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-1190065
-8.671488
-0.240398
4.57462
other
Nd2Ga2Co15
19
166
253.45
mp-1066131
-2.803491
-2.556956
-5.761768
other
Y1Tl1S2
4
166
104.79
mp-690495
10.91053
12.533888
-0.572042
other
Fe5Sn1O8
14
166
165.95
mp-1215587
-3.513568
1.865352
2.868927
other
Yb1Lu1B24
26
166
208.79
mp-754567
6.783873
8.780924
-1.641126
other
Na1Cd1O2
4
166
53.86
mp-772295
10.672276
8.108863
2.979469
other
Tm2Cl2O2
6
166
112.06
mp-568592
1.950569
1.967692
2.41744
other
Zr2N2Cl2
6
166
108.66
mp-1190701
-7.793356
0.672051
4.772841
other
Ce2Fe17H3
22
166
262.39
mp-1221953
9.263466
12.452217
-0.36402
other
Mg2Ni2O4
8
166
73.29
mp-1017508
-5.978413
-3.820449
-1.864717
other
Lu1Tl1Te2
4
166
134.81
mp-1224332
-7.50216
-3.955267
1.483897
other
In1As4Pd15
20
166
314.71
mp-1220446
0.229351
1.811091
2.521855
other
Nb1V1N2
4
166
39.82
mp-8753
-3.520318
-4.894538
0.774824
other
K4Hg1P2
7
166
251.29
mp-1215506
-7.578681
-1.150298
4.512403
other
Zr2Cr1Co3
6
166
86.82
mp-1225288
-7.487356
-4.65968
6.173788
other
Dy2Al3Cu1
6
166
114.18
mp-1221101
-4.713818
-3.113957
-3.580353
other
Na1Bi1Se2
4
166
107.47
mp-676315
-0.921542
1.142391
-1.703769
other
Y2Ge1I2
5
166
167.65
mp-753774
9.762794
8.381973
3.112524
other
K1Tm1O2
4
166
61.29
mp-543029
-1.20567
1.056108
-1.40178
other
La2Te1I2
5
166
200.56
mp-1389627
-5.220952
-0.668331
-4.495543
other
Zn1Fe4S8
13
166
220.44
mp-14790
-5.665264
-3.383624
-1.823887
other
Ge1Te4As2
7
166
199.68
mp-1077840
-5.979608
-3.540848
-2.069936
other
Mn1Bi2Te4
7
166
224.71
mp-1386665
12.95884
10.833663
-0.096535
other
Zn2Mo4O8
14
166
178.06
mp-1077854
-7.065791
-3.048519
1.545019
other
Rh3Pb2Se2
7
166
140.96
mp-1444514
-5.19943
-0.647375
-4.434643
other
Mg1Fe4S8
13
166
218.07
mp-1225516
-2.821841
-2.568346
-5.864363
other
Er1Ag1S2
4
166
85.26
mp-14115
8.558366
12.078093
-0.608984
other
Li1Rh1O2
4
166
37.47
mp-8969
-6.411609
-1.275284
1.147765
other
Mg2Ni3P1
6
166
75.5
mp-1191404
-7.649507
0.93978
4.7528
other
Ce2Fe17C3
22
166
274.52
mp-7476
9.635561
8.416682
2.86851
other
Rb1Dy1O2
4
166
68.17
mp-1383237
5.834168
12.117586
-1.910179
other
Zn1Fe4O8
13
166
149.65
mp-558655
11.40943
10.925882
-0.671703
other
Re6Pb3O18
27
166
356.62
mp-758251
9.452021
0.539928
0.184999
other
Li5Ag1F8
14
166
155.86
mp-27916
-4.591554
-2.89287
-3.719229
other
Ag3Bi3Se6
12
166
297.74
mp-1080243
11.849099
11.741615
0.170932
other
Mg1Mn1O2
4
166
40.5
mp-9085
-2.934382
-2.5716
-5.610322
other
Cs1Tb1S2
4
166
117.44
mp-1106025
-5.966228
-3.682211
-1.948727
other
Bi6Te10Pb1
17
166
603.23
mp-1444394
10.013378
13.698692
-0.939967
other
Ca1Cr4O8
13
166
168.63
mp-768709
8.120308
14.105755
-1.740563
other
Mn3Bi1O8
12
166
161.08
mp-1105098
-3.833413
1.70059
2.963429
other
Er4Co3B6
13
166
176.37
mp-996994
9.031644
13.305322
-0.99153
other
Fe1Au1O2
4
166
49.56
mp-1216688
-4.964083
-3.621324
0.32752
other
U2As1S1
4
166
94.08
mp-5588
8.939485
1.415547
1.164368
other
Ba1Si1F6
8
166
104.47
mp-1246591
0.519504
2.460285
1.745933
other
Co2Cu1N2
5
166
52.19
mp-3332
-5.278059
-2.073647
-3.905235
other
Na1Cr1Se2
4
166
82.74
mp-25372
7.336702
12.766129
-0.893239
other
Li1Cu1O2
4
166
35.86
mp-15779
-7.965448
-1.682833
2.970805
other
Mg2Si1Ni3
6
166
77.52
mp-10214
-8.404212
-2.924009
4.328379
other
Y2Ge1Rh3
6
166
106.12
mp-1219523
-4.603459
-0.153977
3.070928
other
Re1Mo1C2
4
166
41.56
mp-607310
8.885384
11.499965
