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-1028086
-7.59347
-10.095011
6.507438
other
Y1Mg14Zr1
16
38
378.82
mp-1021398
-7.041409
-10.948264
5.045878
other
Li2Mg12Sn2
16
38
359.32
mp-1064469
-2.521967
0.539594
2.005854
other
Yb1Ni1C2
4
38
48.14
mp-1026852
-6.584202
-11.061787
5.957659
other
K1Sr1Mg14
16
38
420.41
mp-779354
11.071143
1.724887
2.536335
other
Fe6O1F11
18
38
222.84
mp-1224494
-7.904854
-3.620924
4.917696
other
Hf4Al4Rh4
12
38
201.51
mp-1016617
-8.388148
-11.19966
6.019743
other
Mg12Cr2Mo2
16
38
315.66
mp-1216033
-7.491106
-1.103547
6.053015
other
Y4Al4Fe4
12
38
217.14
mp-1026424
-7.657208
-10.526804
6.226923
other
Mg14Ti1Ga1
16
38
348.33
mp-1016625
-7.926628
-10.217972
6.498594
other
Hf2Mg12Cr2
16
38
341.91
mp-1178254
12.019191
11.661777
-0.194932
other
Fe7O7F1
15
38
191.85
mp-1222488
-7.473158
-0.962076
6.037134
other
Lu4Al4Fe4
12
38
208.45
mp-1026808
-8.124247
-10.686246
6.428521
other
Ce1Mg14W1
16
38
357.4
mp-1021282
-6.72097
-10.96338
5.595495
other
Na2Li2Mg12
16
38
376.8
mp-1220594
-6.510811
-1.141974
3.990989
other
Nb4Cr4Ni4
12
38
162.24
mp-1221842
-5.625426
0.321086
3.259038
other
Mn3B4Mo3
10
38
103.59
mp-1001603
-2.4857
0.638501
2.360918
other
Lu1Ni1C2
4
38
45.44
mp-1022063
-7.193391
-11.362791
4.67404
other
Mg12Cu2Sb2
16
38
345.11
mp-1027932
-7.707949
-10.107173
6.47137
other
Mg14Zr1Ti1
16
38
358.65
mp-1219323
-7.202845
-1.194151
5.048345
other
Sc4Mn4Cr4
12
38
172.23
mp-1215279
-6.615374
-2.153947
4.173985
other
Zr4V4Ni4
12
38
184.13
mp-1016593
-7.691072
-10.774644
5.739236
other
Mg12Nb2Bi2
16
38
355.76
mp-1021747
-7.002988
-11.272414
6.176161
other
Rb1Mg6V1
8
38
211.33
mp-1027852
-7.743875
-10.076577
6.470327
other
Mg14Zr1Nb1
16
38
353.35
mp-1028257
-6.955315
-10.928298
5.867647
other
Sr1Mg14Al1
16
38
385.42
mp-1026525
-7.316823
-11.085629
6.305455
other
Mg14Nb1B1
16
38
332.33
mp-1099325
-7.675894
-9.9744
6.404603
other
La1Mg6Ga1
8
38
197.2
mp-11723
-2.583845
0.644436
2.411858
other
Er1Ni1C2
4
38
46.86
mp-1027829
-7.238653
-11.035413
5.129311
other
Mg14Cu1Sn1
16
38
351.61
mp-1216664
-7.508066
-0.916595
6.065345
other
Tm4Al4Fe4
12
38
210.04
mp-1026602
-7.966891
-11.139816
5.759873
other
Mg14Sn1W1
16
38
346.04
mp-1206077
-7.201998
-4.137221
4.856595
other
Er2Ge6Pt1
9
38
181.91
mp-1028216
-7.615344
-10.385813
6.264666
other
Mg14Zr1Al1
16
38
355.36
mp-1099339
-8.275969
-11.41709
6.292171
other
Na1Mg6W1
8
38
170.51
mp-675424
13.086563
5.776986
-5.959636
other
Ba6P6O21
33
38
566.5
mp-1099094
-6.900961
-11.387399
5.888731
other
Na1Mg14B1
16
38
348.86
mp-1225474
-7.150797
-4.404099
5.559954
other
Er12Ga9Ge11
32
38
643.45
mp-1016645
-8.002882
-11.317238
5.321751
other
Mg12Sb2Mo2
16
38
332.94
mp-1022043
-7.859469
-10.21368
6.475048
other
Hf2Mg12Co2
16
38
318.61
mp-1016653
-8.678481
-11.321877
6.127953
other
Mg12Cr2W2
16
38
311.55
mp-1224498
-6.238901
-3.592359
4.11497
other
Hf5Zr5Ga6
16
38
318.69
mp-1021164
-7.819142
-9.561034
6.71347
other
Ce2Hf2Mg12
16
38
381.76
mp-1022538
-7.919169
-10.225657
6.408464
other
Mg12Zr2V2
16
38
345.95
mp-1017314
-7.437909
-10.48999
6.54849
other
Hf2Mg12Si2
16
38
334.35
mp-1022736
-7.822052
-9.76195
6.834249
other
Y2Mg12Nb2
16
38
370.91
mp-1023151
-7.818975
-10.905064
5.523704
other
Mg12Mn2Co2
16
38
302.06
mp-1222081
-8.976426
-4.021689
3.544102
other
Mn4In4Cu4
12
38
185.95
mp-998306
-0.545466
1.488065
-4.784594
original
Cs1Pd1Br3
5
38
151.64
mp-1022940
-7.432281
-11.244902
4.520172
other
Mg12Mn2Bi2
16
38
361.25
mp-1017128
-7.055423
-11.544808
4.91315
other
