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-1184803
8.149619
11.295344
-0.821695
other
Ir2Ru2O5
9
123
94.82
mp-1217707
-4.961266
-3.060133
4.127829
other
Ti16Hg4C5
25
123
474.2
mp-1216996
-7.394268
-1.598872
3.2737
other
Ti1Co2Sn1
4
123
57.05
mp-1223447
8.355322
1.051983
1.9011
other
K1La1F4
6
123
102.11
mp-1207049
0.94509
1.491615
-3.645236
other
Ba2Cl2F1
5
123
570.84
mp-1222402
-4.343969
-4.092344
-3.867959
other
Li1Gd1Se2
4
123
95.45
mp-566131
9.301527
1.785293
1.855229
other
K1Cr1F3
5
123
77.1
mp-1211899
-3.415027
-5.479974
1.144451
other
K2Mn1P2
5
123
150.69
mp-35404
9.848111
8.781166
2.82833
other
Na2Ce1O3
6
123
85.5
mp-1215718
-8.395304
-4.216467
2.561206
other
Y1U1Pd6
8
123
139.14
mp-867920
7.608325
10.297406
-0.710178
other
K2Rh2O5
9
123
125.64
mp-1215533
-7.427643
-1.542194
2.714381
other
Zn1Si1Ni2
4
123
46.57
mp-1224968
-7.859808
-1.565314
3.045345
other
Fe1Ni1Pt2
4
123
52.81
mp-1217017
-6.515605
-1.994834
5.733244
other
Ti1Al6Mo1
8
123
120.99
mp-10423
-0.431235
0.826801
-0.202413
other
K1Au1C2
4
123
98.86
mp-1217067
-6.205614
-1.586867
4.107242
other
Ti2Re1Os1
4
123
59.4
mp-1229087
-4.642068
-2.862051
-3.796745
other
Ag1Bi1Se2
4
123
102.01
mp-1215448
-8.85123
-5.354318
2.406156
other
Zn2Pd1Au1
4
123
59.38
mp-1211300
8.715091
5.980702
-4.191421
other
Li1H2O2
5
123
79.27
mp-1213092
-8.382079
-4.414925
2.178665
other
Cu4Sn4Pd8
16
123
253.14
mp-1207266
-2.345773
-8.14299
1.554089
other
Nd2As3Rh3
8
123
612.58
mp-1025220
-7.92528
-3.22636
2.542023
other
Si1Ag1Pt5
7
123
112.17
mp-1186829
11.417405
8.64839
1.990977
other
Rb2Np2O5
9
123
169.5
mp-1216855
-8.51699
-4.681111
3.406691
other
Ti1Cu2Sn1
4
123
63.75
mp-1216661
-8.934368
-4.240767
4.095886
other
Ti1Zn1Cu2
4
123
54.8
mp-1147628
7.659188
6.579424
-2.823973
other
Na1I1O2
4
123
65.86
mp-1224303
-6.307701
-3.433475
5.290751
other
Hf1Al2Zn1
4
123
65.22
mp-1222302
8.116766
13.916104
-0.808718
other
Li1Fe1O2
4
123
36.11
mp-10421
-0.585102
0.624965
-0.098847
other
Rb1Au1C2
4
123
110
mp-1223211
-7.129483
-6.342733
6.213342
other
La2Mg1Al1
4
123
117.37
mp-1227312
-7.17655
-1.384935
3.040603
other
Be1Si1Ni2
4
123
40.04
mp-1206456
-3.059398
-2.67799
-3.856337
other
Y2S2F1
5
123
159.61
mp-1210111
0.773803
1.75731
-3.972263
other
Pb2Br2F1
5
123
221.74
mp-1223114
-8.59198
-4.424775
2.425511
other
La4Ce1Pd15
20
123
367.57
mp-1216662
-4.848256
-3.724335
0.524975
other
U2As1Se1
4
123
103.77
mp-1215585
-8.194223
-1.917044
2.657197
other
Zn4Ni5Ge1
10
123
122.06
mp-1221634
-7.182106
-0.82712
3.437149
other
Mn1Co2Si1
4
123
45.27
mp-1219966
-2.120247
0.441064
2.358304
other
Pr1Dy1C4
6
123
91.21
mp-1206185
-7.574523
-4.008123
4.625868
other
Pu1Ga5Co1
7
123
119.33
mp-2828768
-7.095003
-10.371658
6.485239
other
Sr1Mg6Zr1
8
123
205.95
mp-1214100
0.573099
1.938358
-3.410107
other
Ca2H1I2
5
123
341.6
mp-1025248
-7.434038
-3.848325
0.676162
other
Tl1Pd5Se1
7
123
118.51
mp-1222295
-2.921147
-2.392376
-5.872607
other
Lu1Ag1S2
4
123
81.2
mp-864685
-8.062652
-5.759341
4.499429
other
Nd2In8Pd1
11
123
270.54
mp-1103303
-8.062265
-5.792342
4.67495
other
Pr2In8Co1
11
123
273.76
mp-1219970
-3.960313
-2.620333
-4.48475
other
Pb4Se3S1
8
123
230.7
mp-1206726
-2.838587
-8.226512
1.383768
other
Tb2Ag1Sb3
6
123
4,060.24
mp-1206847
7.194699
7.819242
-2.132642
other
Rb2Na1O2
5
123
440.56
mp-1222784
-9.027635
-2.000365
3.881737
other
Lu5B4Rh15
24
123
358.72
mp-1207503
-6.211461
-4.210588
3.694841
other