-0.756437
other
Tl2Fe2O4
8
166
165.5
mp-8793
-4.060576
1.631596
3.17146
other
Nd5Fe2B6
13
166
212.88
mp-1063607
10.735799
12.890341
-0.374487
other
Cr4Pd4O8
16
166
180.86
mp-570319
2.295582
-0.632052
-1.26205
other
Y3Co9H6
18
166
193.01
mp-7914
10.170654
8.496449
3.342394
other
Na1Sc1O2
4
166
46.68
mp-755338
10.682548
11.576315
0.412974
other
Sm1Fe2O4
7
166
92.86
mp-4384
-2.821386
0.444179
-0.107472
other
Nb2C1S2
5
166
84.15
mp-756043
8.644658
13.950221
-1.572173
other
Mn3Cr1O8
12
166
140.75
mp-1105834
-8.697459
-0.160742
2.415082
other
Dy1Ni12B6
19
166
191.86
mp-27682
-3.625547
-1.584274
-5.761102
other
Na1Sn1S2
4
166
90.57
mp-561786
9.869827
9.526952
-1.750406
other
Cs2Te4O12
18
166
282.39
mp-755584
10.652392
12.751021
-0.348188
other
Cr1Pt1O2
4
166
45
mp-999135
1.412789
1.888863
2.318885
other
Ta1Cu1N2
4
166
43.4
mp-569393
-4.40982
-3.815047
-3.886549
other
Gd1Tl1Se2
4
166
118.89
mp-1105128
-7.956921
0.645234
3.721184
other
Ho1Co12B6
19
166
184.72
mp-14093
8.706307
2.015747
2.286006
other
Tb2O2F2
6
166
79.56
mp-7972
9.468586
8.36075
2.66381
other
Rb1La1O2
4
166
78.86
mp-1221782
-5.296981
-2.062451
-3.850124
other
Mn4V1Se5
10
166
197.25
mp-1223792
-6.089479
-3.299498
-2.276391
other
In1Ag1Te2
4
166
111.23
mp-3613
-2.592474
-2.71394
-5.750474
other
Na1Er1S2
4
166
88.13
mp-1221701
-5.246203
-0.334743
-4.900113
other
Mn1V1S2
4
166
65.4
mp-19317
8.216291
12.897739
-0.737426
other
Yb1Fe2O4
7
166
89.12
mp-754344
6.353246
9.019158
-2.107806
other
Li1Zn1O2
4
166
37.74
mp-997181
12.706982
13.102418
-0.825172
other
V1Cu1O2
4
166
46.23
mp-1223828
-6.717595
-3.274913
5.266379
other
Hf2Al3Ni1
6
166
96.22
mp-1394733
-5.370029
-0.798476
-4.378296
other
Mg1Ni4S8
13
166
227.16
mp-1215233
-3.449789
-0.251163
2.83143
other
Zr1Nb3C4
8
166
94.66
mp-866951
-3.342832
-1.610511
-5.584695
other
Ca3Sn3S9
15
166
373.5
mp-1227407
-5.75181
-3.82469
-1.901157
other
Bi2Sb2Te3
7
166
234.54
mp-755183
9.892028
8.537602
2.569853
other
Dy1Tl1O2
4
166
69.26
mp-654812
7.188283
5.772431
-2.297026
other
Cd1C1O3
5
166
64.93
mp-1105562
-8.00074
0.67511
3.740062
other
Pr1Co12B6
19
166
188.49
mp-1106171
-8.680083
-0.158921
2.38048
other
Gd1Ni12B6
19
166
193.31
mp-1406738
-5.24087
-0.76818
-5.083604
other
Ca1Mn4S8
13
166
245.86
mp-19171
10.778749
11.796783
0.250484
other
Y2Fe4O8
14
166
174
mp-1041352
6.487088
13.435965
-2.120389
other
Zn1Co4O8
13
166
148.16
mp-1220406
-4.03272
-0.012593
2.816211
other
Nb1Mo1C2
4
166
43.85
mp-29474
1.176079
1.825131
-4.428579
other
Na2Ti3Cl8
13
166
309.67
mp-752738
5.981644
13.154822
-2.366242
other
Co6Ni2O16
24
166
266.96
mp-29656
-6.043232
-3.58912
-2.054398
other
Ag1Bi1Te2
4
166
120
mp-999265
-2.844849
-2.491207
-5.718945
other
Rb1Y1S2
4
166
109.65
mp-1286841
16.571957
9.760067
5.671728
other
Mg8Fe2O10
20
166
196.24
mp-1043624
10.604749
9.64948
-0.191928
other
Mg1Sb4O8
13
166
204.52
mp-1001604
-2.832954
-2.57758
-5.76788
other
Lu1Tl1S2
4
166
99.83
mp-1392045
8.094552
13.476498
-1.135357
other
Y2Co4O8
14
166
163.17
mp-1215364
-3.097847
0.031065
2.815671
other
Zr4W1C5
10
166
125.42
mp-27948
-5.925644
-3.615021
-1.96401
other
Ge1Bi2Te4
7
166
234.75
mp-1222673
-9.136798
-4.992668
3.894766
other
Li2Ga1Cu3
6
166
83.04
mp-1223387
1.243618
2.012832
-5.490303
other
K1Na4Cl5
10
166
234.96
mp-754040
11.895908
8.944706
1.832311
other
Ce1Sm1O2
4
166
61.53
mp-1223695
-5.97242
-3.479839
-2.091215
other
In1Sn1Te2
4
166
124.79