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-1226947
-6.410876
-4.928039
1.031576
other
Ce4Bi8Pd3
15
115
421.27
mp-1048194
12.446637
10.442125
0.094354
other
Ba2W3O8
13
115
194.55
mp-1233322
0.985961
2.498817
1.417119
other
Mg1Ni2N2
5
115
62.73
mp-1100897
10.546455
9.714368
3.937559
other
Y2Zr8O19
29
115
342.39
mp-1220394
-6.150855
-4.317825
1.057076
other
Nd2Co1Sb4
7
115
186.05
mp-1219847
-8.714587
-5.918673
3.717664
other
Pr2Ga5Au3
10
115
202.32
mp-1223781
-4.754431
-4.907887
0.080223
other
In1Ga1As2
4
115
106.43
mp-1222562
8.524091
14.873045
-1.199568
other
Li3Mn8O16
27
115
295.69
mp-1228890
-5.344335
-5.740158
0.450627
other
Al1In1Sb2
4
115
128.92
mp-1423472
0.536921
2.602392
1.639541
other
Ca1Fe2N2
5
115
74.34
mp-1225133
-6.612591
-1.370134
1.888154
other
Fe3Cu1As2
6
115
79.97
mp-1220376
-6.163697
-4.402769
1.078618
other
Nd2Fe1Sb4
7
115
188.39
mp-1219254
-3.641576
-4.128905
0.822637
other
Sc1In1P2
4
115
105.61
mp-1420270
0.928563
2.362934
1.809794
other
Ca1Cr2N2
5
115
74.6
mp-1008523
6.054109
2.418148
-3.004154
other
B1C2N1
4
115
24.25
mp-568556
-3.383726
1.901459
2.743169
other
Mg4B48C2
54
118
406.54
mp-769881
9.927876
0.99842
1.2341
other
Li6Cr2F12
20
118
209.65
mp-1215365
-6.7479
-3.393075
4.029698
other
Zr10Al2Ni8
20
118
346.64
mp-1192265
5.429927
-0.488952
-3.001976
other
Mg2B4H16
22
118
187.94
mp-28130
-2.539285
-0.351698
-5.193433
other
Nb4P8S32
44
118
1,163.71
mp-1190456
5.590155
-0.242699
-3.08011
other
Mn2B4H16
22
118
186.67
mp-30311
-2.576516
-0.536376
-5.466598
other
Zn6P4S16
26
118
575.11
mp-1094148
-6.643037
-0.985853
4.088572
other
Mn8Fe4Ge20
32
118
443.38
mp-849462
8.41887
12.80992
-0.3676
other
Li14Co4O12
30
118
286.29
mp-1226820
-4.204056
-1.615314
-5.600293
other
Cd5Te1S4
10
119
279.22
mp-34735
-2.766884
-2.533069
-5.832733
other
Ho2Cd1S4
7
119
166.41
mp-571443
-6.392486
-6.961777
3.525686
other
Sr1Mg1In3
5
119
139.83
mp-1225128
-7.158675
-5.992722
4.168302
other
Eu1Ga3Ag1
5
119
101.67
mp-1225592
-7.925203
-4.803493
5.120938
other
Dy1Ga3Cu1
5
119
86.87
mp-754611
12.62013
12.18292
0.215105
other
Nb1V1O4
6
119
77.21
mp-775296
8.62871
13.495465
-1.08191
other
Ti2Mn2O8
12
119
136.51
mp-1222026
-7.585265
-1.225064
3.250678
other
Mn2Ga1Ni1
4
119
53.92
mp-760447
6.313765
8.890777
-1.966008
other
Tl2Pb3O9
14
119
205.17
mp-1103519
8.33862
9.443367
0.02937
other
K4Cu4O4
12
119
244.85
mp-1147588
-4.788557
-2.851783
-3.561663
other
Ba1Co1Se2
4
119
98.24
mp-1227177
-4.07307
-5.099946
5.662725
other
Ca1Eu1Si4
6
119
123.58
mp-1223040
-7.986355
-4.699213
5.129651
other
La1Ga3Ni1
5
119
93.63
mp-1227390
-6.324914
-7.023161
2.907325
original
Ba1Tl1In3
5
119
162.08
mp-1232333
10.200889
10.898153
-3.681452
other
Cu1Mo1O4
6
119
75.23
mp-1226614
-5.130189
-3.550032
5.761941
other
Ce1Co1Si3
5
119
78.67
mp-726248
0.478003
2.519594
-4.314794
other
Li5Br3O2
10
119
168.6
mp-753373
9.953402
2.445697
1.626797
other
Li1V1F4
6
119
77.87
mp-1226731
-4.628661
-2.476228
-4.251431
other
Cd1Hg4Se5
10
119
307.16
mp-1178209
9.10275
11.894856
-1.331438
other
Fe2Sb2O8
12
119
154.8
mp-1003854
8.488147
13.310926
0.25095
other
K4Mn4O8
16
119
221.39
mp-1219170
-6.071043
-3.175568
0.975649
other
Sm2P3Pt4
9
119
162.72
mp-1185521
5.420248
-0.456539
-3.016714
other
Mg2B4H16
22
119
304.39
mp-1221361
9.538846
14.390347
-0.529391
other
Mn10Sn2O16
28
119
346.66
mp-1212695
-4.603572
-2.627337
-4.098956
other
Ga2Hg5Se8
15
119
435.64
mp-31428
-7.575095
-4.162446
4.971615
other