Zr2Cu3Sb1
6
123
125.89
mp-1410270
9.236238
2.562986
1.829964
other
Mg1Ti1F4
6
123
66.38
mp-30919
-7.834807
-4.773325
4.713613
other
La1Ga6Pd1
8
123
151.79
mp-1217284
1.690823
1.412415
2.397504
other
Th1U1N2
4
123
63.69
mp-1226611
-8.743997
-5.353244
6.018547
other
Ce1Y4Rh5
10
123
202
mp-5606
9.079421
1.00743
1.466176
other
Al1Tl1F4
6
123
83.36
mp-1228913
-7.725266
-1.537541
3.677202
other
Al2Co1Ni1
4
123
46.32
mp-1222761
-2.060338
0.458838
2.332104
other
La1Pr1C4
6
123
100.2
mp-1025346
-7.3784
-4.022852
1.288421
other
Ga1As1Pd5
7
123
108.13
mp-1178506
-1.221383
1.93742
-1.622945
other
Ba1Sr1I4
6
123
278.24
mp-1225132
-3.510234
1.795599
3.003833
other
Eu1Tm1B12
14
123
138.83
mp-1025375
-8.03604
-3.837217
5.347777
other
Y1Ga5Co1
7
123
118.28
mp-1206150
-2.662758
-8.252027
1.295039
other
Sr2Sb3Pt3
8
123
749.1
mp-1206787
-5.244809
-4.581652
5.496407
other
Tm2Si3Pt3
8
123
166.66
mp-1080109
-4.429898
-1.595819
-5.241298
other
Cu4S3N1
8
123
137.19
mp-1102177
-7.862144
-4.322207
5.778232
other
Tb2Ga8Fe1
11
123
202.93
mp-1222905
-8.513516
-4.403156
2.446269
other
La1Ce1Pd6
8
123
144.68
mp-4856
-8.050808
-3.698536
5.383781
other
Ho1Ga5Co1
7
123
116.94
mp-1222144
-8.237941
-5.980124
2.430452
other
Mg2Ag1Pd1
4
123
67.41
mp-1225410
1.524662
1.464377
2.495839
other
Er1U1N2
4
123
57.06
mp-1206111
-2.73789
-8.305567
1.429078
other
Y2Ag1Sb3
6
123
3,311.69
mp-1273854
5.675096
11.655419
-0.118573
other
Sr4Co4O12
20
123
232.18
mp-1016652
-6.947534
-10.574695
6.513556
other
Ba1Hf1Mg6
8
123
214.01
mp-30593
-9.359253
-3.508055
3.263283
other
Zn1Cu2Ni1
4
123
46.03
mp-1025241
-7.93437
-2.744939
5.399708
other
Sc1Ga5Fe1
7
123
111.3
mp-1207291
1.781021
2.617698
-3.52386
other
Ac2Cl2O1
5
123
283.67
mp-1218969
-3.511995
1.74913
2.992054
other
Sm1Y1B12
14
123
138.91
mp-1210105
-5.250958
-3.856064
2.495174
other
Nb2Si1As2
5
123
98.61
mp-1207048
-6.95517
-6.186506
6.092558
other
Tm2Ti1Ge2
5
123
126.67
mp-1207311
-2.878093
-8.275288
1.388799
other
Nd2Ag1Sb3
6
123
3,503.18
mp-1216738
-4.959085
-3.591778
0.780448
other
U2As1Se1
4
123
88.15
mp-1215895
-6.810489
-4.401352
0.991659
other
Y1Sb1Pd2
4
123
83.14
mp-1206758
0.660662
0.976421
-3.5848
other
Ce2Cl2O1
5
123
430.05
mp-1207339
-2.812289
-8.144295
1.437583
other
Lu2Cu1Sb3
6
123
4,221.8
mp-1025242
-8.013041
-3.287789
5.305923
other
Sc1Ga5Co1
7
123
110.21
mp-1221097
-4.742334
-3.10034
-3.603168
other
Na1Bi1Se2
4
123
105.89
mp-2789384
-7.150001
-10.605726
6.690995
other
K1Mg6Nb1
8
123
197.36
mp-1206467
0.912613
1.442561
-3.645306
other
Sm2Br2F1
5
123
215.69
mp-1216894
-8.249916
-1.936594
3.108949
other
Ti1Cu1Ni2
4
123
49.1
mp-1216544
-4.73419
-3.062948
-3.794109
other
Tl1Bi1Se2
4
123
115.9
mp-1101039
-4.72606
-3.102906
-3.77997
other
Tl7Bi7Se14
28
123
825.89
mp-973773
9.510193
8.633368
2.4138
other
Nd2Cd2O5
9
123
135.47
mp-1225094
-7.532684
-0.999296
2.819147
other
Fe1Ni2Ge1
4
123
45.49
mp-580439
-6.94569
-0.15302
4.631614
other
U1Fe5Si3
9
123
121.54
mp-1222294
-2.661076
-2.690684
-5.760066
other
Li1Nd1S2
4
123
90.45
mp-1183327
11.648915
10.414048
0.849832
other
Ba2Tc2O5
9
123
134.8
mp-1207956
-5.058742
-3.683012
0.306419
other
U2Te2N1
5
123
141.52
mp-8237
-5.48735
-4.469681
0.431203
other
Ba1As2Pd2
5
123
110.8
mp-1210807
0.663873
0.896252
-3.435201
other
Lu2Br2O1
5
123
229.42
mp-1224940
-8.174796
-1.609899
2.561152
other
Ga3Ni12Sn1
16
123
188.82
mp-1207362
-2.911336
-8.165121
1.394182
other
Tb2Cu1Sb3
6
123
7,256.2