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-983236
-8.197989
-6.535975
6.586597
other
Pm2Zn1Os1
4
225
89.17
mp-1186472
-8.330566
-6.774781
6.696597
other
Pm2Mg1Ru1
4
225
95.32
mp-27839
1.405942
2.517188
-5.263774
other
K2Ti1Cl6
9
225
235.95
mp-866178
-6.040992
-6.668978
4.668137
other
Li2Nd1Al1
4
225
80.6
mp-867218
-8.226496
-8.048078
3.12359
other
Sm1Ag1Hg2
4
225
90.43
mp-1194313
-8.505404
-0.4771
2.486815
other
Hf2Ni21B6
29
225
296.08
mp-1192818
-7.736262
-9.52139
6.34883
other
Ce6Mg23Sn1
30
225
760.18
mp-865231
-6.977157
-7.185097
4.369698
other
Li1Sc1Tl2
4
225
87.5
mp-865250
-6.021396
-1.192002
4.099874
other
Tm1Tc2W1
4
225
67.36
mp-982069
-9.075768
-5.511536
6.184694
other
Y1Tm1Ir2
4
225
77.74
mp-1110725
1.182459
2.349585
-5.875747
other
Rb3Tb1Cl6
10
225
383.38
mp-862950
-8.496279
-5.318454
2.838588
other
Pm1Pd2Pb1
4
225
83.64
mp-865252
-8.481243
-2.958191
3.533842
other
Tm1Sn1Rh2
4
225
70.33
mp-978662
-7.836239
-3.057202
5.331311
other
Sc6Al16Ir7
29
225
466.53
mp-1187013
-9.14627
-5.473879
6.263952
other
Sm1Er1Ir2
4
225
82.21
mp-1110859
1.414931
2.482274
-5.750492
other
K3Ga1Cl6
10
225
304.72
mp-866072
-8.001221
-2.706937
3.692812
other
Mg1Ta1Rh2
4
225
61
mp-1184724
-8.88784
-5.821332
6.646125
other
Ho2Co1Ru1
4
225
76.19
mp-1184977
-6.022528
-6.049657
0.519923
other
Li2Ag1Bi1
4
225
74.88
mp-862937
-8.756572
-6.790155
4.89788
other
Pm1Mg1Zn2
4
225
81.89
mp-862795
-7.967658
-6.954993
4.143359
other
Ca1La1Ag2
4
225
105.69
mp-1147679
7.815684
10.467882
-0.666921
other
In1Cu6O8
15
225
191.63
mp-1184762
-8.01343
-6.590982
5.719306
other
Gd1Er1In2
4
225
105.46
mp-30350
-6.83101
-6.813082
2.649205
other
Li2Ag1Sn1
4
225
69.94
mp-865361
-8.577927
-6.321623
6.799067
other
Tm2Mg1Os1
4
225
83.52
mp-865147
-6.225897
-1.35232
4.278404
other
Be2Cu1Ru1
4
225
39.94
mp-1187008
-8.606179
-2.853204
3.889463
other
Sm1Ga1Rh2
4
225
70.56
mp-865148
-6.050332
-1.54714
4.276778
original
Pa1Al1Tc2
4
225
68.1
mp-862536
-8.566279
-5.840783
6.104887
other
La2Cu1Ir1
4
225
94.95
mp-865522
-8.971334
-6.333791
2.899141
other
Y1Cd1Au2
4
225
83.17
mp-759844
10.098512
0.930483
1.490145
other
Li6Mn1F8
15
225
149.69
mp-1186556
-7.65143
-7.455579
5.661381
other
Pm1Dy1Tl2
4
225
111.08
mp-1183740
-7.133673
-0.889451
3.063985
other
Cr1Co2Ge1
4
225
47.32
mp-621348
-8.753338
-6.231166
2.638849
other
Ti1In1Au2
4
225
74.32
mp-865590
-7.903034
-7.072989
4.5846
other
Gd1Mg1Cd2
4
225
93.6
mp-1185230
-7.428178
-7.362344
5.478845
other
La1Gd1Tl2
4
225
118.51
mp-1114133
8.795035
1.546967
1.072804
other
Na3Ru1F6
10
225
146.31
mp-862632
-5.417037
-7.128536
3.961363
other
Li1Ca2Al1
4
225
110.59
mp-865066
-8.527236
-2.936122
3.990424
other
Hf1In1Rh2
4
225
66.64
mp-1184527
-7.544884
-7.427808
5.576541
other
Gd1Dy1Tl2
4
225
109.12
mp-1188878
-5.575187
-1.042215
-3.710522
other
Co8Rh1S8
17
225
242.71
mp-864939
-7.319688
-3.364879
4.333656
other
Hf2Cu1Ir1
4
225
69.5
mp-866195
-6.704772
-7.059063
4.656877
other
Li2La1Tl1
4
225
88.83
mp-21475
-9.185538
-5.104116
4.420038
other
Sm1In1Cu2
4
225
74.37
mp-1110724
1.232587
2.440363
-5.961143
other
Rb3Y1Cl6
10
225
381.69
mp-865908
-6.887722
-7.020066
3.537236
other
Yb2Hg1Pb1
4
225
112.31
mp-861941
-9.047902
-5.894186
6.568085
other
Ho2Pd1Ru1
4
225
79.36
mp-1187932
-6.695972
-6.992
3.961535
other
Yb2Tl1Ga1
4
225
106
mp-978083
-8.162307
-6.940344
5.241224
other
Pr2Zn1Ag1
4
225
104.51
mp-5436
-7.053806
-0.599878
3.266473
other
