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-1183135
-7.097322
-1.831198
4.34375
other
Al2Tc1Pd1
4
225
55.14
mp-2943
8.539188
1.18356
1.96181
other
K2Y6F20
28
225
383.25
mp-865920
-8.056533
-6.863254
4.746752
other
Yb1Pm1Zn2
4
225
95.78
mp-569768
-8.436939
-6.966228
3.535801
other
Nd1In1Ag2
4
225
89.1
mp-1183063
-6.774057
-7.442618
4.968011
other
Ac2Cd1Ge1
4
225
125.59
mp-1186414
-5.712386
-4.251163
-0.940647
other
Pa1Hg1Te2
4
225
112.48
mp-862907
-7.027829
-9.357849
5.974011
other
Ca1Ce1Mg2
4
225
121.69
mp-861604
-5.951033
-7.30621
3.25504
other
Ca2Tl1Pb1
4
225
118.12
mp-865433
-8.390362
-6.266308
6.694875
other
Y2Mg1Ru1
4
225
89.56
mp-1183633
-8.402123
-5.001855
2.121649
other
Cd1Pd2Au1
4
225
66.74
mp-862967
-8.418077
-3.414984
3.610656
other
Pm1Tl1Rh2
4
225
76.63
mp-977535
-8.387947
-6.79183
3.720118
other
Er1Al1Ag2
4
225
76.46
mp-972217
-6.304977
-1.925977
4.149837
other
Ti2Cu1Tc1
4
225
58.12
mp-4047
8.725872
0.937877
1.259638
other
Cs2Si1F6
9
225
172.01
mp-865108
-8.014896
-8.069306
3.575195
other
Na1Sm1Hg2
4
225
99.02
mp-972997
-8.221922
-6.792291
5.2812
other
Ho1Er1Cd2
4
225
100.73
mp-977583
-8.008943
-3.353817
4.266397
other
Li1Np1Ir2
4
225
66.13
mp-755610
9.198013
8.780129
2.47726
other
Ba6Hf1O8
15
225
322.27
mp-567348
-8.673694
-5.085044
3.251214
other
Tm1In1Pd2
4
225
74.92
mp-862377
-6.029294
-1.425295
4.323569
other
Li1Be2Ir1
4
225
41.06
mp-981530
-8.45114
-5.569115
3.5792
other
Yb1Pr1Pd2
4
225
91.39
mp-861872
-6.959918
-7.715233
4.919452
other
Ac2Hg1Ge1
4
225
124.87
mp-1209902
-8.190434
-4.44407
2.202925
other
Nd3Si6Pd20
29
225
467.19
mp-1184476
-7.841413
-6.903389
5.777503
other
Gd2In1Hg1
4
225
99.27
mp-1183503
-5.638642
-6.594468
1.115891
other
Ca2Hg1Bi1
4
225
118.54
mp-1185914
-8.172972
-4.070223
3.348105
other
Mg1Pa1Pt2
4
225
77.69
mp-1184303
-9.051266
-5.80083
4.606698
other
Er1Lu1Pd2
4
225
80.85
mp-863667
-8.054027
-7.037431
5.397405
other
Er2Tl1Ag1
4
225
97.97
mp-864775
-8.29382
-8.010712
3.113819
other
Ho1Ag1Hg2
4
225
86.2
mp-979934
-8.242269
-7.75006
4.555711
other
Y1Er1Hg2
4
225
99.66
mp-1206163
8.383272
1.195729
0.25852
other
In1Ag3F6
10
225
174.21
mp-981312
-8.793014
-5.386867
4.105244
other
Zr1Cu2Hg1
4
225
65.89
mp-1184643
-8.228221
-6.819486
5.646312
other
Ho2In1Hg1
4
225
101.92
mp-1114262
8.669013
0.846236
0.433645
other
Na3Pd1F6
10
225
150.2
mp-1192470
-7.795455
-9.742259
6.771114
other
Pr6Mg23C1
30
225
747.25
mp-13560
-8.701118
-4.462645
2.148242
other
Y1B2Pd7
10
225
152.29
mp-1206658
8.102898
0.79598
1.716751
other
K3Ho1F6
10
225
203.23
mp-1111284
1.310271
2.168589
-5.317362
other
Li3Sc1Cl6
10
225
244.12
mp-1183672
-7.482967
-6.597772
5.232137
other
Ca1Tm1In2
4
225
106.41
mp-867274
-6.389069
-1.206352
4.056431
other
Be2Co1Ir1
4
225
39.24
mp-1187491
-8.513509
-4.740129
3.277937
other
Ti1Zn2Pd1
4
225
57.45
mp-1186616
-7.927764
-8.814738
6.443053
other
Pm1Mg2Sc1
4
225
103.84
mp-570203
-6.733452
-2.220461
1.317367
other
Mn8Co8Sb8
24
225
397.41
mp-862368
-8.205284
-4.34907
4.405136
other
Sc2Ni1Pt1
4
225
67.17
mp-1187605
-9.092239
-6.208952
4.609924
other
Tm2Pd1Au1
4
225
84.24
mp-570798
-7.668674
-4.279623
1.363615
other
Er3P6Pd20
29
225
449.85
mp-1183463
-5.877828
-7.186327
3.96739
original
Ca2Zn1Ga1
4
225
97.31
mp-862556
-7.428299
-4.309502
3.573444
other
Sc1Si1Pd2
4
225
63.08
mp-1183717
-8.791515
-6.13709
2.943649
other
Ce1Mg1Au2
4
225
89.06
mp-1186185
-6.346907
-7.21147
2.317971
other
