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-1022467
-7.684481
-10.137554
6.343033
other
Mg12Zr2Cd2
16
38
358.24
mp-1016582
-6.490693
-11.097343
5.81888
other
Ba2Mg12Cd2
16
38
439.37
mp-1023239
-6.372428
-10.734756
5.858514
other
Sr2Ca2Mg12
16
38
458.15
mp-1216045
-7.062252
-2.037998
4.860951
other
Zr4Mn4Ga4
12
38
191.1
mp-1027971
-7.232926
-11.018882
5.447331
other
Li1Mg14Zn1
16
38
352.39
mp-1022972
-7.536521
-10.996222
5.562076
other
Li2Mg12Mn2
16
38
334.5
mp-1099329
-7.826535
-9.894255
6.523283
other
Ce1Mg6Ga1
8
38
188.54
mp-850878
8.634563
4.142259
-1.220971
other
Fe4O5F3
12
38
136.31
mp-1021286
-6.515759
-10.972777
5.854948
other
Sr2Li2Mg12
16
38
421.95
mp-1021355
-6.564136
-11.229729
5.752013
other
K2Mg12Ga2
16
38
404.97
mp-1026832
-7.001834
-11.068225
5.849249
other
K1Mg14Cr1
16
38
384.57
mp-1022947
-8.391708
-11.129975
6.035299
other
Mg12Mn2Mo2
16
38
311.76
mp-1021346
-6.212016
-11.007863
5.726892
other
K2Na2Mg12
16
38
448.09
mp-1218015
-7.327128
-1.225808
3.182196
original
Ta2Co2Ni4
8
38
94.79
mp-1016662
-7.321875
-11.580112
5.930261
other
Mg12Cr2B2
16
38
315.61
mp-1224954
-6.19835
-0.49046
3.441131
other
Fe4Si4W4
12
38
152.01
mp-8758
-2.773714
0.350145
2.492682
other
Sm1Rh1C2
4
38
56.68
mp-1022157
-6.6447
-11.32795
5.923586
other
Rb2Mg12Fe2
16
38
398.64
mp-1206398
-7.116126
-3.760161
5.065051
other
Er2Co1Ge6
9
38
172.61
mp-1026664
-6.681099
-11.487498
5.98982
other
Rb1Mg14B1
16
38
383.13
mp-1223147
-5.439908
-4.058583
0.62458
other
La4Cu5As8
17
38
341.55
mp-1026737
-6.735784
-11.333285
6.040855
other
Rb1Mg14C1
16
38
381.62
mp-1224623
-5.806078
-2.599482
3.987969
other
Hf16Mo10S2
28
38
546.33
mp-1028074
-7.426772
-10.990341
5.1225
other
Mg14Mn1Sb1
16
38
354.42
mp-1023148
-7.966472
-11.011924
5.681761
other
Mg12Mn2Fe2
16
38
309.89
mp-1173833
6.479099
11.901466
-1.494295
other
Na4Co6O12
22
38
303.33
mp-1022665
-7.723905
-10.245621
6.497809
other
Mg12Zr2Cu2
16
38
333.98
mp-756247
11.503016
1.530711
2.644574
other
Fe8O2F14
24
38
300.13
mp-1225657
-7.04375
-4.565273
5.304844
other
Er6Sc6Ge6
18
38
413.09
mp-1021686
-7.891132
-11.039106
5.83354
other
Mg12V2Ga2
16
38
327.34
mp-1099116
-7.164138
-10.906372
6.38999
other
Ce1Mg14C1
16
38
365.91
mp-1228156
-7.553645
-6.347836
3.536349
other
Ba2Al5Ag5
12
38
265.97
mp-1026901
-7.701056
-10.517832
6.275985
other
Mg14Nb1Cu1
16
38
339.54
mp-1017091
-6.426231
-11.249718
5.74394
other
Rb2Mg12Cd2
16
38
441.1
mp-1028327
-7.656038
-10.503816
6.332114
other
La1Mg14V1
16
38
377.58
mp-1021658
-7.680513
-11.214064
5.170249
other
Mg12V2Sb2
16
38
345.35
mp-1099095
-7.339835
-10.537494
6.282683
other
Li1Ce1Mg14
16
38
377.7
mp-1022554
-6.803288
-10.633086
6.378356
