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-753591
6.41979
11.874579
-1.361634
other
Mg3Fe3O8
14
166
152.68
mp-1106267
-8.713281
-0.183565
2.394158
other
Y1Ni12B6
19
166
192.36
mp-972662
-7.658068
1.032294
4.815
other
Sm2Fe17C3
22
166
273.12
mp-19799
8.268919
1.244163
-0.255234
other
Ba1Pb1F6
8
166
127.13
mp-1402444
12.530978
11.822368
1.869017
other
Ti4Zn1O8
13
166
155.52
mp-1070099
-4.733584
-5.069637
0.258341
other
Ca1Ga2As2
5
166
114.83
mp-1218023
-4.169017
-0.15884
3.031702
other
Ta4W1C5
10
166
111.1
mp-1225300
-7.380294
-4.154724
6.201235
other
Dy2Al3Co1
6
166
113
mp-1103030
6.525191
12.512918
-1.881988
other
Fe4Cl2O6
12
166
170.97
mp-1390608
-5.321187
-0.793367
-4.408025
other
Zn1Ni4S8
13
166
226.62
mp-1078054
-7.399556
-2.755728
1.619143
other
Sn2Rh3S2
7
166
124.68
mp-1224815
-6.161336
-3.03675
-2.350024
other
Ga1Cu1Te2
4
166
93.03
mp-1191073
-7.78999
0.737468
4.899772
other
Pr2Fe17H3
22
166
270.19
mp-1205466
-7.540921
0.408774
5.148629
other
Sm2Ga5Fe12
19
166
275.69
mp-1208019
-5.288846
-1.935038
-3.845716
other
Tl1Cr1Se2
4
166
102.89
mp-505492
9.012197
0.320897
0.504161
other
Cs3Ni3F9
15
166
253.08
mp-1220659
0.838911
1.621355
2.700441
other
Nb3Al1N4
8
166
83.55
mp-1226740
-5.983431
-3.478328
-2.215204
other
Cd1Sn1Te2
4
166
123.76
mp-1018137
-3.295647
-1.90358
-5.397562
other
K1Eu1S2
4
166
110.59
mp-9036
-5.886413
-3.852866
-1.761874
other
K1Sm1Te2
4
166
147.95
mp-1201765
2.977394
-0.136139
-1.697797
other
Er8Fe16H24
48
166
449.86
mp-705834
8.818585
13.228877
-1.130428
other
Ba2Fe30O46
78
166
851.77
mp-1226497
7.480385
8.423796
-0.025793
other
Ce1Pr1O4
6
166
87.36
mp-4573
-5.843091
-3.604269
-2.227135
other
Tl1Sb1Te2
4
166
136.57
mp-18898
6.074453
12.375193
-1.248213
other
Sr2Ni8O16
26
166
339.67
mp-1218938
-4.455718
-3.173644
-4.045523
other
Sn1Pb1Se2
4
166
113.57
mp-755544
9.949872
8.638403
2.636138
other
Y1Tl1O2
4
166
69.46
mp-1176616
7.727464
13.793816
-1.656095
other
Mn3Fe1O8
12
166
142.37
mp-1245746
2.013988
2.238665
1.340388
other
Na1Sb1N2
4
166
51.8
mp-571461
-4.459088
-5.645626
0.459653
other
K4Zn1As2
7
166
255.47
mp-13166
7.252446
8.745755
-1.407358
other
Yb1Ag1O2
4
166
66.05
mp-8015
8.435654
1.502331
0.002109
other
Cs1Ru1F6
8
166
145.04
mp-1077922
-7.624377
-2.691031
1.551425
other
Tl2Rh3S2
7
166
132
mp-1191845
-8.555098
0.017986
4.071899
other
Y2Co17H3
22
166
245.34
mp-1178135
9.676702
8.471007
3.303994
other
K1Lu1O2
4
166
59.79
mp-505158
-2.918225
-2.582743
-5.654152
other
Cs1Ho1S2
4
166
115.05
mp-555850
8.212787
2.244231
2.619705
other
Lu2S2F2
6
166
109.29
mp-1227235
-3.605387
-1.868676
-5.593902
other
Ca1Cd1S2
4
166
88.3
mp-1221512
-6.408872
-0.860178
3.246669
other
Mo2Ir2C1
5
166
67.82
mp-1101762
-7.586931
-5.098957
5.653164
other
Pr3Al6Ag3
12
166
248.48
mp-15785
-2.715472
-2.610093
-5.674398
original
K1Dy1S2
4
166
103.13
mp-542791
1.949904
1.970457
2.416667
other
Zr2N2Cl2
6
166
107.67
mp-1206735
8.191061
0.915056
1.01056
other
Cs3Sb1F6
10
166
409.63
mp-754158
9.498142
8.292272
2.983775
other
K1Nd1O2
4
166
70.82
mp-753483
5.969251
13.125857
-2.397328
other
Co6Ni2O16
24
166
252.89
mp-1181356
7.389929
7.894053
-3.773472
other
Ga3S2O15
20
166
255.67
mp-1223443
-3.912184
-1.927301
-5.342025
other
K1Bi1S2
4
166
108.99
mp-28302
-3.650366
-4.808102
0.728633
other
K4Cd1P2
7
166
252.72
mp-1246819
5.098409
2.119805
-2.590944
other
In1C1N2
4
166
60.67
mp-11742
-5.852521
-3.849231
-1.641818
