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-1068782
-4.921589
-3.491119
6.091732
other
Sm1Si3Os1
5
107
88.02
mp-1227958
-8.306456
-6.173
2.374659
other
Ba1Ge1Au3
5
107
117.86
mp-13123
-7.765336
-3.25247
4.963768
other
La1Ge3Rh1
5
107
99.22
mp-1068639
-5.150306
-3.435811
6.018492
other
Sm1Si3Ir1
5
107
87.24
mp-1069809
-4.351489
-4.495472
5.676336
other
Ba1Si3Pt1
5
107
99.46
mp-30433
-7.208378
-5.516918
2.777886
other
Ba1Sn3Pt1
5
107
136.51
mp-20722
-7.387605
-1.857261
5.429565
other
Ce1Fe1Ge3
5
107
93.01
mp-1216850
-8.088431
-2.162432
3.239124
other
Ti1Cu1Ni1
3
107
37.87
mp-1008925
-5.877359
-0.658768
2.151488
other
Li1Fe1P1
3
107
33.65
mp-1226619
-6.615596
-4.446402
6.099646
other
Ce1Be1Al3
5
107
91.78
mp-1227345
-6.157455
-7.107391
2.292331
other
Ba1Tl3Au1
5
107
160.34
mp-1070753
-5.091666
-3.43199
5.85873
other
Ce1Co1Si3
5
107
79.4
mp-1069379
-5.105822
-3.592219
5.797463
other
Gd1Co1Si3
5
107
79.88
mp-1068664
-5.217767
-3.340833
5.766569
other
Th1Co1Si3
5
107
81.56
mp-1219803
-7.454357
-4.855923
5.862051
other
Pr1Al3Ag1
5
107
102.82
mp-1206380
-7.976955
-5.571736
3.183205
other
Pr2Cu4Sn5
11
107
252.54
mp-1101629
6.223065
8.596678
-0.096821
other
Ba8Bi4O17
29
107
566.1
mp-1225459
-8.409348
-1.886413
3.032445
other
Er1Si1Ni3
5
107
72.17
mp-1068775
-4.956569
-3.512745
6.058839
other
Nd1Si3Os1
5
107
89.46
mp-1068447
-6.505925
-5.178988
3.877356
other
Ba1Ge3Pd1
5
107
109.59
mp-1218382
-5.31958
-6.284103
1.262489
other
Sr4Bi2O1
7
107
223.31
mp-1070063
-7.755582
-4.685936
5.062017
other
Ce1Al3Au1
5
107
101.68
mp-1225249
-4.934227
-4.977448
5.8946
other
Eu1Al3Si1
5
107
102.53
mp-1228809
-5.880226
-1.844601
4.990977
other
Al1Re1Si1
3
107
40.41
mp-1070124
-5.069843
-3.693176
5.984178
other
La1Si3Rh1
5
107
89.96
mp-1068807
-4.8671
-3.757982
6.140283
other
Eu1Si3Rh1
5
107
87.64
mp-1276591
13.177869
11.689594
-0.062501
other
Li2V6O8
16
107
159.43
mp-1076933
-7.4662
-4.516543
5.863762
other
Gd1Al3Cu1
5
107
91.15
mp-1227962
-6.985659
-6.917329
3.226394
other
Ba1Cd3Ga1
5
107
134.48
mp-1213298
-8.485347
-5.52623
4.03752
other
Dy10In20Pd10
40
107
867.16
mp-637427
-8.411015
-5.543381
3.92626
other
Pr10In20Pd10
40
107
988.52
mp-1207122
-5.089462
-4.005086
5.456697
other
Ce1Si3Pt1
5
107
89.73
mp-1069139
-4.401769
-4.447155
5.829014
other
Sr1Si3Ni1
5
107
85.14
mp-1228817
-6.176075
-1.650585
4.829659
other
Al1Re1Ge1
3
107
42.67
mp-1225162
-4.617929
-4.198065
5.785275
other
Eu1Si3Ni1
5
107
81.64
mp-1009828
-3.993383
-6.108415
4.746179
other
Ba1Si1C1
3
107
93.59
mp-972659
-5.085542
-3.526282
5.860074
other
Sm1Co1Si3
5
107
79.47
mp-1068239
-7.139623
-4.513762
3.922526
other
Sr1Ge3Pt1
5
107
103.08
mp-1218199
2.453603
2.941533
-4.026997
other
Ta5N10Cl17
32
107
904.67
mp-1218256
-6.670859
-6.904527
3.025194
other
Sr1In3Hg1
5
107
140.42
mp-1200150
-7.591002
-3.655237
4.283811
other
Zr10Ga20Ni10
40
107
609.65
mp-30834
-7.170909
-5.695838
2.859237
other
Sr1Sn3Pd1
5
107
131.88
mp-1228651
-5.271046
-5.978737
0.622373
other
Ba1Zn2Sb2
5
107
232.61
mp-30269
-7.663034
-3.772067
4.403589
other
Hf10Ga20Ni10
40
107
614.02
mp-1205509
-7.979624
-5.578618
3.193257
other
Nd2Cu4Sn5
11
107
249.61
mp-1069443
-7.606239
-4.355541
5.540379
other
Ce1Al3Cu1
5
107
94.89
mp-1216602
-8.208151
-4.607471
1.810407
other
Tl2Pd9Pb1
12
107
205.84
mp-1227967
-5.991873
-6.461733
3.272603
other
Ba1Ga3Sn1
5
107
129.09
mp-1070369
-5.148663
-3.495376
6.022285
other
Nd1Si3Ir1
5
107
88.58
mp-1397541
7.764121
9.329205
-1.455063
