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-542844
9.527097
12.34796
-4.31458
other
V4O10
14
15
149.17
mp-684690
-4.109322
-4.091594
-3.751344
other
Sc4Se6
10
15
243.02
mp-567963
-8.854772
-6.057386
6.48455
other
Lu10Ir4
14
15
336.61
mp-1185842
-8.066768
-6.850001
2.331278
other
Mg2Ag4
6
15
106.01
mp-28266
-4.112665
-2.835069
0.671848
other
P4Pd2
6
15
100.97
mp-1039548
-7.830157
-8.800164
6.238245
other
Ce2Mg4
6
15
155.72
mp-1104150
-8.792682
-6.412841
7.035161
other
Tm10Ru4
14
15
348.07
mp-1212478
9.93434
4.184068
-4.264856
other
H12O8
20
15
154.18
mp-1178684
7.022012
8.493728
-1.150718
other
Y2O4
6
15
104.31
mp-1078904
-5.577572
-3.608341
-1.945925
other
Sb4Te6
10
15
319.94
mp-753169
11.325791
-0.411707
0.680113
other
Mn4F10
14
15
165.98
mp-1104669
-5.620301
-7.185095
3.81216
other
Ca10Pd4
14
15
422.36
mp-557837
15.404371
5.763228
0.320155
other
Si4O8
12
15
174.81
mp-571193
-4.771707
-1.858233
1.111877
other
Mn8P32
40
15
574.75
mp-582753
-5.723835
-4.322156
-2.168854
other
Tl44Te22
66
15
2,295.82
mp-1221467
8.401342
9.534121
-3.632916
other
Mo2O8
10
15
150.78
mp-31050
6.356997
5.984685
-3.588947
other
Cl4O14
18
15
257.81
mp-1104396
-8.06982
-6.035289
6.271085
other
La10Ir4
14
15
428.92
mp-30987
12.980131
13.039002
-1.172417
other
V12O20
32
15
325.61
mp-1238837
6.382272
0.379464
-3.518849
other
B24H24
48
15
484.97
mp-540783
7.80772
8.803901
-3.526577
other
Os2O8
10
15
156.74
mp-1181390
8.009698
2.726915
-1.129243
other
Ga2F6
8
15
321.95
mp-1094570
-6.94533
-11.026066
5.510603
other
Li2Mg4
6
15
127.71
mp-2617
-8.48111
-4.475211
2.152799
other
B4Pd10
14
15
174.49
mp-32881
12.140582
8.010678
1.01351
other
Si12O4
16
15
310.48
mp-1065190
7.373091
9.790151
-1.752112
other
Ag2O2
4
15
57.63
mp-1406655
8.970736
2.620289
0.261385
other
Mo2F10
12
15
178.15
mp-1104821
-7.767624
-6.704867
7.085225
other
Pr10Co4
14
15
389.52
mp-1210665
-8.80044
-6.286767
6.88487
other
Lu10Ru4
14
15
331.74
mp-32566
12.165663
8.014091
1.079643
other
Si12O4
16
15
312.71
mp-1179696
8.403328
2.045491
-0.393667
other
Ru2F6
8
15
170.52
mp-28256
-4.761714
-1.564845
-3.060481
other
V4Se18
22
15
571.95
mp-28268
-1.029632
2.302151
-3.246989
other
Pt4I12
16
15
561.8
mp-1705
9.674141
10.210788
-1.413729
other
Sb4O10
14
15
160.92
mp-1303934
8.764513
14.985567
-0.929101
other
Mn4O6
10
15
108.36
mp-30367
-5.81232
-7.308592
3.561669
other
Ca10Au4
14
15
445.25
mp-16713
-3.613008
1.683748
2.900621
other
Pr8B20
28
15
390.63
mp-651707
15.48219
5.723538
0.341992
other
Si28O56
84
15
1,445.12
mp-1179268
12.762148
10.963166
1.86022
other
Ti4O6
10
15
135.61
mp-1096903
0.69003
3.086854
1.537092
other
Cr4N8
12
15
213.68
mp-562490
15.648149
5.643091
0.404539
other
Si4O8
12
15
214.29
mp-862671
8.473824
1.226333
1.529697
other
Th6F24
30
15
435.71
mp-1179948
8.063143
2.576764
-0.949103
other
Pd2F6
8
15
286.2
mp-753215
10.669732
0.171059
0.560853
other
Mn4F10
14
15
214.38
mp-1104605
-8.363321
-6.500125
6.737785
original
Nd10Ir4
14
15
404.56
mp-1179608
7.839683
7.037045
-4.644071
other
S2O8
10
15
152.63
mp-11508
-5.088091
-1.71925
1.501681
other
Mo2P8
10
15
162.41
mp-622640
10.354451
12.602575
-3.994258
other
V18O42
60
15
772.5
mp-1104805
-8.780187
-6.39608
6.690048
other
Dy10Ir4
14
15
367.95
mp-646895
15.525512
5.686478
0.325704
other
Si32O64
96
15