Fe1Co2Si1
4
225
43.88
mp-1100779
-8.209141
-3.796891
3.146266
other
Zr1Zn1Pt2
4
225
68.16
mp-867311
-5.957985
-3.808787
-1.985785
other
Ac1Ag1Te2
4
225
122.52
mp-979433
-8.820909
-6.023602
5.071767
other
Y1Lu1Cu2
4
225
79.27
mp-861915
-8.6616
-6.287046
6.633313
other
Li1Dy2Ir1
4
225
82.65
mp-865742
-7.82251
-7.742208
2.800272
other
Yb1Cd1Hg2
4
225
96.02
mp-1187504
-8.836572
-6.305995
2.997543
other
Yb1Sm1Au2
4
225
95.36
mp-862258
-8.175722
-4.537053
4.409439
other
Sc2Zn1Pt1
4
225
72.05
mp-672689
-7.253275
-1.106787
4.140854
other
Hf6Co16Si7
29
225
359.47
mp-864949
-8.02204
-2.030694
3.319662
other
Mn1Ga1Rh2
4
225
54.74
mp-864909
-7.483597
-1.807385
4.561485
other
Hf1Al1Ru2
4
225
60.32
mp-862922
-8.537161
-3.065974
3.263139
other
Pm1In1Ni2
4
225
70.52
mp-867176
-9.055211
-6.44739
2.833426
other
Pr1Cd1Au2
4
225
90.23
mp-635327
-6.372631
-7.074774
5.227014
other
Na1Y2In1
4
225
158.86
mp-973414
-9.092051
-5.969939
6.459034
other
Lu2Ru1Au1
4
225
78.57
mp-862873
-7.775267
-7.784603
2.968942
other
Ac1Ag1Hg2
4
225
107.77
mp-610190
-7.243154
-4.326446
4.218987
other
Zr9In14Co7
30
225
586.23
mp-861935
-8.400991
-3.066619
3.451542
other
Ca1Sn1Rh2
4
225
70.22
mp-862841
-8.208871
-6.650564
6.824019
other
Li1Pm2Os1
4
225
88.61
mp-631330
-6.111721
-1.321943
4.003759
other
Li1Ta1W2
4
225
63.79
mp-862558
-8.608843
-6.229884
6.626223
other
Li1Er2Os1
4
225
79.51
mp-975896
-7.504394
-7.335384
5.48833
other
Pr1Nd1Tl2
4
225
119.24
mp-1186663
-7.395584
-6.043038
6.640408
other
Pm1Tm1Al2
4
225
94.2
mp-31328
-8.338549
-3.889277
2.146796
other
Mn1In1Pd2
4
225
64.99
mp-977462
-8.875485
-6.27122
2.759048
other
Zr1Cd1Au2
4
225
76.33
mp-865081
-5.8877
-3.845256
-1.967607
other
Na1Ac1Te2
4
225
129.42
mp-866100
-8.966586
-5.906116
6.470579
other
Er2Cu1Os1
4
225
76.77
mp-1207222
1.615896
2.748742
-5.422583
other
Rb2V1Cl6
9
225
244.12
mp-1186649
-8.095714
-4.162543
2.838288
other
Pm1Sn1Pt2
4
225
81.71
mp-1186574
-8.660032
-4.908945
3.160121
other
Pm1Ga1Pd2
4
225
75.02
mp-1194311
-8.660399
-0.430028
2.550235
other
Sc3Ni20B6
29
225
299.74
mp-972204
-6.395519
-0.804675
3.648768
other
V2Mo1Ru1
4
225
55.25
mp-30773
-6.559995
-2.299134
0.962182
other
Mg1Ni2Sb1
4
225
58.67
mp-1207804
-6.705578
-4.424977
0.740753
other
Y6Sb8Pd16
30
225
585.29
mp-976339
-7.863078
-6.515564
6.073624
other
Li1Tm2In1
4
225
98.35
mp-1112965
8.146282
0.76064
1.80938
other
Cs3Sc1F6
10
225
222.97
mp-973099
-8.44819
-5.937821
6.273954
other
La2Pd1Ru1
4
225
95.22
mp-1185515
-8.040609
-8.869008
6.43387
other
Lu1Mg2Sc1
4
225
97.85
mp-1184087
-8.238077
-3.73763
5.146002
other
Dy1Sc1Ru2
4
225
72.18
mp-641775
-5.274383
-6.462033
2.954403
other
Sr19In8N7
34
225
959.94
mp-863715
-8.83502
-6.416725
6.350114
other
Pm2Ir1Au1
4
225
91.96
mp-973788
-8.788451
-5.877781
6.515865
other
Ho2Cu1Tc1
4
225
80.82
mp-980191
-5.059267
-7.550752
3.932585
other
Ba1Sr1Yb2
4
225
196.98
mp-867769
-8.456049
-2.861991
3.825871
other
Sc1Zn1Rh2
4
225
59.5
mp-1185752
-8.275214
-8.780478
5.116667
other
Mg2Cd1Ir1
4
225
69.67
mp-1183243
-8.411826
-5.189106
2.734494
other
Ac1Sn1Pd2
4
225
91.8
mp-864760
-8.662581
-5.308794
3.242995
other
Ho1Cd1Pd2
4
225
75.48
mp-973779
-8.044965
-7.085463
5.312363
other
Nd2Cd1Hg1
4
225
112.12
mp-1110822
-1.166782
2.905482
-2.97221
other
K2Tl2I6
10
225
493.94
mp-866177
-8.28176
-5.179489
2.690188
other
Yb1Ag1Pd2
4
225
72.61
mp-1113633
8.619943
0.603363
1.480525
other
Rb3Al1F6
10
225
172.97