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-10782
-4.363408
-4.066173
-3.724099
other
Rb1Tb1Se2
4
166
123.58
mp-999488
-4.215746
-4.230394
-3.825525
other
Na1Dy1Se2
4
166
101.5
mp-1217985
-6.014957
-1.470705
3.950272
other
Ta2Mn1V3
6
166
86.74
mp-1190790
-7.605309
1.086549
4.783284
other
Sm2Fe17N3
22
166
273.22
mp-8927
1.339724
1.967238
2.248046
other
Ta1Cu1N2
4
166
50.36
mp-769630
10.384615
1.005852
1.739752
other
Li2Mn3F8
13
166
176.81
mp-28902
11.663032
11.307179
-0.211221
other
Ba8V7O22
37
166
584.97
mp-15784
-2.730927
-2.584153
-5.682502
other
K1Gd1S2
4
166
106.16
mp-1215358
-3.134791
-0.032892
2.811537
other
Zr4Mo1C5
10
166
125.43
mp-1190263
-8.658736
-0.238529
4.597693
other
Pr2Ga2Co15
19
166
254.59
mp-1043644
10.46162
9.538421
0.172868
other
Mg1Sn4O8
13
166
192.24
mp-867722
11.772562
8.775384
1.872151
other
Pr1Nd1O2
4
166
65.57
mp-1226546
11.381333
8.468549
2.301877
other
Ce1U1O4
6
166
80.78
mp-5662
-7.622985
0.967288
4.731948
other
Ce2Fe17N3
22
166
273.07
mp-775127
5.76217
11.857777
-1.772722
other
Li4Fe3O8
15
166
151.16
mp-1106052
-7.524764
0.6568
5.157732
other
Dy2Al3Fe14
19
166
260.63
mp-30302
1.912205
1.92351
2.526749
other
Hf2Br2N2
6
166
113.26
mp-15782
-2.735636
-2.617868
-5.670125
other
K1Pr1S2
4
166
113.4
mp-1205398
-8.000176
0.625075
3.737712
other
Ce1Co12B6
19
166
186.88
mp-1054555
-6.451128
-7.494298
3.137377
other
Ca1Ce1Hg2
4
166
152.67
mp-1021492
8.884439
1.422147
1.183481
other
Cd4S1F6
11
166
166.41
mp-547864
6.706228
8.825701
-2.245483
other
Cd1C1O3
5
166
70.76
mp-1245796
0.655112
2.214458
2.007213
other
Ca1Re1N2
4
166
46.61
mp-1226343
-6.853195
-0.213577
3.474509
other
Cr1Fe11Si4
16
166
174.68
mp-22596
-5.234215
-2.008372
-3.285517
other
Ni3Pb2S2
7
166
124.53
mp-1178534
2.461313
2.666041
-4.879745
other
Be2Cl2O2
6
166
94.76
mp-1188423
-7.631858
0.872562
5.149701
other
Sm2Al2Fe15
19
166
261.23
mp-756525
7.901072
13.98266
-1.780761
other
Mn3Cu1O8
12
166
141.54
mp-1404648
-5.444568
-0.578842
-4.305124
other
Zn1Co4S8
13
166
223.72
mp-25467
12.777012
10.314456
0.394891
other
Li1W1O2
4
166
45.15
mp-5528
-5.50626
-1.71741
-2.810461
other
Ni3Sn2S2
7
166
114.19
mp-1101455
10.420274
7.971404
2.558769
other
Nd2I2O2
6
166
160.85
mp-8830
8.467516
11.672974
-0.680709
other
Na1Rh1O2
4
166
42.85
mp-675283
8.59567
1.960878
-0.645742
other
Tl1P1F6
8
166
116.27
mp-15788
-2.702149
-2.628871
-5.740577
other
Li1Y1S2
4
166
81.09
mp-571021
-5.932436
-7.036188
2.368618
other
K5In1Pb8
14
166
520.39
mp-1176568
7.672612
13.722233
-1.760162
other
Mn3Ni1O8
12
166
134.68
mp-24081
1.715352
0.421326
-2.319391
other
Sc2H2Cl2
6
166
97.67
mp-15781
-2.723248
-2.594581
-5.575038
original
K1La1S2
4
166
116.44
mp-759974
8.529991
13.310092
-1.251559
other
Na1Fe5O8
14
166
157.07
mp-8260
-2.633812
-2.64688
-5.671993
other
Na1Gd1S2
4
166
92.45
mp-1174492
6.733934
19.84664
-0.324639
other
Li5Mn3O8
16
166
142.15
mp-1007910
-3.222798
-1.997814
-5.436175
other
Na1Eu1S2
4
166
95.51
mp-1216889
-4.903776
-3.685562
1.052052
other
U5P4S1
10
166
211.34
mp-510713
6.617123
9.73886
-2.250751
other
K6Mn4O16
26
166
398.44
mp-531343
12.920035
11.014786
-0.368413
other
Zn12Mo12O32
56
166
639.46
mp-1226573
1.554146
1.414171
2.470421
other
Ce1U4N5
10
166
146.77
mp-999289
-4.241798
-3.994381
-3.935303
other
Pr1Tl1Se2
4
166
126.15
mp-1217311
-3.14292
-3.878388
-2.860332
other
Th1U1S2
4
166
91.03
mp-27986
8.572082
2.201743
-0.133575
other
