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-561197
8.481036
1.929831
0.147243
other
Ta4F20
24
12
329.82
mp-30410
-8.679247
-5.333808
2.237913
other
Mn2Au5
7
12
118.07
mp-1073586
-3.157851
-5.159329
6.639431
other
Mg4Si8
12
12
197.72
mp-1220493
-7.72038
-5.096083
6.59974
other
Nd5Co5
10
12
211.75
mp-1185912
-6.592594
-6.796861
2.863553
other
Mg2In4
6
12
151.73
mp-1215137
-3.8563
-1.558543
-4.153867
other
C1S30
31
12
4,752.35
mp-1038816
-7.048316
-6.183783
5.480729
other
Ce2Mg2
4
12
104.91
mp-1235252
6.511938
5.934449
-3.684805
other
Li1O8
9
12
112.16
mp-714944
11.823216
13.641786
-2.363233
other
V1O2
3
12
37.01
mp-1080367
-4.269842
-4.98277
-3.420425
other
Ce12Se24
36
12
3,271.4
mp-1072744
-5.517976
-3.730719
3.099105
other
Hf4Bi2
6
12
140.6
mp-573
-5.563197
-1.632854
-3.140084
other
Ni3Se4
7
12
116.26
mp-886
11.826994
8.088736
-0.131294
other
Ga4O6
10
12
105.73
mp-551470
9.73087
8.709241
-0.398442
other
Tl4O2
6
12
142.89
mp-21589
-8.102
-1.831967
2.630398
other
Ga9Ni13
22
12
262.64
mp-1096803
6.566865
8.740533
-2.344362
other
Mg1O2
3
12
37.09
mp-1399869
0.528169
2.973621
1.762484
other
Cr2N4
6
12
62.89
mp-1038767
-7.066306
-7.988138
3.087353
other
Mg2Cd2
4
12
84.96
mp-1094168
-7.645779
-8.889558
6.439734
other
La2Mg4
6
12
167.8
mp-1045833
8.905598
14.89365
-0.915592
other
Mn9O13
22
12
267.47
mp-2793
-4.353379
-2.013429
-4.23171
other
Au2Se2
4
12
99.91
mp-1072988
-2.214313
-5.685988
7.361967
other
Mg8Si12
20
12
369.33
mp-1094776
-7.250259
-10.716236
4.697903
other
Mg4Cd2
6
12
128.5
mp-561149
11.45401
8.759865
2.22735
other
Ce6O9
15
12
237.06
mp-1205462
10.921022
12.506691
2.023874
other
Ti6O14
20
12
505.03
mp-1223890
-6.599807
-6.625151
2.387166
other
In4Pb1
5
12
137.35
mp-1191610
-5.46875
-2.92166
2.794955
other
Zr14As8
22
12
440.25
mp-1100983
11.153869
8.729124
2.126979
other
U6O15
21
12
248.39
mp-1094317
-4.897243
-7.45756
3.546282
other
Sr4Mg2
6
12
259.06
mp-1209538
-3.758036
-7.311608
1.93888
other
Rb4Mo2
6
12
335.3
mp-1094503
-7.851879
-10.582731
5.001068
other
Mg4Zn2
6
12
114.21
mp-720166
9.804637
12.662783
-4.228216
other
V2O5
7
12
87.73
mp-1073495
-2.556719
-5.473225
6.987747
other
Mg4Si8
12
12
233.9
mp-1073532
-2.502525
-5.399423
7.165067
other
Mg4Si8
12
12
215.26
mp-998914
8.819006
8.494733
0.177786
other
K4O2
6
12
145.56
mp-1205567
-0.126239
0.685567
-2.980363
other
Y4Br6
10
12
307.28
mp-30999
1.674488
2.38905
-5.288891
other
Cu1Cl2
3
12
68.46
mp-1215649
-9.447811
-5.458547
3.200697
other
Zn13Fe1
14
12
209.36
mp-571258
-1.005671
1.025659
-1.574599
other
Er6I7
13
12
459.63
mp-1236522
6.538609
6.04294
-3.754634
other
Li1O8
9
12
126.04
mp-1061769
-5.196292
-1.712253
-3.75941
other
Cr1Se2
3
12
121.6
mp-1221185
-4.068207
-4.878559
5.674047
other
Na14Si102
116
12
2,415.27
mp-1072023
-6.24779
-6.887958
2.428019
other
Cr2Pb4
6
12
160.28
mp-21237
-7.362411
-1.140149
3.369812
other
Co4Ge4
8
12
103.64
mp-1188069
-8.617156
-1.522672
2.961368
other
Zr4Ni14
18
12
224.13
mp-1595
10.974912
11.958802
2.724905
other
Nb2O5
7
12
100.84
mp-1217739
-4.750994
-4.236317
6.083159
other
Tb8Si14
22
12
442.78
mp-1187021
-7.846981
-9.612888
6.668417
other
Sm1Mg5
6
12
148.26
mp-1287184
13.170552
11.176923
0.368911
other
V4O4
8
12
79.47
mp-1178850
8.031151
6.632295