Na1Tl2In1
4
225
107.39
mp-864661
-8.649542
-4.546569
2.315654
other
Zn1Cu1Pd2
4
225
54.22
mp-1113152
8.131897
0.663156
0.864283
other
Cs3Tl1F6
10
225
239.93
mp-1185058
-7.693881
-8.402906
6.685564
other
La1Pr1Mg2
4
225
122.72
mp-540735
-0.394756
0.827683
-4.341389
other
Cs2U1Br6
9
225
351.75
mp-1187608
-8.908343
-5.908548
6.29274
other
Tm2Cu1Rh1
4
225
76.94
mp-1111607
1.513407
2.404175
-5.449492
other
Na3Sb1Cl6
10
225
305.44
mp-1096932
-0.904421
2.283262
-3.192977
other
Cu2Ge1I6
9
225
326.99
mp-1206362
-8.077373
-3.824628
3.040686
other
Hf1Al1Pt2
4
225
67.36
mp-1187419
-6.47923
-1.95841
4.209359
other
Ti2Ga1Tc1
4
225
60.6
mp-861881
-8.503976
-6.01268
2.314176
other
Li1Ge1Au2
4
225
64.85
mp-864857
-7.187733
-1.128722
3.495724
other
Nb1Zn1Co2
4
225
51.41
mp-976972
-8.864151
-5.969952
5.224093
other
Ho1Tm1Cu2
4
225
78.93
mp-1184754
-5.031879
-6.419878
0.889838
other
K2Rb1Bi1
4
225
164.18
mp-1183191
-8.108427
-2.406441
3.592227
other
Al1Cu1Rh2
4
225
51.9
mp-569885
1.346748
2.529949
-5.328579
other
Cs2Ta1Cl6
9
225
280.34
mp-568333
-0.442462
1.127323
-4.417779
other
K2Sn1Br6
9
225
301.77
mp-1186941
-8.516465
-4.91418
4.356471
other
Sc2Cu1Pd1
4
225
70.04
mp-865931
-6.27524
-1.980709
3.942383
other
Ti2Tc1Pd1
4
225
60.4
mp-1187730
-8.489644
-6.238644
6.435663
other
Y2Zn1Rh1
4
225
84.5
mp-1185397
-8.878113
-6.385732
2.932999
other
Li1Nd1Au2
4
225
86.33
mp-1185618
-8.231274
-2.305523
3.48035
other
Mg1V1Rh2
4
225
56.02
mp-865707
-8.370669
-2.693147
3.59248
other
Ti1Sn1Rh2
4
225
62.94
mp-1184007
-7.165754
-6.047397
5.214375
other
Ce2Mg1In1
4
225
109.58
mp-864974
-6.857373
-2.648664
4.484632
other
Hf2Cu1Os1
4
225
67.6
mp-600125
-8.762499
-4.835615
4.328249
other
Hf1In1Cu2
4
225
63.81
mp-867834
-8.0377
-3.799109
3.146607
other
Li1Hf1Pt2
4
225
63.62
mp-1185334
-7.956454
-7.740057
3.667622
other
Li1Ce1Hg2
4
225
96.3
mp-1183779
-8.44837
-2.902306
3.506084
other
Dy1Rh2Pb1
4
225
74.98
mp-867814
-8.816503
-6.548246
2.724188
other
La1Tl1Au2
4
225
96.7
mp-1078952
3.310981
3.265755
-3.480138
other
Mg1N6Cl2
9
225
142.57
mp-1183453
-6.227498
-7.468029
3.262432
other
Ca2Tl1Hg1
4
225
110.57
mp-865987
-7.618332
-6.454439
2.71258
other
Li2Ag1Pd1
4
225
55.6
mp-1183753
-7.862074
-6.252464
5.316126
other
Ce1Ho1In2
4
225
109.93
mp-865966
-7.913803
-2.084847
3.938065
other
Be1Al1Ir2
4
225
49
mp-863664
-7.537913
-6.655748
6.056592
other
Pm2Cu1Ge1
4
225
92.8
mp-1214002
-7.617382
-4.334318
1.479741
other
Ce3P6Pd20
29
225
465.68
mp-1187225
-6.561021
-0.288614
3.57629
other
Ta1Fe2Ge1
4
225
50.77
mp-1006057
-7.812865
-6.477881
5.53089
other
La1Pr1In2
4
225
121.16
mp-1184371
-8.913539
-6.140719
6.62518
other
Gd2Ag1Ir1
4
225
88.31
mp-865790
-7.756363
-7.711186
2.949535
other
Yb1In1Hg2
4
225
98.43
mp-1185542
-4.064159
-6.979887
1.598662
other
Cs1K2Rb1
4
225
348.97
mp-865128
-5.330296
-7.473798
3.337431
other
Na1Sr2Tl1
4
225
144.78
mp-30658
-7.829849
-1.61372
2.791278
other
V1Ga1Ni2
4
225
48.69
mp-1212354
-8.182565
-4.415478
2.159139
other
Ho3Si6Pd20
29
225
455.04
mp-976261
-5.516179
-7.192449
3.619596
other
Na1Ca2In1
4
225
124.88
mp-1187264
-8.964582
-5.65213
6.380398
other
Tb2Ni1Ir1
4
225
80.32
mp-1079126
3.150949
-0.56996
-2.080068
other
Eu2Fe1H6
9
225
96.05
mp-1187885
-7.181098
-6.659844
4.187593
other
Yb2Cd1Ga1
4
225
101.14
mp-1185917
-8.938558
-6.355938
2.719452
other
Mg1Pa1Au2
4
225
84.22
mp-1185960
-8.896821
-5.894042
2.973649
other
Mg1Sc1Au2
4
225
73.54