Np1O2F2
5
166
80.24
mp-1044214
12.962266
10.423326
0.138807
other
Mg1W4O8
13
166
178.56
mp-1215982
-3.702922
-1.864079
-5.024237
other
Yb3Fe3S8
14
166
300.05
mp-1229068
8.675658
12.870646
-2.193735
other
Al1Cr3O8
12
166
141.88
mp-9379
-4.81172
-5.36346
0.519503
other
Sr1Sn2As2
5
166
140.14
mp-7502
10.414695
8.948782
0.731113
other
K2Sn2O3
7
166
148.45
mp-754541
10.048508
8.566973
2.713906
other
Tm1Tl1O2
4
166
66.93
mp-1225069
-8.258082
-2.024573
5.536957
other
Er2Al1Co3
6
166
91.64
mp-5694
-2.610132
-2.671433
-5.745383
other
Na1Ho1S2
4
166
89.14
mp-1227311
9.272313
8.47381
2.020372
other
Ba1Sr1O2
4
166
79.12
mp-1001783
-3.724096
-1.524449
-5.749244
other
Li1Sn1S2
4
166
78.93
mp-1191945
-7.581862
1.061785
4.70843
other
Tb2Fe17N3
22
166
270.31
mp-1220459
-3.692206
-0.173744
2.782123
other
Nb4W1C5
10
166
112.04
mp-1221125
-3.805137
-1.929997
-5.372658
other
Na1Bi1S2
4
166
95.24
mp-1221708
-6.812886
-0.991069
4.162552
other
Mn5Al2V1
8
166
96.95
mp-1215367
-5.171177
-2.29934
-1.111477
other
Zr5Te4P2
11
166
266.96
mp-1043656
7.93556
8.856526
-0.708978
other
Ca1Bi4O8
13
166
246.09
mp-1215578
-4.549137
-1.766451
-6.461327
other
Zn4Cd1S5
10
166
174.56
mp-753013
7.47067
12.83732
-2.184161
other
Co6Te2O16
24
166
261.64
mp-9086
-2.995098
-2.509539
-5.614275
other
Cs1Dy1S2
4
166
116.15
mp-29149
0.914935
2.23135
-3.393919
other
Li4N1Cl1
6
166
74.11
mp-1216810
-6.788886
-2.748397
5.308605
other
U2Mn1Al3
6
166
102.07
mp-19391
12.925002
12.324274
-0.323365
other
Na1V1O2
4
166
41.5
mp-642807
2.502558
-0.190896
-2.133692
other
Tb2H4Br2
8
166
128.79
mp-1188924
-7.517272
0.950803
5.103308
other
Sm2Fe15Si2
19
166
252.62
mp-1229011
-4.766274
-2.546152
-4.056108
other
Ag1Sn1Se2
4
166
92.31
mp-676215
1.247965
1.918089
2.382235
other
Li9Ta11N20
40
166
430.57
mp-1215173
11.710416
8.906898
2.453807
other
Zr1U1O4
6
166
74.14
mp-19340
12.911399
12.813942
-0.493681
other
Li4V4O8
16
166
140.36
mp-755565
10.689282
7.940053
2.600856
other
Ho2Br2O2
6
166
125.08
mp-8584
-4.230058
-4.236121
-3.824843
other
Na1Er1Se2
4
166
99.85
mp-1385949
6.652997
13.797574
-2.113158
other
Ca1Co4O8
13
166
147.77
mp-1224034
-7.436485
-2.017146
6.251925
other
Ho2Al3Fe1
6
166
114.12
mp-28591
-3.429179
-4.846117
0.810988
original
Na4Hg1P2
7
166
181.91
mp-999126
-2.596643
-2.684247
-5.715948
other
Na1Tb1S2
4
166
90.88
mp-12958
11.363143
8.092236
0.733531
other
Ba3Si3O9
15
166
184.4
mp-1221850
-5.373559
-0.764838
-4.807631
other
Mn4Co1S5
10
166
158.09
mp-1245782
0.80647
2.286078
1.869015
other
Ca1Ru1N2
4
166
46.33
mp-1218958
-4.420611
-3.295195
-3.968168
other
Sn1Pb4Se5
10
166
294.68
mp-1215454
-2.857896
-3.228647
-4.906948
other
Yb1Sm1S2
4
166
90.04
mp-1215222
-3.16698
-0.162374
2.768118
other
Zr1Nb1C2
4
166
48.7
mp-14797
-4.854674
-2.149201
-3.209642
other
Rb2Pt4Se6
12
166
327.65
mp-4519
9.36146
8.387579
2.888572
other
K1Pr1O2
4
166
72.31
mp-1402635
-5.431488
-0.591199
-4.260305
other
Ca1Co4S8
13
166
245.83
mp-30091
-3.237711
1.861382
2.760793
other
Mg2B18N2
22
166
173.36
mp-753098
9.940223
0.537287
0.50384
other
Li1Cu1F2
4
166
40.82
mp-35796
12.754491
13.203074
-0.799774
other
Li3V4O8
15
166
153.64
mp-626794
10.720824
5.073133
-3.870723
other
Ni4H8O8
20
166
251.79
mp-977428
-8.016523
-4.535431
5.180463
other
Yb3Al6Cu3
12
166
220.9
mp-754883
9.699714
8.341338
3.194998
other
K1Ho1O2
4
166
63.12
mp-1225525
-7.498665
-1.501251
5.769458
other
Er2Mn3Ga1
6
166
106.59