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-1217682
-6.789647
-4.02284
6.292192
other
Tb2Hf1Al9
12
123
224.32
mp-1208434
-5.282045
-3.787653
2.744862
other
Ta2Si1As2
5
123
99.55
mp-1206950
-2.846174
-7.936491
1.468632
other
Tb2As3Au1
6
123
2,600.21
mp-1211089
-3.57604
-4.288654
0.804181
other
Li1Mn1P2
4
123
63.21
mp-1021419
-6.860638
-11.038541
6.537721
other
Cs1Mg6Ti1
8
123
219.58
mp-1025296
-7.679264
-4.11567
1.419422
other
Sn1P1Pd5
7
123
109.6
mp-1225101
-6.881532
0.121586
3.424646
other
Fe6Ge2N1
9
123
101.07
mp-1077915
-7.498572
-4.278282
1.314666
other
Hg1As1Pd5
7
123
114.69
mp-978518
7.750094
9.929529
0.339373
other
Sm2Ag2O5
9
123
124.35
mp-1188488
1.361103
2.283654
0.767759
other
Cu11Pd1N4
16
123
212.33
mp-1025213
-7.822313
-3.284545
2.43239
other
In1P1Pt5
7
123
110.61
mp-1216534
-3.477975
-3.481043
-2.370951
other
U2Se1S1
4
123
87.59
mp-1225319
-3.780468
-4.698097
0.981033
other
Eu2P1Cl1
4
123
105.66
mp-1226004
-7.896098
-1.79288
2.910385
other
Co1Ni1Pt2
4
123
53.01
mp-617266
12.951451
10.319428
2.31934
other
Sr2Nb8O12
22
123
291.71
mp-1048172
6.346353
11.651964
0.411973
other
Ba2Mn3O8
13
123
187.21
mp-27138
-0.666396
1.25721
-4.644438
other
K2Pd1Br4
7
123
239.31
mp-1222139
-8.027441
-6.807296
2.463775
other
Mg4Cd1Ag5
10
123
181.21
mp-1207324
-5.091496
-5.092166
6.509636
other
Sm2Si2Ru1
5
123
114.02
mp-767409
-5.258697
-3.868467
-2.781971
other
Li5Sb1S1
7
123
118.75
mp-1225578
-5.789279
-3.976235
-1.241257
other
Dy1Er1Te2
4
123
114.21
mp-1207155
-3.41186
-6.189047
1.400169
other
Th2P2S1
5
123
168.73
mp-1206474
0.616473
1.871529
-3.356039
other
Pr2I2O1
5
123
282.63
mp-1228339
1.694767
1.936267
1.001581
other
Ba2N1F1
4
123
94.49
mp-1222790
-2.12573
0.490342
2.399967
other
La1Nd1C4
6
123
99
mp-1017220
-7.451152
-11.376659
6.21017
other
Rb1Mg6Mo1
8
123
201.1
mp-1188468
1.373307
2.275561
0.836111
other
Cu12Pd1N4
17
123
218.28
mp-1218981
10.796885
8.855764
3.12173
other
Sm1Pa1O4
6
123
79.9
mp-1184317
9.787173
8.811079
3.066218
other
Gd2Mg2O5
9
123
111.06
mp-1018799
-8.13163
-4.421896
5.101471
other
Mg1Sc3Ru2
6
123
113.81
mp-1206942
-5.491087
-4.427695
5.217531
other
Ce2Si3Pt3
8
123
157.61
mp-1186788
12.145823
9.467733
0.315148
other
Ta2Mo2O5
9
123
101.66
mp-1207287
-2.900139
-7.874345
1.310021
other
Nd2As3Au1
6
123
2,716.43
mp-1016296
-7.71054
-11.248684
6.244824
other
Sr1Mg6Mo1
8
123
187.66
mp-1219733
-7.169271
-5.708088
3.549067
other
Pr1Y1Sn6
8
123
216.99
mp-1209400
-4.605896
-3.23989
-3.447464
other
Rb2Ce2Se8
12
123
558.85
mp-972793
12.432188
9.200568
-0.405749
other
Si2B2O5
9
123
77.83
mp-1207310
-2.934269
-8.322847
1.330557
other
Sm2Cd1Sb3
6
123
3,332.56
mp-1217071
-7.276726
-2.827678
3.553466
other
Ti2Cu1Ni1
4
123
56.06
mp-1184160
11.079792
9.04602
0.933322
other
Dy2Ge2O5
9
123
122.26
mp-10102
-0.252473
0.708339
-0.304855
other
K1Ag1C2
4
123
100.5
mp-1018030
9.629306
8.44545
1.758068
other
Sr2S1O1
4
123
93.48
mp-862664
10.296741
9.961558
3.79781
other
Rb2Zr2O5
9
123
155.51
mp-20627
-8.139107
-3.703253
5.121242
other
Yb1Ga5Co1
7
123
120.87
mp-8236
-4.15535
-4.100212
0.616981
other
Ba1P2Pd2
5
123
105.39
mp-1206958
-6.385305
-5.182348
3.842587
other
Tb2Ge3Ir3
8
123
164.94
mp-1215174
-3.045466
-0.099995
2.748383
other
Zr1Ti1C2
4
123
47.13
mp-1220122
-7.989086
-2.225836
2.717027
other
Ni4Ge1Pt5
10
123
137.77
mp-1181635
7.325552
7.661185
-2.818743
other
Fe1Bi1O3
5
123
110.06
mp-1102172
-7.932483
-5.551459
4.427207
other
Ce2In8Pd1
