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-756513
7.900814
13.929461
-1.785598
other
Mn3Cu1O8
12
166
141.04
mp-1226598
10.055007
8.756556
3.228805
other
Ce1Th3O8
12
166
172.08
mp-1007665
-2.747955
-2.596136
-5.783119
other
Ho1Tl1S2
4
166
103.44
mp-1190611
-7.793054
0.745077
4.83305
other
Nd2Fe17H3
22
166
266.43
mp-1220912
-2.627425
-2.679765
-5.679378
other
Na1Pr1S2
4
166
99.62
mp-1226785
-7.703143
-1.805879
4.744467
other
Ce2Ni1Ru3
6
166
101.98
mp-13314
-5.892758
-3.787582
-1.863437
other
Sc1Tl1Te2
4
166
127.7
mp-1216767
0.128893
1.791055
2.552305
other
Ti1V1N2
4
166
36.7
mp-1225310
-7.373555
-2.291466
6.319494
other
Dy2Al3Fe1
6
166
115.13
mp-1217115
-4.068383
-0.203726
3.004013
other
Ti3W1C4
8
166
82.05
mp-27261
-9.001122
-0.918434
4.316626
other
Ba7B12Ir12
31
166
574.37
mp-1017514
2.25139
2.357984
1.73395
other
Mg1Si1N2
4
166
34.48
mp-14006
8.736007
1.364729
0.914719
other
Ba1Ge1F6
8
166
110.72
mp-1215552
-7.107074
-0.3833
5.278852
other
Zr2Al1Fe3
6
166
91.95
mp-999119
-2.752156
-2.565774
-5.727526
other
Tb1Tl1S2
4
166
105.48
mp-1215387
1.190907
1.602687
2.690928
other
Zr4C1N3
8
166
98.68
mp-754472
9.898172
8.94869
2.704309
other
Ho1Cu1O2
4
166
60.13
mp-758388
5.470904
11.016541
-2.164301
other
Li3Fe3O8
14
166
143.68
mp-1215561
-7.477639
-1.740607
3.881973
other
Zr2V1Ni3
6
166
87.42
mp-1246508
0.501974
2.699764
1.510672
other
Fe1Pd2N2
5
166
56.58
mp-1104306
8.48932
6.886281
-3.821437
other
Rb3Se2O8
13
166
253.2
mp-1188589
-8.007051
0.628513
3.748798
other
Er1Co12B6
19
166
188.34
mp-1219660
-2.896298
-0.034003
2.659922
other
Pu1Ta1C2
4
166
52.05
mp-31082
-6.033419
-6.508717
3.846944
other
Li4Zr1Ge2
7
166
122.89
mp-15796
-4.239938
-4.241085
-3.860337
other
Li1Ho1Se2
4
166
90.88
mp-1006885
-2.725618
-2.627404
-5.668955
other
K1Nd1S2
4
166
111.41
mp-1222135
-2.450316
-6.114701
7.138669
other
Mg2Cu1Si3
6
166
95.21
mp-1226882
-7.065343
-3.554674
5.985984
other
Ce2Al3Fe1
6
166
117.74
mp-1174181
4.018927
19.436903
-1.826943
other
Li6Co4O10
20
166
179.22
mp-1008561
-5.935412
-3.824274
-1.830933
other
Tm1Tl1Te2
4
166
136.6
mp-2210614
-4.619342
-0.334111
-5.338977
other
Mg1V1S2
4
166
68.51
mp-1216840
-3.465588
-3.443545
-2.443745
other
U5P1S4
10
166
206.35
mp-1246060
1.791487
1.890191
2.341851
other
Zr6Ag3N9
18
166
258.59
mp-1221682
-5.474422
-1.625907
-3.523656
other
Mn1Co1Se2
4
166
69.41
mp-1217142
0.815971
1.850765
2.570543
original
Ti2C1N1
4
166
39.33
mp-23009
0.975673
2.15575
-1.319015
other
Ca2Br1N1
4
166
81.78
mp-1001786
-2.681181
-2.601263
-5.649093
other
Li1Sc1S2
4
166
71.36
mp-641957
-7.377216
1.089737
4.057464
other
Nd1Fe12B6
19
166
198.16
mp-8348
8.328867
1.823367
-0.223937
other
Tl1Sb1F6
8
166
131.66
mp-568062
-4.353053
-3.895009
-3.878895
other
Dy1Tl1Se2
4
166
116.1
mp-1079706
-4.003181
-0.40529
3.059792
other
Ti5Al2C3
10
166
132.55
mp-7942
-3.782009
-0.69945
-5.008013
other
Na1Ti1S2
4
166
73.25
mp-1218707
-3.529073
-2.300556
-5.163422
other
Sr2Se1S1
4
166
117.05
mp-1404711
6.627397
15.25347
-1.572631
other
Li4Co4O8
16
166
138.99
mp-755007
11.436753
8.670209
2.571452
other
Ce2O2F2
6
166
92.09
mp-11178
2.064027
1.689483
1.667212
other
Sr1Ce1N2
4
166
68.7
mp-1219190
-2.930914
-3.791648
-3.415739
other
Sm3Ho1S4
8
166
177.12
mp-1228756
-7.508564
-4.219471
1.320724
other
As1Pd6Pb1
8
166
132.3
mp-5273
-5.859261
-3.867994
-1.760965
other
K1Pr1Te2
4
166
153.51
mp-1444973
-5.375393
-0.075282
-5.674468
other
Zn1Cr4S8
