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-652425
-6.799426
-0.394943
3.88659
other
Li2Fe12Ge10
24
166
316.76
mp-1222731
1.588885
1.473322
2.403444
other
La1U1N2
4
166
65
mp-755219
10.512007
8.650827
2.8706
other
Sc1Tl1O2
4
166
59.95
mp-1095351
-3.274869
1.47314
2.802113
other
Np3B6C3
12
166
131.89
mp-8226
5.757144
2.117123
2.070383
other
Th2N2F2
6
166
94.18
mp-752931
10.202565
0.895971
1.555265
other
Li2Mn1F4
7
166
83.68
mp-1221814
9.666311
13.277627
-0.872949
other
Mn1Fe5O8
14
166
159.88
mp-4240
-5.664531
-3.834346
-1.57959
other
Rb1Ce1Te2
4
166
162.99
mp-569689
-3.595418
-4.281997
0.815337
other
Eu2P1I1
4
166
128.64
mp-768634
10.448062
13.943558
-0.501159
other
Li6Cr8O16
30
166
295.66
mp-9263
-5.874446
-3.7969
-1.814093
other
K1Er1Te2
4
166
140.23
mp-1247154
0.822282
2.578292
1.971846
other
Mg1Mn1N2
4
166
36.48
mp-19804
-6.666402
-1.21075
1.941199
other
In2Co3S2
7
166
110.17
mp-1216095
-7.553295
-0.847116
5.649194
other
Y2Mn3Fe1
6
166
99.41
mp-532020
12.231357
11.037521
-1.155096
other
Na16W19O57
92
166
1,132.11
mp-1189316
8.213608
8.939124
-1.318802
other
Ba1Ta4O14
19
166
304.78
mp-15795
-4.264048
-4.227374
-3.867113
other
Li1Dy1Se2
4
166
91.79
mp-685341
8.293783
10.791633
0.451835
other
Bi32Ru32O110
174
166
2,222.9
mp-1067280
-4.291914
-4.012936
-3.944926
other
Tm1Tl1Se2
4
166
113.21
mp-5808
-5.890152
-3.832161
-1.685378
original
Rb1Nd1Te2
4
166
159.2
mp-7959
9.808104
8.406968
3.231639
other
K1Er1O2
4
166
62.11
mp-2234128
8.996046
14.769279
-1.009822
other
Mn4Cu2O8
14
166
151.32
mp-1222572
1.971177
2.051746
1.308231
other
Li7Cu2N3
12
166
128.15
mp-1226979
9.619757
9.112277
2.59504
other
Ce3Sn1O8
12
166
157.4
mp-9382
1.85512
1.793292
2.106202
other
Sr1Zr1N2
4
166
58.47
mp-23896
2.129774
-0.014869
-1.886545
other
Lu2H2Cl2
6
166
104.4
mp-1094008
-4.111628
-1.375356
-5.945206
other
Zn1Ga2S4
7
166
148.89
mp-1400230
12.813213
10.035074
0.408836
other
Al2W4O8
14
166
165.59
mp-1200351
13.604206
4.589553
-2.348346
other
B12Pb6O25
43
166
684.37
mp-19405
7.221654
11.443659
-1.166781
other
Ni1Ag2O2
5
166
61.89
mp-28554
-0.597176
1.432831
-2.091232
other
Ca2As1I1
4
166
124.72
mp-1216123
-7.359025
-2.2258
6.231168
other
Y2Al3Fe1
6
166
116.41
mp-973185
10.539876
9.223315
2.950166
other
Sc1Ag1O2
4
166
55.45
mp-996952
9.582099
9.159936
2.435535
other
La1Au1O2
4
166
77.43
mp-8175
7.700753
8.836411
-0.449238
other
K1Tl1O2
4
166
63.03
mp-3056
7.23515
9.543536
-0.613962
other
Na1Tl1O2
4
166
53.61
mp-1219738
-2.916372
-3.797219
-3.509421
other
Pr1Sm3S4
8
166
185.05
mp-1216383
-4.972317
-0.006134
2.954879
other
V1Cr1C2
4
166
35.03
mp-1219469
-7.395559
-4.066468
1.341377
other
Sb1Pd6Se1
8
166
132.23
mp-1174553
5.693942
21.053402
-0.538427
other
Li5Mn3O8
16
166
150.07
mp-1224296
0.639966
1.521499
2.659667
other
Hf1Ta1N2
4
166
44.76
mp-1215247
0.770362
1.572673
2.639148
other
Zr1Ta1N2
4
166
45.97
mp-1245876
5.527544
2.280914
-2.954167
other
V1C1N2
4
166
36.89
mp-1215218
-4.068737
-0.008383
2.949991
other
Zr1Mo1C2
4
166
46.62
mp-1076928
-3.535088
-1.964459
-5.277074
other
Cs1Eu1S2
4
166
126.27
mp-36329
10.858159
9.257165
1.875182
other
Sr1U1O4
6
166
82.31
mp-865990
-7.342259
-4.442976
6.101488
other
Y3Al7Cu2
12
166
218.92
mp-22660
10.143228
8.899208
-0.370769
other
In1Ag1O2
4
166
59.18
mp-1229000
-4.478454
-2.637646
-3.726089
other
Ag1Sb1Se2
4
166
95.24
mp-997161
7.323853
13.597646
-1.893519
other