other
Cs1Nd1Te2
4
166
169.13
mp-16484
-8.474898
-0.305894
4.53986
other
Ce2Al2Co15
19
166
247.18
mp-1218913
-3.325304
-4.05934
-3.124968
other
Sm1Y1Se2
4
166
98.76
mp-1175466
4.510914
18.987473
-1.808226
other
Li9Co7O16
32
166
276.16
mp-1393022
12.065867
12.085979
0.15504
other
Al2Cr4O8
14
166
151.29
mp-5693
-5.409221
-0.417402
-5.844824
other
Na1Cr1S2
4
166
71.22
mp-19366
10.625722
11.883215
0.289757
other
Lu1Fe2O4
7
166
88.22
mp-25373
8.243928
17.201847
-0.151025
other
Li1Mn1O2
4
166
38.63
mp-554332
9.261271
0.986503
0.232884
other
Sr1Cr1F6
8
166
99.41
mp-3915
8.871531
8.874254
0.237506
other
Ba1Hg1O2
4
166
97.47
mp-756398
8.461417
14.094133
-1.832122
other
Mn3V1O8
12
166
143.3
mp-9089
-2.941252
-2.59552
-5.66687
other
Cs1Tm1S2
4
166
112.77
mp-546552
11.318496
12.573961
0.010016
other
K1Cr1O2
4
166
48.18
mp-1221790
-6.199341
-2.553196
-2.311387
other
Mn2Te1Se1
4
166
86.14
mp-1221102
-6.049541
-3.67943
-1.972717
other
Na1Bi1Te2
4
166
131.93
mp-23040
-0.651796
0.98909
-1.821902
other
Ca2P1I1
4
166
119.47
mp-1216070
-7.607374
-1.061547
5.513272
other
Y2Mn3Co1
6
166
97.83
mp-1222200
-4.793532
-3.049798
-3.928045
other
Mg1In2Se4
7
166
195.67
mp-1192166
-4.551237
-6.63174
1.503574
other
Cs12Tl6O3
21
166
931.38
mp-15790
-2.647476
-2.666661
-5.768021
other
Li1Ho1S2
4
166
79.99
mp-1227948
8.149255
9.173307
-1.239749
other
Ba1Nb4O14
19
166
311.41
mp-1223647
-5.940297
-3.407478
-1.999246
other
In1Ge1Te2
4
166
115.98
mp-27980
8.570115
2.05105
0.40854
other
U1O2F2
5
166
80.89
mp-15789
-2.633859
-2.653406
-5.75598
other
Li1Dy1S2
4
166
80.81
mp-756482
7.655455
13.880449
-1.853551
other
Mn3Co1O8
12
166
136.24
mp-578601
12.929082
10.060235
1.830021
other
Na1Nb1O2
4
166
45.55
mp-569831
-2.258676
0.196179
2.465506
other
Zr3Al4C6
13
166
160.4
mp-773602
6.487845
13.589601
-2.338734
other
Mn1Co3O8
12
166
133.51
mp-999269
-5.88553
-3.837976
-1.705385
other
Rb1Sm1Te2
4
166
155.65
mp-29404
-0.417001
0.543669
-2.534243
other
La2C1Cl1
4
166
94.43
mp-1219007
-2.906771
-3.762653
-3.536674
other
Sm1Gd1S2
4
166
89.1
mp-1215915
-3.124096
-3.900798
-3.355513
other
Y1Sc1S2
4
166
77.68
mp-1191478
-7.647368
0.999557
4.671083
other
Tm2Fe17C3
22
166
265.91
mp-867735
11.803154
8.77621
1.770238
other
Pr1Sm1O2
4
166
65.14
mp-1223313
1.264722
2.214873
-5.586573
other
K1Na1Cl2
4
166
104.79
mp-1221480
-6.460423
-0.424591
3.204742
other
Mo2Rh2C1
5
166
66.56
mp-996996
11.097928
12.851744
-0.297772
other
Cr1Au1O2
4
166
48.14
mp-1221805
-5.288364
-0.720141
-4.887549
other
Mn4Fe1S5
10
166
162.94
mp-1385133
6.482366
13.703109
-2.190681
other
Mg1Co4O8
13
166
133.84
mp-771970
7.630898
13.891569
-1.872263
other
Mn3Co1O8
12
166
137.35
mp-755714
9.788619
8.736606
2.025799
other
Sr1Eu1O2
4
166
67.04
mp-7479
7.250561
8.765633
-1.103685
other
Rb1Yb1O2
4
166
70.26
mp-1188855
-8.477311
-0.77687
4.963523
other
Sm4Ga4Co10
18
166
277.92
mp-4124
4.743766
1.959278
-2.499229
other
Ca1C1N2
4
166
58.33
mp-1446023
-5.187105
-0.667658
-4.461548
other
Zn1Fe4S8
13
166
233.04
mp-1216466
-4.810311
-0.178342
2.938907
other
V4W1C5
10
166
93.18
mp-1190200
-7.734096
1.158576
4.800955
other
Sm2Fe17B3
22
166
278.89
mp-1188192
-7.717924
0.925464
5.084506
other
Sm2Mn2Fe15
19
166
255.62
mp-849241
6.254719
13.501916
-1.316968
other
Li5Ni5O10
20
166
173.32
mp-1398414
-5.36593
-0.803923
-4.366633
other
Mg1Ni4S8
13
166
232.18
mp-773010
9.546923
13.210958
-0.920146
other
Li1Fe23O32
56
166
629.81