13
166
243.02
mp-1223820
-6.649404
-3.293445
5.096242
other
Hf2Al3Cu1
6
166
98.05
mp-1222116
-6.479733
-10.931993
5.032453
other
Mg4Si1Sn1
6
166
143.1
mp-641101
-6.180461
-6.748525
2.70885
other
K34Zn20In85
139
166
4,229.96
mp-1220378
-4.484838
-0.014805
3.022454
other
Nb1Mo3C4
8
166
86.39
mp-2219157
12.633672
11.753023
1.846217
other
Mg1Ti4O8
13
166
150.27
mp-18921
7.131172
14.240775
-1.57481
other
Na1Co1O2
4
166
37
mp-1219780
7.950593
8.41202
-3.216606
other
Rb2Te3O12
17
166
280.48
mp-752546
11.733441
12.656781
1.813404
other
Li1Ti4O8
13
166
150.09
mp-1390152
-5.359422
-0.053036
-5.668706
other
Mg1Cr4S8
13
166
242.3
mp-752924
7.280907
8.660114
-1.562011
other
Na1Yb1O2
4
166
55.32
mp-1215847
-7.212177
-4.922337
5.498089
other
Yb2Al3Cu1
6
166
120.12
mp-1067160
-2.994193
-2.338843
-5.271687
other
Li1Yb1S2
4
166
80.76
mp-570032
0.437103
0.897552
-2.854178
other
Ca3Si1Br2
6
166
216.89
mp-1105815
-8.010603
0.679128
3.746214
other
Nd1Co12B6
19
166
187.82
mp-14205
-4.838356
-5.302141
0.468774
other
K3Cu3As2
8
166
195.07
mp-1443045
-5.284594
-0.851529
-4.423479
other
Ca1Ni4S8
13
166
236.84
mp-1078005
-5.839635
-4.967453
0.952898
other
K1Cu4Sb2
7
166
143.95
mp-755272
13.108432
12.176003
-0.149492
other
Li3V5O8
16
166
158.33
mp-1215256
0.731358
1.441657
2.774934
other
Zr1Nb1N2
4
166
46.54
mp-31406
-5.232474
-3.537985
-2.731948
other
Bi2Te1Se2
5
166
167.38
mp-778241
9.822665
2.86066
1.895883
other
Li2V3F8
13
166
172.48
mp-1216690
-4.309237
-0.025076
2.907671
other
Ti1W1C2
4
166
41.23
mp-1182539
-4.488441
-7.15609
3.854635
other
Ba2Sr1Np1
4
166
178.54
mp-1286093
12.829102
11.190482
1.641559
other
Ti8Mn4O16
28
166
324.23
mp-10777
-4.222012
-3.901374
-3.524112
other
Rb1Ce1Se2
4
166
134.31
mp-1222851
2.25697
1.628317
1.919064
other
La1Gd1N2
4
166
68.34
mp-1201837
6.549611
5.961656
-3.970312
other
Mo6Cl8O18
32
166
664.25
mp-27185
8.423433
1.181382
1.685308
other
K1Th6F25
32
166
503.14
mp-1007663
-6.014897
-3.813752
-1.823557
other
Ho1Tl1Te2
4
166
138.39
mp-675569
8.627658
1.807991
-0.579274
other
K1P1F6
8
166
107.13
mp-1209619
8.061284
0.915623
1.208963
other
Rb3Bi1F6
10
166
354.41
mp-1221706
-5.13185
-0.780478
-5.227067
other
Mn4Cd1S5
10
166
178.81
mp-1105798
-8.013093
0.659331
3.751093
other
Sm1Co12B6
19
166
190.11
mp-31402
-8.520923
-2.893566
4.231687
other
Sm2Ge1Rh3
6
166
108.79
mp-1078089
-6.477
-3.882317
-0.405535
other
Pd3Pb2Se2
7
166
152.94
mp-1219737
-2.594107
0.017161
2.654189
other
Pu1U4C5
10
166
157.77
mp-1226587
11.534175
8.506075
2.110989
original
Ce1U4O10
15
166
199.87
mp-1221762
9.959269
9.090823
0.391244
other
Mn4Cd16O20
40
166
507.56
mp-1219187
-7.67595
-0.322095
5.591575
other
Sm2Fe3Ru1
6
166
104.35
mp-1192281
7.764773
4.988546
-3.594752
other
Cs1B12O12
25
166
427.44
mp-1222918
2.158106
1.727013
1.839442
other
La1Ce1N2
4
166
69.29
mp-675227
6.739483
11.887913
1.427163
other
Ba5Mn5O15
25
166
334.79
mp-1189362
-9.389936
-4.709526
4.038834
other
Dy2Ga5Cu12
19
166
276.23
mp-1215898
2.09586
1.743058
1.904081
other
Y1Sc1N2
4
166
52.76
mp-1101401
9.390933
8.39057
2.776379
other
Rb1Pr1O2
4
166
77.01
mp-851082
8.089931
14.076537
-1.70999
other
Mn15Ni1O32
48
166
558.58
mp-1215592
1.236903
1.579337
2.58566
other
Zr2C1N1
4
166
50.36
mp-1217693
-8.605246
-0.537745
4.97445
other
Tb2Co3Ni1
6
166
92.65
mp-1215517
-7.280668
-0.364643
5.25583
other
Zr2Mn1Fe3
6
166
90.6
mp-1104026
-3.329167
1.79178
2.736816
other
Be1B12C2
15
166
112.11