Co1Au1O2
4
166
43.86
mp-1006242
-9.065783
-1.535234
2.864554
other
Eu2In2Ni10
14
166
203.14
mp-4123
-2.743512
-2.65366
-5.779256
other
Er1Tl1S2
4
166
102.41
mp-1224527
1.620193
1.4955
2.417985
other
Gd1U1N2
4
166
60.21
mp-9370
-2.822408
-2.56177
-5.73818
other
Rb1Lu1S2
4
166
103.99
mp-20289
-3.821513
-1.59367
-5.70497
other
Na1In1S2
4
166
83.64
mp-1227261
-3.122143
-2.325965
-5.389773
other
Ca1Eu1S2
4
166
97.91
mp-1222342
-7.404677
-1.922058
6.152251
other
Lu2Al3Fe1
6
166
109.95
mp-1104444
-3.843372
1.645985
2.952952
other
Dy4Co3B6
13
166
178.98
mp-1392820
8.482787
14.732128
-1.198121
other
Mn4Zn1O8
13
166
155.46
mp-1217932
0.556179
1.510973
2.764794
other
Ta1Nb1N2
4
166
43.76
mp-1219468
-7.464945
-4.118175
1.210875
other
Sb1Pd6S1
8
166
128.85
mp-1216616
0.139532
2.155506
2.342474
other
V2C1N1
4
166
35.7
mp-17587
-9.276815
-1.823446
3.136156
other
Ce4Zn4Ni10
18
166
273.01
mp-780322
6.244669
13.849355
-2.218843
other
Li2Co8O16
26
166
256.81
mp-1221389
-7.758433
-1.647179
2.626215
other
Mn5Ni8Sn3
16
166
212.78
mp-1029267
1.841431
1.774632
2.124373
other
Ca1Zr1N2
4
166
53.33
mp-1392899
12.922652
10.807661
0.053861
other
Mg2Mo4O8
14
166
178.2
mp-12335
5.288629
2.074074
-3.033478
other
Mn1C1N2
4
166
47.04
mp-1220438
0.509312
1.904127
2.435845
other
Nb1Mo1N2
4
166
42.76
mp-754960
10.595398
7.976396
2.60481
other
Sm2I2O2
6
166
154.01
mp-997167
7.233214
12.373444
-1.33905
other
Ni1Au1O2
4
166
45.62
mp-1223752
0.955933
2.127864
-5.482354
other
K5Br1Cl4
10
166
337.05
mp-1179373
10.900575
9.281692
1.986197
other
Sr1U1O4
6
166
84.61
mp-1215477
-6.675263
-3.425409
4.945039
other
Zr2Al3Ni1
6
166
99.23
mp-1178920
8.672953
11.507768
-0.902973
other
Tl2Fe2O4
8
166
153.06
mp-756833
8.850021
13.487706
-1.544642
other
Mn3Te1O8
12
166
157.38
mp-999474
-4.179242
-4.256601
-3.839469
other
Na1Ho1Se2
4
166
100.77
mp-1067744
-4.283636
-3.951499
-3.930665
other
Y1Tl1Se2
4
166
116.67
mp-1299294
5.850353
11.328596
-0.53137
other
Sr4Ni4O12
20
166
238.48
mp-1218182
16.35623
10.022492
7.066245
other
Sr1Mg1O2
4
166
53.87
mp-1226555
-2.208708
0.355961
2.362929
other
Ce1Th1C2
4
166
73.62
mp-999137
-4.349773
-3.878944
-3.874603
original
Sm1Tl1Se2
4
166
121.24
mp-8752
-3.537638
-4.833802
0.819134
other
Na4Cd1P2
7
166
183.22
mp-18913
8.805758
10.768097
-2.610169
other
Ba3Cr2O8
13
166
206.28
mp-1444362
-5.474911
-0.585831
-4.275067
other
Mg1Co4S8
13
166
228
mp-12442
8.274801
1.599152
-0.642022
other
K1Au1F6
8
166
118.81
mp-19747
-5.320257
-2.325282
-2.846499
other
Ni3Pb2Se2
7
166
136.89
mp-1225019
9.332253
13.180116
-1.021516
other
Fe5Ni1O8
14
166
155.23
mp-1044215
9.970634
13.81899
-1.199457
other
Zn1Cr4O8
13
166
151.49
mp-5475
1.364768
2.013149
2.208638
other
Na1Ta1N2
4
166
47.62
mp-4632
13.329846
5.536516
-5.873491
other
Sr3P2O8
13
166
166.14
mp-1011710
9.778434
14.125733
-0.463542
other
Mn4Al2O8
14
166
152.96
mp-1225749
8.086813
12.258604
-0.976304
other
Cu1Ni1O2
4
166
37.7
mp-1226906
-7.966648
0.089516
5.660504
other
Ce2Fe3Rh1
6
166
95.21
mp-8188
10.078988
8.539575
3.244332
other
K1Sc1O2
4
166
54.89
mp-997025
7.64708
9.090693
-1.176391
other
Pb1Au1O2
4
166
76.09
mp-1105171
-4.180966
1.906601
3.179418
other
Ce5Fe2B6
13
166
194.62
mp-1227733
8.725599
1.734421
1.517108
other
Ba1Sn1F4
6
166
112.98
mp-754392
9.604023
8.686007
2.153936
other
Ba1Eu1O2
4
166
76.32
mp-554304
-6.78281
-4.047186
-0.172848
other
Bi2Pd3S2
7
166
150.48