-3.679179
other
V3O8
11
12
181.92
mp-1205444
-7.231791
0.740836
3.536967
other
Fe12C4
16
12
152.38
mp-31040
1.611732
2.492596
-4.339078
other
Nb2Cl8
10
12
264.77
mp-556477
10.172651
8.446693
3.263363
other
Lu6O9
15
12
187.34
mp-715811
9.794727
13.10741
-0.813018
other
Fe12O16
28
12
312.9
mp-1074637
-3.756243
-8.388057
7.166532
other
Mg8Si4
12
12
224.83
mp-1045896
6.531207
12.529755
-1.477368
other
Ni9O13
22
12
225.66
mp-1064840
-3.978047
-2.02846
-4.812904
other
Bi2S2
4
12
174.47
mp-13447
-9.503419
-5.205626
3.277312
other
Zn13Rh1
14
12
200.2
mp-1080321
-4.256355
-4.550032
-3.439771
other
Ce4Se8
12
12
449.02
mp-1094351
-5.099936
-3.118559
4.117578
other
Mg2Ti4
6
12
112.65
mp-1180810
-3.897848
-6.948113
1.774306
other
K3Rh1
4
12
191.77
mp-2278
7.320858
5.914626
-3.254156
other
Hg1O2
3
12
48.4
mp-1215522
-8.619471
-2.047827
2.769127
other
Zn1Ni1
2
12
24.56
mp-1094565
-5.622146
-5.878424
0.420162
other
Mg2Sb2
4
12
99.58
mp-2760
-3.701765
-0.326586
2.804147
other
Nb6C5
11
12
136.61
mp-1445439
2.445497
2.618692
0.89524
other
Te2N4
6
12
82.71
mp-2353328
1.14439
1.837109
-4.280217
other
Zr2Cl6
8
12
238.93
mp-1173444
-3.380494
-3.932364
0.55246
other
Rb6P22
28
12
755.78
mp-1039204
-7.339359
-7.101675
2.535268
other
Mg2Cd4
6
12
127.71
mp-654801
7.023416
9.944443
-1.690402
other
Cu1O2
3
12
87.81
mp-7291
-5.12412
-1.824283
1.604258
other
Cr2P4
6
12
74.98
mp-1073136
-2.535697
-5.579191
7.223259
other
Mg4Si6
10
12
177.97
mp-1078829
0.680428
1.045764
-3.592131
other
Gd4Cl6
10
12
273.76
mp-975
8.533411
2.56526
-1.309616
other
S3F18
21
12
259.59
mp-1262552
-3.022438
-5.180632
6.813284
other
Mg4Si8
12
12
208.22
mp-568758
-0.787452
1.075608
-3.824639
other
Bi8Br8
16
12
588.99
mp-1260852
-2.700174
-5.285215
7.015648
other
Mg4Si8
12
12
205.76
mp-1223969
-6.460351
-6.953101
2.041354
other
Hg1Pb2
3
12
92.4
mp-1039304
-7.65966
-8.63448
6.120069
other
Ce2Mg4
6
12
149.87
mp-1094239
-6.364032
-6.414683
2.11355
other
Mg2Sn4
6
12
154.9
mp-1173028
7.653974
5.591829
-3.379127
other
Nd2O6
8
12
157.67
mp-1062169
-7.688001
-6.84727
4.432138
other
Er1Cd2
3
12
88.36
mp-1077354
0.4507
2.090972
2.154744
other
Re2N4
6
12
54.94
mp-1094547
-5.746093
-5.533221
0.447679
other
Mg2Sb4
6
12
155.11
mp-641509
-8.264725
-1.90511
2.558908
other
In9Ni13
22
12
319.21
mp-978260
-6.463719
-7.198261
1.250581
other
Mg4Bi2
6
12
157.1
mp-1181027
7.292904
5.904399
-3.231924
other
Hg1O2
3
12
48.7
mp-1183839
-7.777109
-9.817776
6.680206
other
Dy1Mg5
6
12
148.27
mp-754815
-0.49579
0.751139
-3.634864
other
Y2Br6
8
12
292.48
mp-13494
-7.715147
1.02062
5.024823
other
Nd3Fe29
32
12
435.37
mp-1215598
-4.424034
-1.939751
-3.06443
other
Zr4Se6
10
12
232.66
mp-1213754
-6.426834
-2.651542
-1.774814
other
Cr5Te8
13
12
336.55
mp-27840
-5.431993
-1.65361
-3.822958
other
Cr3Se4
7
12
140.06
mp-18687
8.540072
1.929114
0.120308
other
Nb4F20
24
12
334.07
mp-715479
11.137224
10.746485
-3.201925
other
Mo3O8
11
12
160.56
mp-2036706
1.483977
2.34189
-4.573181
other
Ti2Cl6
8
12
193.7
mp-1232782
0.32355
2.139612
2.195108
other
Cr4N4
8
12
71.56
mp-980949
1.594533
2.98239
-4.531129
other
W2Cl8
10
12
247.15
mp-568301
-0.475505
1.044321
-4.277694
other
Bi2Br6
8
12
300.67
mp-1179586
-2.657358
-8.378411
1.422036
other
U2Zn17
19
12
3,605.75