U1Ga3Ni1
5
119
86.97
mp-1222880
-6.421572
-5.099478
6.038264
other
La1Be1Al3
5
119
98.19
mp-2226989
9.059807
14.941743
-0.45639
other
Mg1Mn5O8
14
119
163.62
mp-1220160
-8.158011
-4.661273
4.643849
other
Nd1Ga3Pt1
5
119
94.42
mp-2218884
8.60902
14.803523
-1.08348
other
Mg1Mn4O8
13
119
151.7
mp-1226634
-7.613104
-4.549023
5.068388
other
Ce1Al3Pd1
5
119
96.72
mp-1225298
-6.248072
-3.464331
1.295589
other
Eu2P3Pt4
9
119
167.65
mp-2225296
12.824314
10.912916
1.822082
other
Mg1Ti2O4
7
119
71.66
mp-755596
10.000169
13.099402
-1.422728
other
Ti1Cr1O4
6
119
68.61
mp-1219974
-8.222297
-4.983318
4.469732
other
Pr1Ga3Pd1
5
119
96.07
mp-1218327
-4.013944
-5.254922
5.591952
other
Sr1Ca1Si4
6
119
129.85
mp-1215945
-7.889245
-4.833073
5.051431
other
Y1Ga3Cu1
5
119
87.44
mp-1225221
-4.469971
-4.499099
5.931136
other
Eu1Si3Ni1
5
119
83.72
mp-1218230
-8.525683
-6.356788
2.303104
other
Sr1In1Au5
7
119
145.63
mp-754900
5.965333
11.108026
-1.837765
other
Ti2Fe2O8
12
119
140.35
mp-1220159
-8.269189
-4.95188
4.467293
other
Nd1Ga3Pd1
5
119
94.87
mp-1176413
11.398587
11.524765
-2.054272
other
Mn2W2O8
12
119
168.18
mp-1226621
-7.789694
-5.402446
4.627746
other
Ce1Ga3Ag1
5
119
102.22
mp-675192
9.715535
8.676553
3.197101
other
Ce3Dy2O9
14
119
202.46
mp-1220168
-7.898349
-4.897101
5.089967
other
Nd1Ga3Cu1
5
119
91.41
mp-1173423
9.967276
8.621948
3.161432
other
Nd2Th3O9
14
119
224.12
mp-1227881
-6.241854
-6.887641
3.381421
original
Ba1Mg1In3
5
119
148.16
mp-774401
8.360226
12.112775
-1.921608
other
Co1Sb1O4
6
119
71.1
mp-1226576
-7.986159
-4.686563
4.537651
other
Ce1Ga3Pt1
5
119
96.12
mp-1217573
-7.176934
-5.014468
5.803384
other
Tb1Al3Ag1
5
119
99.21
mp-1226471
-7.64523
-5.043131
5.031661
other
Ce1Zn1Ga3
5
119
98.65
mp-755302
12.364909
11.41622
2.190462
other
Ti1Nb1O4
6
119
76.99
mp-1226485
-4.93978
-4.315259
5.881103
other
Ce1Th1Si4
6
119
121
mp-773864
10.591455
11.938571
1.734973
other
Ti1Sn1O4
6
119
78.47
mp-998918
-5.222387
-2.375326
-3.740968
other
Tl1Fe1Se2
4
119
101.7
mp-1232984
8.206491
14.014181
-1.505388
other
Li1Mn4O8
13
119
202.93
mp-1226480
-5.093616
-3.781605
5.636897
other
Ce1U1Si4
6
119
113.15
mp-1219019
-8.139121
-4.701982
4.644146
other
Sm1Ga3Pt1
5
119
92.65
mp-754839
6.568414
9.153435
-1.016794
other
Sn1Bi1O4
6
119
96.56
mp-1225260
-6.946704
0.667709
3.711256
other
Fe16Mo8N4
28
119
323.67
mp-37888
-6.116595
-3.521675
-2.124995
other
In2Hg1Te4
7
119
227.54
mp-1104259
-4.970286
0.044193
-5.073438
other
V4Cu2S8
14
119
239.49
mp-1215331
-5.782875
-3.366433
5.455374
other
Zr1Al2Si1
4
119
66.71
mp-1227485
-8.281654
-1.654607
2.879354
other
Ce2Si5Ni17
24
119
299.16
mp-1223054
-5.235187
-4.329885
0.495081
other
La2Zn1As4
7
119
169.28
mp-1222853
-7.799129
-4.867601
5.092086
other
La1Ga3Cu1
5
119
95.18
mp-1225324
-8.598114
-6.275615
2.287633
other
Eu1Cd1Au5
7
119
142.94
mp-756246
11.502685
9.189476
2.830699
other
Nd4Zr4O12
20
119
310.44
mp-1207341
-5.905885
-3.567077
-1.932229
other
Cs1Mn1Te2
4
119
152.6
mp-1215624
-5.155647
-2.843032
-4.220181
other
Zn4Cd1Se5
10
119
248.56
mp-1222842
-8.123569
-4.930105
4.509693
other
La1Ga3Pd1
5
119
98.37
mp-1147720
-3.602859
-1.798745
-5.564644
other
Ba1Cu1S2
4
119
90.31
mp-1220083
-7.481432
-1.558938
1.988582
other
Ni9Sn2S2
13
119
173.29
mp-1223459
-5.219249
-3.891232
0.448706
other
K1Fe1As2
4
119
100.13
mp-1226648
-7.539415
-4.262306
5.09895
other
Ce1Al3Pt1
5
119
95.58
mp-1218293
-4.071978
-5.227456
5.56562
other
Sr1Eu1Si4
6
119
131.22