Mg12Bi2C2
16
38
338.78
mp-1222060
-7.24771
-6.932493
3.627727
other
Mg4Al4Ag4
12
38
224.13
mp-1217776
-7.840405
-1.659369
2.76695
other
Ti8Nb4Ni36
48
38
575.99
mp-1219322
-5.909969
-1.480172
4.189486
other
Sc2V8Si6
16
38
228.44
mp-1225781
-5.190507
-4.506536
5.940487
other
Dy6Sc6Si6
18
38
407.8
mp-1028149
-6.902996
-11.334539
6.032825
other
Ca1Mg14B1
16
38
361.54
mp-1022632
-7.540826
-10.147643
6.416636
other
Y2Mg12Cd2
16
38
385.06
mp-1223834
-5.495607
-3.410213
4.770954
other
Hf2Al1Si1
4
38
72.96
mp-1021353
-6.381882
-11.101211
5.738179
other
K2Li2Mg12
16
38
418.93
mp-1022076
-7.401042
-11.096656
5.152308
other
Mg12Cd2Cu2
16
38
330.15
mp-1220053
-8.046899
-0.17835
5.700382
other
Pr4Fe4Cu4
12
38
211.22
mp-1098256
-6.632123
-11.472278
5.85149
other
Na1Mg6C1
8
38
185.7
mp-1305834
10.998263
12.675731
-3.678999
other
V4Zn1O10
15
38
215.28
mp-1220472
-6.280887
-2.762023
3.939363
other
Nb4Ga4Cu4
12
38
175.4
mp-1021162
-7.236509
-10.706447
6.558178
other
Ce1Mg6C1
8
38
178.33
mp-1022553
-7.324063
-10.829478
6.578633
other
Mg6Zr1C1
8
38
179.58
mp-1016342
-6.736756
-11.153655
5.201719
other
Sr2Mg12Sb2
16
38
420.79
mp-1022652
-6.485564
-11.212695
5.900446
other
Ba2Mg12Zn2
16
38
431.21
mp-672646
-8.542191
-0.598523
4.752274
other
Sm2In3Co9
14
38
219.38
mp-1099282
-7.65676
-10.924493
5.373555
other
Mg6Cu1Ni1
8
38
144.74
mp-1017241
-6.903837
-11.533598
5.610998
other
Mg6Ga1B1
8
38
155.8
mp-1021276
-7.14645
-10.994689
5.245403
other
Li2Mg12Cd2
16
38
351.75
mp-754086
-4.428276
-1.491639
-5.841585
other
Li4Cu2S4
10
38
182.01
mp-1026580
-6.997357
-10.999126
5.331694
other
Sr1Mg14Bi1
16
38
399.21
mp-1022485
-7.903615
-10.942349
5.561165
other
Mg12Fe2Co2
16
38
275.21
mp-1021701
-6.865414
-11.30037
6.096407
other
K2Mg12V2
16
38
398.09
mp-1022033
-7.327311
-10.997482
4.696327
other
Mg12Co2Sb2
16
38
321.56
mp-1023293
-7.029239
-11.087213
5.910532
other
Ca2Mg12Fe2
16
38
367.08
mp-1226092
-5.563563
0.632218
3.212168
other
Cr2Ni3B6
11
38
87.61
mp-1028062
-7.03776
-11.013399
5.918255
other
Sr1Mg14Mn1
16
38
383.74
mp-1027863
-7.618228
-10.418515
6.205375
other
Mg14Zr1Ga1
16
38
354.54
mp-1022093
-7.630415
-10.958466
5.403647
other
Mg12Co2Cu2
16
38
292.25
mp-1027868
-7.698004
-10.015864
6.4915
other
Hf1Mg14Zr1
16
38
363.04
mp-1099280
-6.837322
-11.17377
5.911558
other
Sr1Mg6Fe1
8
38
193.82
mp-1026871
-6.718778
-11.450426
5.950642
other
K1Mg14B1
16
38
374.86
mp-1028307
-7.259702
-11.424891
5.939426
other
Mg14V1B1
16
38
334.14
mp-20063
-6.764194
-5.329249
5.017183
other
Li3Ce5Ge4
12
38
288.91
mp-1099292
-7.261496
-11.176453
4.665861
other
Mg6Ni1Sb1
8
38
165.18
mp-1028281
-7.508907
-11.037619
5.325491
other
Mg14V1Sb1
16
38
355.01
mp-1028056
-7.682825
-10.41554
6.226655
other
Mg14Zr1Ni1
16
38
342.21
mp-1023306
-7.14117
-10.794937
5.201466
other
Mg12Al2Cd2
16
38
346.26
mp-1092251
-6.981594
-4.39018
5.160279
other
Nd2Cu1Ge6
9
38
187.84
mp-1022143
-6.504303
-11.354527
5.698308
other
K2Mg12Cu2
16
38
403.68
mp-1099271
-7.602816
-10.030347
6.42664
other
La1Mg6Zn1
8
38
197.53
mp-1026581
-6.607678
-11.027996
6.027793
other
Ba1Sr1Mg14
16
38
426.39
mp-1026519
-7.099166
-11.465127
5.228572
other
Mg14Bi1B1
16
38
358.92
mp-1021409
-6.451039
-11.275691
5.595917
other
Rb2Mg12Sn2
16
38
439.1
mp-1016600
-7.696302
-10.778825
5.742137
other
Mg12Nb2Bi2
16
38
356.31
mp-1022082
-8.025663
-10.954042
5.775753
other
Mg12V2Co2
16
38
295.83
mp-1099336
-6.606673
-11.155499
6.019854
other
Sr1Mg6Si1
8
38
196.71
mp-1026789
-7.179358
-11.000615
5.064606
other
Li1Mg14Sb1
16
38
365.18