11
123
273.26
mp-1025218
-7.804308
-3.356628
2.557264
other
Si1Pt5Pb1
7
123
115.47
mp-21479
-8.145618
-5.309877
4.238093
other
La1In5Rh1
7
123
169.63
mp-1226575
-7.45475
-0.743181
3.163965
other
Co12Ge4C1
17
123
188.76
mp-1209509
-3.353066
-5.828058
1.323737
other
Rb2Mn1P2
5
123
207.18
mp-978039
-8.001547
-3.915905
5.499866
other
Ho4Ga16Co3
23
123
388.06
mp-866311
9.390523
8.416697
-0.473516
other
Bi3Br1O4
8
123
144.83
mp-1210196
-5.443387
-3.770449
2.19047
other
Nb2Ge1As2
5
123
109.8
mp-861621
8.066149
11.133106
0.926851
other
Eu2Fe2O5
9
123
117.71
mp-1217286
-5.541664
-3.706343
-2.49325
other
Te1Pb2S1
4
123
127.15
mp-1187273
11.125847
8.664982
2.41689
other
Tb2Pr2O5
9
123
152.16
mp-1215421
-3.226519
-2.198271
-5.354974
other
Yb1Ag1S2
4
123
83.26
mp-1178524
-1.176629
1.897351
-1.731779
other
Ba1Ca1I4
6
123
265.44
mp-1222108
-5.974343
-10.467025
5.582931
other
Mg4Si1Ge1
6
123
128.15
mp-1206960
-6.848158
-6.166523
6.075402
other
Tb2Ti1Ge2
5
123
129.02
mp-1206079
-2.941737
-7.028899
1.368585
other
Th2Co3P3
8
123
517.28
mp-1207295
-4.867918
-4.808977
6.479914
other
Nd2Mn1Si2
5
123
115.93
mp-1217893
-6.261047
-2.771866
5.34112
other
Ta1Nb1Al6
8
123
125.45
mp-1221610
-6.016792
-3.059987
-2.168967
other
Mn1Ge1Te2
4
123
103.33
mp-1227941
8.232429
10.327556
1.366064
other
Ba1Co1O2
4
123
62.28
mp-1102237
-7.868906
-4.114948
5.778541
other
Lu2Ga8Fe1
11
123
197.64
mp-1207305
-5.252049
-4.587757
5.519003
other
Y2Si3Pt3
8
123
163.15
mp-1097889
8.3603
11.338984
-1.019357
other
Ni1Br1O1
3
123
49.99
mp-1220873
-3.552094
-1.509787
-5.337241
other
Na1Sb1S2
4
123
87.2
mp-1206390
-2.867059
-8.316376
1.34631
other
Sm2Ag1Sb3
6
123
3,483.48
mp-1207994
-4.48537
-4.048564
1.824409
other
U2N1Cl2
5
123
153.98
mp-1206499
1.154426
1.548122
-3.548929
other
Dy2Cl2O1
5
123
219.87
mp-1220874
-4.505869
-2.841155
-3.636316
other
Na1Sb1Se2
4
123
99.91
mp-1209657
-5.623013
-4.068674
2.178359
other
Pu2Cl2O1
5
123
164.02
mp-1224173
-7.736353
-4.703212
4.236851
other
Hf1Zn2Ga1
4
123
63.82
mp-1217015
-6.23265
-1.915379
4.862414
other
Ti1Al2V1
4
123
61.06
mp-1218140
-8.050405
-1.554946
2.583928
other
Ta1Al4Ni15
20
123
226.93
mp-1206507
-5.308879
-4.606867
5.335147
other
Th2Si3Pt3
8
123
173.07
mp-1225570
1.007036
1.298295
-0.847669
other
Dy1H1C4
6
123
84.95
mp-639659
-8.190206
-3.283813
3.064353
other
In1Cu1Pt2
4
123
61.89
mp-1147676
8.432138
9.731078
0.611436
other
Ba1Au1O2
4
123
70.97
mp-1228288
-8.112726
-1.618548
2.48769
other
Al4Ni15Ge1
20
123
225.77
mp-1220192
-7.337441
-6.111896
6.560677
other
Nd5Mg1Al4
10
123
265.1
mp-974591
8.152998
8.499122
-0.07632
other
Rb4N1O1
6
123
173.25
mp-1210842
0.418571
1.572658
-3.361897
other
Lu2I2O1
5
123
267.76
mp-1207127
-8.381485
-4.434578
2.215659
other
Cu2Sn2Pd4
8
123
126.71
mp-1206181
-8.156219
-5.395885
4.241834
other
Gd1In5Rh1
7
123
161.28
mp-1207187
-8.026398
-5.795666
4.655777
other
Tb2In8Co1
11
123
258.92
mp-1207278
-5.329063
-4.131168
2.111557
other
U2Sb1S2
5
123
131.7
mp-1207260
-3.016959
-1.847701
-3.84217
other
Pr2S2F1
5
123
403.13
mp-1209624
-6.124707
-4.372494
2.21191
other
Pu2I2O1
5
123
219.53
mp-1217261
-5.393267
-3.829373
0.256185
other
Th1U1Te2
4
123
122.01
mp-1222334
5.772674
17.226389
-1.482361
other
Li1Co1O2
4
123
34.57
mp-997030
6.972584
9.323669
-0.952554
other
Ca1Ag1O2
4
123
54.12
mp-1212026
-2.918769
-8.303839
1.397432
other
La2Ag1Sb3
6
123
2,191.75
mp-636565
-8.140862
-5.293846
3.934261
other
Yb1In5Ir1
7
123
166.06