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-10876
-6.659827
-5.140806
5.377646
other
Ca3Al7Cu2
12
166
228.52
mp-1225366
-8.394189
-0.170324
5.223493
other
Dy2Fe1Co3
6
166
93.07
mp-999127
-4.21519
-4.223411
-3.780635
other
Na1Tb1Se2
4
166
102.57
mp-1007907
-5.998844
-3.852753
-1.810611
other
Er1Tl1Te2
4
166
137.68
mp-1215861
-7.885895
0.02093
5.524395
other
Yb2Fe3Cu1
6
166
94.76
mp-1226562
7.152024
8.383598
-0.874978
other
Ce1Pr3O8
12
166
181.36
mp-1018099
0.442659
1.449821
-0.429256
other
Ba2N1Cl1
4
166
113.1
mp-1398703
-3.942865
-0.112916
-4.549632
other
Mg1Ti4S8
13
166
250.06
mp-754756
8.698263
12.48875
-0.374977
other
Li2Ni1O2
5
166
52.35
mp-8211
-5.515108
-3.139797
-2.079906
other
Ga2Ge2Te2
6
166
172.4
mp-757545
11.361235
13.159365
-0.021542
other
Mn12Cr18O40
70
166
797.02
mp-1442990
8.447128
14.703654
-1.011934
other
Ca1Mn4O8
13
166
175
mp-676727
1.011495
1.537013
-5.129771
other
Sr18Th1Cl40
59
166
1,664.71
mp-1104794
-3.808668
1.614312
3.313984
other
Yb4Fe3B6
13
166
195.14
mp-11719
-3.585859
-4.674119
0.697907
other
K4Zn1P2
7
166
239.24
mp-558762
-3.561886
-1.607615
-5.700967
other
K1Sn1S2
4
166
104.99
mp-29176
12.853464
6.169621
-0.783967
other
Na8Si7O18
33
166
381.16
mp-771884
8.805766
14.016109
-1.044339
other
Li4Cr3O8
15
166
149.24
mp-1216248
-4.648508
-0.080279
2.874776
other
V1W1C2
4
166
39.33
mp-753721
8.821198
1.900461
2.515922
other
Gd2O2F2
6
166
82.87
mp-570946
-6.342315
-6.936185
2.802321
other
Na4Li10Sn8
22
166
519.36
mp-754031
10.674495
7.970118
2.65253
other
Y2Br2O2
6
166
127.71
mp-1044160
10.036251
13.882943
-1.104696
other
Mg1Cr4O8
13
166
150.6
mp-1221645
10.902811
12.177996
0.129813
other
Mn4Cd4O8
16
166
192.06
mp-1217332
2.158234
1.645475
1.854379
other
Th2C1N1
4
166
73.63
mp-1217283
-5.460315
-3.725019
-2.65077
other
Te1Pb2S1
4
166
124.17
mp-979428
-6.981048
-4.313387
6.438816
other
Y1Er4Al15
20
166
383.06
mp-675543
-4.595356
-3.182344
-3.616152
other
Bi2Pb1Se4
7
166
209.85
mp-10783
-4.282372
-4.121346
-3.77079
other
Rb1Ho1Se2
4
166
121.3
mp-1001784
-3.944679
-0.440362
-4.840925
other
Li1Ti1S2
4
166
64.79
mp-1226006
-6.160358
-1.881119
4.149653
other
Co1Si4Ni1
6
166
75.86
mp-1227555
-7.53567
-4.298532
0.926539
other
Bi4P1Pd15
20
166
346.74
mp-1395611
-5.286873
-0.86424
-4.36439
other
Ca1Ni4S8
13
166
252.59
mp-1217986
-3.841843
-1.7442
-5.688494
other
Sr1Cd3S4
8
166
180.01
mp-753474
5.962283
13.013458
-2.598523
other
Fe1Co3O8
12
166
137.47
mp-1411625
5.799167
11.962227
-1.893172
other
Mg1Fe4O8
13
166
147.29
mp-849767
8.529839
14.31315
-1.616564
other
Mn6Sn2O16
24
166
302.01
mp-1226355
-5.942391
-0.154659
3.353896
other
Cr2Rh2C1
5
166
55.96
mp-754502
11.56725
8.642185
2.293033
other
Sm1Y1O2
4
166
77.96
mp-1227049
-3.267548
-2.050174
-5.705228
other
Ca1Mg1S2
4
166
82.05
mp-1217683
-7.770536
-4.392514
5.498642
other
Tb2Al3Pt1
6
166
117.27
mp-1226556
2.135813
1.68381
1.909266
other
Ce1Th1N2
4
166
66.91
mp-573376
0.689347
0.871597
-3.634219
other
Lu2C1Cl2
5
166
101.98
mp-1177691
11.817248
12.564214
0.271123
other
Li3Cr5O8
16
166
154.16
mp-769167
11.429252
8.770474
2.115326
other
Eu1Y1O2
4
166
60.98
mp-8014
8.5022
1.647494
-0.176685
other
Rb1Ru1F6
8
166
128.71
mp-18991
6.115757
12.195038
-1.204936
other
Ba2Ni8O16
26
166
364.68
mp-554310
-3.924212
-1.989027
-5.236488
other
Tl1Bi1S2
4
166
109.05
mp-1222723
11.144955
8.620406
2.335665
other
La1U1O4
6
166
83.13
mp-778848
10.511847
9.019362
