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-1443338
-5.33472
-0.794015
-4.415253
other
Zn1Ni4S8
13
166
222.9
mp-1218279
-3.928998
-2.901686
-4.510617
other
Sr1Eu1Se2
4
166
120.18
mp-1106409
-6.850788
-4.237453
6.385156
other
Tb4Zr1Al15
20
166
383.23
mp-1101163
11.215182
8.727947
2.452089
other
Yb1Pr1O2
4
166
59.75
mp-1222001
12.336033
11.452525
0.217687
other
Mg1Fe3O4
8
166
81.33
mp-1222297
-2.654815
-2.6811
-5.718579
other
Li1Tb1S2
4
166
81.72
mp-1225618
-9.279992
-4.671697
4.088668
other
Er2Ga6Cu11
19
166
277.43
mp-1215479
-6.435916
-1.89
4.327307
other
Zr2V3Fe1
6
166
96.96
mp-27188
10.763389
12.642854
-0.991535
other
Ba2Cr7O14
23
166
280.88
mp-997160
8.807251
14.485525
-1.115004
other
Mn2Ag2O4
8
166
105.29
mp-1102298
-8.173586
-3.345936
2.408543
other
Eu3B2Pt7
12
166
204.97
mp-9084
-2.971838
-2.522658
-5.643478
other
Cs1Gd1S2
4
166
119.5
mp-1401652
10.529133
12.751729
-3.362734
other
Mg3V2O8
13
166
142.47
mp-580886
1.825192
1.849698
2.507272
other
Zr2I2N2
6
166
132.55
mp-1224327
-6.655828
-3.484302
5.070456
other
Hf2Al3Au1
6
166
103.02
mp-754671
11.624001
8.745883
2.370043
other
Y1Sc1O2
4
166
68.31
mp-1216865
0.379182
1.897785
2.277804
other
Ti1Cr1N2
4
166
36.94
mp-2646991
1.979191
2.124366
1.421524
other
Ca2N1F1
4
166
63.3
mp-999319
-5.956594
-3.902934
-1.77392
other
Nd1Tl1Te2
4
166
147.32
mp-9365
-2.758793
-2.597985
-5.702451
other
Rb1Tb1S2
4
166
110.37
mp-1043618
7.800116
8.892967
-0.84531
other
Mg1Bi4O8
13
166
214.32
mp-7017
1.225983
1.993838
2.171822
other
Na1Nb1N2
4
166
48.32
mp-9369
-3.211292
-2.128243
-5.183743
other
Rb1Yb1S2
4
166
116.57
mp-1215765
-3.185364
-3.770509
-2.931744
other
Y1U1S2
4
166
85.93
mp-20930
10.493877
9.293346
0.044796
other
In1Cu1O2
4
166
54.9
mp-1224247
0.924165
1.408565
2.736264
other
Hf1Zr1N2
4
166
47.17
mp-1225519
2.28019
1.656716
1.924434
other
Dy1Th1N2
4
166
63.94
mp-754163
2.549655
2.688843
-5.006499
other
Be2Cl2O2
6
166
84.96
mp-28961
11.644309
8.142859
-2.244973
other
Co10Ge3O16
29
166
294.25
mp-1277413
7.433961
12.888223
-1.612672
other
Co4Pt4O8
16
166
181.49
mp-24199
9.667177
1.592606
-1.15926
other
Li1H1F2
4
166
32.55
mp-1412720
11.061638
9.108395
0.885596
other
Y2Sn4O8
14
166
234.24
mp-541312
-5.698334
-3.361919
-1.956023
other
Ge3Te6As2
11
166
309.29
mp-9080
-2.968149
-2.548115
-5.609996
other
Cs1Pr1S2
4
166
128.04
mp-1223648
0.508926
1.771182
-5.071077
other
K2Br1Cl1
4
166
134.53
mp-1029359
1.718138
1.7747
2.189725
other
Ca1Hf1N2
4
166
51.89
mp-1216691
-4.472609
-0.222906
3.016267
other
Ti1V1C2
4
166
38.22
mp-1245873
5.117849
2.306437
-2.714156
other
Ge1C1N2
4
166
54.86
mp-756562
7.769192
13.741222
-1.637984
other
Mn3Fe1O8
12
166
142.89
mp-7176
-4.327458
-3.986719
-3.721443
other
Rb1La1Se2
4
166
137.1
mp-1227816
-9.190158
-1.297131
2.817977
other
Ca3Mg2Ni13
18
166
251.41
mp-756635
6.547482
13.103109
-2.254392
other
Co3Bi1O8
12
166
145.61
mp-999121
-6.03004
-3.848623
-1.773203
other
Tb1Tl1Te2
4
166
140.4
mp-1191539
-7.642745
1.017748
4.727872
other
Tb2Fe17C3
22
166
269.79
mp-1215510
-6.7525
-3.196679
4.988563
other
Zr2Al3Co1
6
166
100.18
mp-1018098
0.510264
1.484284
-0.627769
other
Ba2Br1N1
4
166
119.42
mp-1384478
-5.206787
-0.705967
-5.145465
other
Mn4Zn1S8
13
166
238.8
mp-754538
8.013299
10.808681
-0.794611
other
Hg1Pt1O2
4
166
68.74
mp-27869
-3.708239
-4.697835
1.262721
other
Ba2P1Cl1
4
166
143.76
mp-1215827
-5.757811
-3.969846
-1.583222
other
Yb1Gd1Te2