other
Ti1Bi2O6
9
107
140.32
mp-1219795
-6.711134
-1.707484
0.75416
other
Ni6Sn1Se2
9
107
128.12
mp-531980
-5.935617
-3.200789
-2.71046
other
Tl8Ag36Te22
66
107
1,663.86
mp-1069765
-5.038295
-3.61507
6.058344
other
Sm1Si3Rh1
5
107
86.2
mp-1068048
-7.030464
-6.180662
2.770067
original
Ba1Sn3Au1
5
107
144.11
mp-35152
3.267995
-0.842067
-2.243117
other
Sr2H5Rh1
8
107
110.46
mp-1210541
-8.485626
-5.598544
4.087278
other
Nd10In20Pd10
40
107
916.86
mp-1226650
-7.428305
-4.795344
5.619506
other
Ce1Al3Ag1
5
107
102.79
mp-1069375
-7.525916
-4.433574
5.800855
other
Nd1Al3Cu1
5
107
94.2
mp-13072
-7.758615
-3.272629
4.932956
other
Pr1Ge3Rh1
5
107
97.97
mp-1206925
-7.70117
-5.05755
4.916786
other
Ce1Ga3Cu1
5
107
101.92
mp-1069461
-5.16698
-3.34727
5.96629
other
Ho1Si3Ir1
5
107
84.54
mp-1008927
-6.254536
-1.052895
1.88873
other
Li1Fe1As1
3
107
36.51
mp-1224987
-6.397044
-2.198234
-1.24697
other
Fe4Te3Se1
8
107
171.05
mp-1068906
-5.139049
-3.424202
5.88276
other
Ce1Si3Ir1
5
107
88.37
mp-1068827
-5.011952
-3.569221
5.998209
other
Tb1Si3Rh1
5
107
84.36
mp-1068653
-4.998965
-3.489574
5.940689
other
Ca1Si3Ir1
5
107
86.74
mp-1219033
-8.253218
-5.511191
4.555299
other
Sm1Ga3Au1
5
107
97.91
mp-1225212
-5.304968
-1.574874
-3.564824
other
Fe4Se3Br1
8
107
153.41
mp-1069707
-4.946815
-3.432014
6.105891
other
Eu1Si3Ir1
5
107
90.19
mp-1069708
-7.372204
-3.779877
4.491256
other
Ba1Ge3Ir1
5
107
107.25
mp-1069603
-7.637941
-4.692834
5.366196
other
La1Al3Au1
5
107
103.95
mp-1215181
-6.071466
-3.410143
3.927436
other
Zr1Ti1Cu1
3
107
51.65
mp-563025
7.500324
9.319066
-0.382243
other
Na6Pb1O5
12
107
163.56
mp-1069825
-7.528322
-4.44029
5.796202
other
Pr1Al3Cu1
5
107
95.35
mp-1069604
-4.543959
-4.378817
5.725013
other
Ca1Si3Pt1
5
107
88.07
mp-1218994
-6.881114
-3.300412
-0.099296
other
Sn1Te2Pd6
9
107
175.15
mp-21116
-7.704731
-3.051479
5.152356
other
Ce1Co1Ge3
5
107
90.33
mp-1217777
-6.616066
-6.771652
3.411553
other
Sr1Zn1In3
5
107
129.85
mp-1068559
-5.103049
-3.652657
5.749813
other
La1Co1Si3
5
107
83.6
mp-11879
-7.060441
-5.723188
2.9458
other
Ba1Ni1Sn3
5
107
128.86
mp-1068715
-7.640206
-3.073584
4.640875
other
Eu1Ge3Ir1
5
107
101.36
mp-34932
6.863135
1.149419
-3.645473
other
Ca1H1N1
3
107
35.34
mp-1070573
-7.436105
-4.368358
5.82113
other
La1Al3Cu1
5
107
97.71
mp-1208470
-8.507751
-5.506059
3.961666
other
Tb10In20Pd10
40
107
873.02
mp-1070301
-7.643158
-3.94291
4.906801
other
U1Ga3Ni1
5
107
88.69
mp-2914
-5.13228
-3.505911
5.951905
other
La1Si3Ir1
5
107
90.78
mp-1069044
-5.101209
-3.377832
5.792732
other
Tb1Co1Si3
5
107
77.45
mp-1215459
-7.881418
-4.907377
4.525535
other
Yb1Al3Au1
5
107
101.32
mp-11269
-7.107387
-5.73876
2.828264
other
Ba1Sn3Pd1
5
107
137.34
mp-1070146
-5.153785
-3.449318
6.017975
other
Dy1Si3Ir1
5
107
84.97
mp-1068422
-7.246976
-4.754648
4.008307
other
Eu1Ge3Pd1
5
107
100.73
mp-13121
-7.701714
-3.317415
4.869309
other
Ce1Ge3Rh1
5
107
97.47
mp-1217645
-3.822492
-3.866805
0.789709
other
Tb4Cu5P7
16
107
276.61
mp-1070572
-5.027384
-3.433325
5.999503
other
Th1Si3Os1
5
107
89.55
mp-1207945
-8.565132
-5.582065
4.058881
other
Tm10In20Pd10
40
107
850.78
mp-1069204
-5.103696
-3.562334
5.840275
other
Nd1Co1Si3
5
107
81.08
mp-1226631
-8.149838
-5.332616
4.450716
other
Ce1Ga3Au1
5
107
100.88
mp-1068364
-5.069679
-3.505735
5.936306
other
Ce1Si3Os1
5
107
88.65
mp-1069594
-5.12387
-3.358147
5.874293
other
La1Si3Ru1
5
107
90.65
mp-1206197
-8.128464
-5.90845
2.869772
other
Pr2Sn6Au3
11
107
286.3