0.48891
other
In6N2O6
14
166
199.96
mp-554212
-5.362333
-1.415521
-4.154174
other
Tl2Ni3S2
7
166
120.61
mp-31419
10.067963
9.693268
-0.578743
other
La1Sb5O12
18
166
253.76
mp-1106407
-7.685146
0.362242
3.820743
other
Hf3Co9B6
18
166
178.18
mp-754933
9.839167
8.55157
2.492359
other
Sm1Tl1O2
4
166
73.54
mp-1224399
-2.980906
-0.002311
2.856939
other
Hf4C3N1
8
166
97.8
mp-20420
-5.863723
-3.802569
-1.831639
other
K1Gd1Te2
4
166
145.26
mp-1225799
-0.882217
2.09784
-3.864796
other
Cu2I1Br1
4
166
85.75
mp-1222142
17.522556
9.757792
7.468192
other
Mg3Zn1O4
8
166
78.14
mp-754825
9.793973
8.466886
3.186198
other
Na1Tm1O2
4
166
52.5
mp-753298
11.810795
8.900117
1.846295
other
Pr1Y1O2
4
166
62.46
mp-757044
7.673714
13.657555
-1.74104
other
Mn3Ni1O8
12
166
134.7
mp-14206
-4.845589
-5.722732
0.432664
other
K3Ag3As2
8
166
221.65
mp-1218924
-5.890667
-3.50693
-2.197131
other
Sn1Te2Pb1
4
166
134.57
mp-17236
-8.843822
-0.207594
2.410107
other
Ba1Ni12B6
19
166
198.24
mp-9035
-2.610067
-2.701447
-5.793619
other
Na1Lu1S2
4
166
85.81
mp-9273
-5.426978
-5.990084
0.621693
other
K3Sb2Au3
8
166
244.64
mp-1221827
-7.798749
-1.368107
2.8134
other
Mn3Ni4Sn1
8
166
104.9
mp-1179971
-7.616506
0.830568
5.137552
other
Nd2Al2Fe15
19
166
264.84
mp-1222303
-2.665386
-2.714504
-5.723428
other
Li1Nd1S2
4
166
88.23
mp-1247261
0.93447
2.220464
1.62981
other
Ca1Rh1N2
4
166
46.71
mp-1226761
-3.615841
-1.833505
-5.621965
other
Cd1Pb1S2
4
166
95.41
mp-2218599
6.444145
13.529154
-2.157909
other
Mg1Co4O8
13
166
141
mp-1190821
-7.651631
1.029103
4.74818
other
Y2Fe17C3
22
166
269.02
mp-676250
-5.971783
-3.642804
-2.018883
other
Bi2Te4Pb1
7
166
251.83
mp-1078086
-5.448627
-1.735564
-2.969279
other
In2Ni3Se2
7
166
120.02
mp-7863
10.016473
8.837537
0.411621
other
Rb2Sn2O3
7
166
163.01
mp-1096816
-4.18183
-1.405434
-6.054076
other
Al2Zn1S4
7
166
144.23
mp-1228939
12.54718
7.745054
0.667578
other
Al6N2O6
14
166
130.4
mp-1223916
1.281602
2.395122
-5.674448
other
K4Na1Cl5
10
166
304.02
mp-1222143
-7.966421
-6.762877
2.395871
other
Mg3In1Ag4
8
166
146.92
mp-1219429
11.146729
8.847077
3.04734
other
Sc2C1O1
4
166
48.18
mp-559634
-5.731948
-2.609041
-2.174565
other
Ni3Bi2S2
7
166
129.52
mp-1227122
8.175524
8.960155
-1.335928
other
Ca1Ta4O14
19
166
296.42
mp-14796
-4.931538
-2.075055
-3.21068
other
K2Pt4Se6
12
166
310.59
mp-570117
-4.293022
-4.06246
-3.877009
other
Er1Tl1Se2
4
166
114.22
mp-1222125
-5.973029
-10.459619
5.584354
other
Mg4Si1Ge1
6
166
127.84
mp-1216673
-4.719702
-3.580081
0.482055
other
U2C1S1
4
166
74.48
mp-1216801
-6.751893
-2.36875
5.651091
other
U2Al3Fe1
6
166
105.33
mp-1191470
-7.760826
0.620941
4.805215
other
Th2Fe17H3
22
166
265.63
mp-1003402
11.163202
10.897593
0.603708
other
Ca4Mn4O8
16
166
202.74
mp-2210657
12.738497
9.8326
1.512458
other
Mg1Ti1O2
4
166
38.62
mp-1219668
1.462301
1.130042
2.431163
other
Pu1U1N2
4
166
59.4
mp-3525
-5.629092
-3.625677
-2.126091
other
Sb2Te2Se1
5
166
159.64
mp-8946
-2.832153
-0.913942
-5.528819
other
Tl6B6S12
24
166
512.91
mp-1217686
-7.371876
-3.969217
6.214714
other
Tb2Al3Co1
6
166
113.35
mp-997163
9.012566
14.719756
-0.930958
other
Mn1Au1O2
4
166
53.29
mp-1222617
-9.386896
-4.986286
3.832104
other
Li2Zn1Cu3
6
166
82.57
mp-1219926
-3.550299
-2.41359
-5.215573
other
Pb2Se1S1
4
166
112.17
mp-1215442
-6.40736
-3.477928
4.885687
other
Zr2Al3Zn1
6
166
103.58
mp-1178362
10.485648
8.159036
2.839884
other
Dy2Cl2O2
6
166
117.58