp-15558
9.598661
1.076689
1.134333
other
Li18Ga6F36
60
15
594.53
mp-1188211
-5.444042
-2.796227
5.805176
other
U4Si10Ru6
20
15
327.59
mp-768317
11.881626
6.935095
0.692833
other
Dy8Si4O20
32
15
425.21
mp-761275
10.007102
2.248341
0.607485
other
Li2V2F10
14
15
169.03
mp-767404
11.78754
7.641698
-3.375188
other
Gd4As8O22
34
15
538.57
mp-753443
11.741998
5.674618
-3.192436
other
Na4Be4O8
16
15
156.89
mp-1247357
2.140189
1.810708
1.658454
other
Y8In4N12
24
15
388.99
mp-778405
10.344561
1.907095
2.221617
other
Li4Fe8F20
32
15
427.81
mp-1402613
9.12482
2.148902
1.520901
other
Ca2Mo2F10
14
15
221.43
mp-772094
10.212057
10.757071
0.616476
other
Lu8W4O24
36
15
444.48
mp-624691
10.73529
12.178473
-3.621641
other
V4Ag4O12
20
15
278.13
mp-1313604
7.449835
12.507886
-2.303813
other
Co6Te2O16
24
15
307.55
mp-30149
-5.024194
-6.347151
0.707785
other
K24Tl8Sb12
44
15
1,656.55
mp-1384087
11.524219
9.483286
0.464167
other
Al2Sn4O8
14
15
188.35
mp-542676
10.510651
9.367409
-1.868141
other
Lu4Te8O22
34
15
471.07
mp-2933
-4.626268
1.004168
3.328988
other
Pr4Re6B12
22
15
277.38
mp-675562
8.355549
1.04189
1.670761
other
K4Th2F12
18
15
313.66
mp-9720
-3.486539
-4.43425
0.774386
other
Rb6B2P4
12
15
393.36
mp-17822
10.51837
10.68331
0.397835
other
Dy8Mo4O24
36
15
456.56
mp-3540
9.731747
11.41869
0.03842
other
Li8Sn4O12
24
15
237.67
mp-1208584
7.2514
7.297706
-3.962968
other
Y4Se6O40
50
15
856.03
mp-17254
-4.719802
-2.949233
-3.983549
other
Tl8Ga8Se16
32
15
917.35
mp-1246478
1.52914
1.784669
2.062557
other
Ca6Ti4N8
18
15
261.39
mp-1200544
10.339774
10.301837
1.416834
other
Ta6Bi8O28
42
15
600.64
mp-1079994
-5.671712
1.029583
2.767841
other
Y2Ni4B4
10
15
120.23
mp-29582
1.504003
2.350481
-5.344603
other
Li4Cr2Cl8
14
15
295.94
mp-19369
12.11445
12.348858
1.628607
other
Ti8Cr4O20
32
15
357.83
mp-27331
-5.869411
-3.593446
-1.988933
other
K12Ge4Te12
28
15
1,072.74
mp-1180703
13.143947
6.903238
-0.814808
other
Mg4Si4O12
20
15
217.49
mp-1246880
0.69221
2.61717
1.650337
other
Re4Ni8N12
24
15
326.23
mp-1305278
8.645734
15.197153
-0.56432
other
Li6Mn8O16
30
15
309.19
mp-754000
10.206342
2.30446
1.706335
other
Li4V2F10
16
15
164.79
mp-989466
6.186265
2.68596
-2.895077
other
B8C12N24
44
15
291.6
mp-1198447
5.555315
3.470812
-3.71723
other
C12N16O12
40
15
599.91
mp-1197221
7.636729
7.21823
-4.469252
other
Er4S6O40
50
15
800.35
mp-1289597
12.920185
5.644179
-3.287885
other
Mn4B4O12
20
15
181.03
mp-1210918
8.435315
8.025469
-2.4187
other
Mg12Si8O36
56
15
737.42
mp-554737
8.426555
1.38447
-0.341482
other
Cs2Au4F14
20
15
371.35
mp-553893
10.599842
10.732183
-3.933461
other
Eu12Mo20O78
110
15
1,797.95
mp-1043383
10.120377
7.952876
-3.025346
other
Mn4Ge8O24
36
15
449.64
mp-780246
9.559197
8.688649
-0.485446
other
Na4Bi8O14
26
15
486.27
mp-561362
13.910091
8.148638
-1.038632
other
Fe4Si4O12
20
15
230.28
mp-1178410
7.267606
11.072612
-1.090044
other
Cu4Ni2O8
14
15
140.62
mp-1193689
6.407565
6.140986
-3.811553
other
N2Cl4O22
28
15
400.85