1,900.51
mp-752912
9.907168
2.352258
-0.091354
other
V2F10
12
15
173.28
mp-1388415
8.804869
1.772304
-0.677887
other
Cr2F10
12
15
184.01
mp-1080278
-4.268853
-4.974709
-3.422884
other
Ce8Se16
24
15
1,336.93
mp-1443442
9.6711
2.24934
-0.159716
other
V2F10
12
15
187.7
mp-582735
1.356915
2.332364
-5.34458
other
Yb16Cl34
50
15
1,222.5
mp-684904
8.551363
8.53264
-0.044357
other
K4O2
6
15
182.41
mp-796240
9.24653
11.890578
-4.324853
other
V6O16
22
15
281.08
mp-1104397
-6.730072
-6.523358
3.756751
other
Yb10Pd4
14
15
403.2
mp-1104898
-8.353429
-6.435492
6.877189
other
Y10Ru4
14
15
365.39
mp-12787
15.028364
5.915743
0.111643
other
Si6O12
18
15
226.86
mp-1080277
-4.265702
-4.990812
-3.419699
other
Ce6Se12
18
15
1,101.46
mp-30622
-8.666318
-6.605136
7.090874
other
Dy10Ru4
14
15
355.76
mp-1100786
-6.345211
-2.028432
0.999654
other
Ni22As16
38
15
506.63
mp-1179088
6.54054
5.686659
-3.912698
other
Te2O6
8
15
440.41
mp-1094682
-6.222742
-5.879095
3.670256
other
Mg2Ga4
6
15
109.77
mp-1004532
3.261873
2.780898
-4.191964
other
C16Cl64
80
15
2,085.15
mp-1178903
10.298598
2.673404
1.580643
other
V2F6
8
15
106.98
mp-540675
2.112633
2.883112
-4.383939
other
Se8Cl32
40
15
1,148.07
mp-672705
-3.002615
-2.097538
-5.217131
other
Yb2S4
6
15
130.92
mp-672351
-0.157379
0.66441
-3.178726
other
Sm12Br26
38
15
1,147
mp-542001
8.615558
1.233865
1.479876
other
Ce6F24
30
15
454.48
mp-1178416
12.211125
11.922927
0.539758
other
Cr2O2
4
15
50.19
mp-1208439
8.352036
1.446827
0.016161
other
Tb6F24
30
15
454.14
mp-571424
1.477208
2.339066
-4.585433
other
Ti4Cl12
16
15
390.79
mp-1202007
-3.584653
-1.379366
-5.62155
other
Sn12S28
40
15
2,384.74
mp-1103758
-8.764458
-6.096678
2.52414
other
Ce2Au12
14
15
278.96
mp-1190322
3.932887
2.75079
0.783149
other
P8N14
22
15
210.66
mp-684805
-6.584629
-2.897698
0.750639
other
Mn28Sb26
54
15
1,061
mp-1103570
-5.858335
-6.750789
3.652823
other
Ca10Pt4
14
15
407.98
mp-582067
-5.669412
-3.322428
3.556666
other
Hf24As8
32
15
634.86
mp-1182169
6.64644
6.082123
-3.720669
other
Ba2O12
14
15
240.6
mp-1217192
-3.907296
-0.170791
-4.305228
other
Ti8S12
20
15
348.86
mp-1104420
-8.491394
-6.390361
6.894466
original
Tb10Ru4
14
15
367.09
mp-1208424
-0.541729
1.256292
-4.017073
other
Te8Br32
40
15
1,473.88
mp-697025
0.591896
2.362776
-3.909042
other
H8I8
16
15
496.19
mp-1103964
-8.831468
-6.083626
6.382907
other
Er10Ir4
14
15
356.88
mp-1066856
7.318279
9.688637
-1.680108
other
Ag2O2
4
15
60.46
mp-684
-3.051747
-1.381287
-5.412635
original
Ba2S4
6
15
181.14
mp-1178852
13.039181
11.740602
-0.685222
other
V4O6
10
15
148.94
mp-1104820
-8.777951
-6.38235
6.947132
other
Ho10Ru4
14
15
355.97
mp-770274
-4.568526
-1.788625
1.049932
other
Ni4P16
20
15
312.28
mp-1094607
-5.764847
-7.116835
3.526307
other
Li4Mg2
6
15
121.02
mp-570651
-6.45899
-1.900234
5.903735
other
Al34Mo8
42
15
653.04
mp-680760
-0.4648
1.185999
-4.328842
other
In16Br28
44
15
1,589.6
mp-1104610
-6.033323
-6.973464
3.692143
other
Eu10Pd4
14
15
448.74
mp-1039605
-6.677723
-5.975846
5.418953
other
Ce4Mg2
6
15
158.78
mp-2402
-3.655285
-5.389884
5.463227
other
Na8Si8
16
15
381.46
mp-1183007
9.14271
0.975603
1.093228
other
Al2F6
8
15
92.17
mp-1182164
6.628799
6.109832
-3.755916
other
Ba2O12
14
15
251.76
mp-1173629
-4.152378
-0.603253
-3.13497
other
Nb22S24
46
15
968.14