4
166
124.37
mp-578610
12.826035
10.568933
0.249474
other
Na1Mo1O2
4
166
47.26
mp-9201
-6.117993
-6.156996
1.323731
other
K4Ge2Au7
13
166
343.24
mp-571550
-5.379498
-3.592542
-2.349396
other
Sb2Te1Se2
5
166
153.35
mp-7046
-2.792226
-2.549718
-5.691378
other
Rb1Dy1S2
4
166
109.19
mp-1218275
-5.74731
-3.971796
-1.88585
other
Sr1Eu1Te2
4
166
147.16
mp-8013
8.559644
1.787061
-0.33157
other
K1Ru1F6
8
166
118.13
mp-30898
-9.013642
-1.953565
4.001624
other
Ce4B4Ir10
18
166
278.14
mp-2647007
2.151603
2.107718
1.19169
other
Mg6N3Cl3
12
166
172.05
mp-1224468
-3.048674
-0.03933
2.770833
other
Hf4U1C5
10
166
129.85
mp-1182265
-7.695673
0.825796
5.085623
other
Ce2Ga2Fe15
19
166
262.58
mp-1221073
-2.815782
-2.6379
-5.18412
other
Na1Ce1S2
4
166
99.43
mp-1190803
-6.982381
-4.351886
6.434804
other
Gd1Er4Al15
20
166
383.85
mp-1078703
-4.875308
-4.928618
0.119981
other
Na1Zn4As3
8
166
167.4
mp-1295388
12.156102
7.943911
-0.513985
other
Al8Ni4O16
28
166
263.3
mp-9366
-2.733384
-2.622235
-5.742046
other
Rb1Ho1S2
4
166
108.08
mp-1390795
8.543479
14.821772
-1.008248
other
Mg1Mn4O8
13
166
153.31
mp-640899
-9.320542
-5.123609
4.29762
other
Ce4Zn4Cu10
18
166
298.03
mp-999455
-2.651438
-2.695578
-5.663621
other
Na1Sm1S2
4
166
94.52
mp-755946
11.790096
13.352982
-2.030176
other
V6Zn4O16
26
166
297.51
mp-561751
-2.911269
-2.62775
-5.630744
other
Cs1Er1S2
4
166
113.95
mp-1041676
11.112453
9.362695
0.177774
other
Zn2Sn4O8
14
166
225.51
mp-1227005
-6.617921
-2.781164
6.530712
other
Ce2Al41Mo3
46
166
782.32
mp-752949
7.84476
2.454383
0.983958
other
Bi2O2F2
6
166
108.59
mp-754156
8.730548
14.034781
-1.574218
other
Mn3Sb1O8
12
166
155.3
mp-1105042
-3.838077
1.576655
3.003473
other
Dy5Co2B6
13
166
196.26
mp-13313
-4.175123
-4.008857
-3.934692
other
Sc1Tl1Se2
4
166
104.88
mp-850808
6.450614
14.371685
-1.776929
other
Li6Co8O16
30
166
284.99
mp-999138
-2.834067
-2.556599
-5.684669
other
Sm1Tl1S2
4
166
109.63
mp-29662
-4.710937
-3.081758
-3.74443
other
Tl1Bi1Se2
4
166
120.46
mp-1102538
6.49079
13.166534
-2.159663
other
Co4Cl2O6
12
166
159.03
mp-3890
-7.71068
0.906399
5.063768
other
Sm2Cr2Fe15
19
166
255.71
mp-2219138
7.05386
11.067569
-1.060543
other
Mg1Cu4O8
13
166
143.45
mp-16472
-3.295418
-2.065638
-5.320583
other
Yb1Tl1S2
4
166
97.91
mp-759473
11.744475
11.468242
2.012404
other
Na5Ti3O8
16
166
178.27
mp-999489
-4.254883
-4.121304
-3.813189
other
Na1Gd1Se2
4
166
104.15
mp-1225055
-8.666292
-0.65574
5.042946
original
Er2Co3Cu1
6
166
92.52
mp-7976
9.430206
8.332128
2.583359
other
Rb1Gd1O2
4
166
70.87
mp-9076
-2.601864
-2.738253
-5.763726
other
Na1Tm1S2
4
166
87.41
mp-1225452
-6.385194
-5.380996
5.53126
other
Eu2Al3Ga1
6
166
130.76
mp-29484
-4.509327
-5.898219
0.505188
other
K4Hg1As2
7
166
267.17
mp-1104685
-4.120666
1.789592
3.1833
other
Tb4Fe3B6
13
166
180.61
mp-19359
7.828079
13.489556
-0.954763
other
Na1Fe1O2
4
166
42.1
mp-20693
10.647585
12.536507
-0.620265
other
In1Fe2O4
7
166
87.14
mp-1406755
-5.463791
-0.568306
-4.224582
other
Mg1Co4S8
13
166
216.49
mp-1400988
-4.753897
0.213659
-4.738643
other
Ca1V4S8
13
166
258.57
mp-8002
11.568649
8.574616
-0.196945
other
Li1Ga1O2
4
166
36.82
mp-1217323
-2.585921
0.281209
2.604155
other
Th1U1C2
4
166
67.21
mp-1219777
-2.549825
0.077807
2.632527
other
Pu4Zr1C5
10
166
148.87
mp-1106291
-8.282115
-0.462313
4.533945
other
Pr2Al3Co14
19
166
254.42
mp-1217924
-3.778582
-0.27276
2.912574
original
Ta1Nb1C2
4
166
45.2