other
Rb1Mg6Zr1
8
38
209.41
mp-1017350
-7.84039
-11.412894
6.033934
other
Mg12Si2Mo2
16
38
306.02
mp-1021318
-7.801455
-10.369013
6.457107
other
Mg12Ti2Ga2
16
38
333
mp-2232126
10.005244
9.954062
-0.757735
other
Mg1Sb4O10
15
38
218.64
mp-1026739
-7.749763
-10.422593
6.462911
other
Ce1Mg14Cr1
16
38
363.68
mp-1016626
-7.94718
-10.230053
6.511341
other
Hf2Mg12Cr2
16
38
341.66
mp-1026904
-7.100663
-11.457234
5.578491
other
Mg14Cu1C1
16
38
336.05
mp-1022462
-7.558623
-10.492608
5.779151
other
Mg12Zr2Sb2
16
38
361.77
mp-2232367
10.018939
9.995813
-0.776816
other
Mg1Sb4O10
15
38
222.91
mp-1225728
-7.943914
-3.390512
5.761487
other
Er4Al4Co4
12
38
204.26
mp-1027758
-7.312328
-11.011441
5.43443
other
Li1Mg14Co1
16
38
340.57
mp-1225622
-7.502468
-0.959837
6.05884
other
Er4Al4Fe4
12
38
213.68
mp-776957
5.091325
10.975082
-2.373477
other
Fe10O19F1
30
38
318.99
mp-1224481
-7.092454
-3.683564
4.850509
other
Hf4Al4Cu4
12
38
193.76
mp-1022005
-7.001313
-11.006749
5.553991
other
Na2Mg12Ni2
16
38
335.84
mp-780119
12.29901
13.60748
-2.225007
other
V6O11F1
18
38
190.08
mp-1022532
-7.952352
-10.190291
6.401136
other
Mg12Zr2V2
16
38
342.92
mp-1022095
-7.883111
-10.993542
5.769095
other
Mg12V2Cu2
16
38
313.02
mp-1026428
-7.584372
-10.482339
6.214556
other
Hf1Mg14Cd1
16
38
358.77
mp-1017345
-6.15532
-11.076207
5.765757
other
Rb2Na2Mg12
16
38
468.7
mp-1217088
-6.107233
-1.777454
4.840789
other
Ti4Al4Cr4
12
38
176.69
mp-1173361
9.526536
8.730247
0.022873
other
Rb4Sb2O5
11
38
264.59
mp-1217126
-5.618584
-0.707809
2.300868
other
Ti4Fe2P3
9
38
117.97
mp-1016635
-7.501702
-11.233664
4.67203
other
Mg12Cr2Bi2
16
38
363.19
mp-1016659
-6.357497
-11.553545
6.027349
other
Ba1Mg6C1
8
38
215.93
mp-1017487
-6.769132
-10.481258
6.273775
other
Ba2La2Mg12
16
38
477.12
mp-1023303
-6.842498
-10.861508
5.664625
other
Na2Mg12Al2
16
38
367.5
mp-1021322
-8.57056
-11.366074
6.146192
other
Li2Mg12W2
16
38
320.01
mp-1099112
-6.123698
-10.952229
5.793724
other
Rb1Ca1Mg6
8
38
244.31
mp-1021397
-7.678234
-10.525067
6.063135
other
Mg12Nb2Sn2
16
38
342.78
mp-1021696
-7.263776
-11.528665
5.973279
other
Mg12V2B2
16
38
298.38
mp-1027926
-7.383684
-10.997367
5.525833
other
Li1Mg14Fe1
16
38
343.1
mp-10862
-7.017181
-4.361774
4.926073
other
Ho2Ge6Pd1
9
38
181.66
mp-1028084
-7.492252
-10.904493
5.364447
other
Mg14Mn1Cd1
16
38
350.71
mp-1026675
-7.459099
-10.604709
6.254562
other
Hf1Mg14Si1
16
38
347.21
mp-1099086
-8.196818
-11.086803
5.972468
other
Mg14Fe1W1
16
38
324.65
mp-1099281
-8.285728
-11.141187
6.052819
other
Mg6Fe1Mo1
8
38
150.66
mp-1026533
-6.845285
-11.052779
5.831659
other
Ba1Mg14Cd1
16
38
403.43
mp-1023000
-7.197747
-10.989511
5.771012
other
Na2Mg12Mn2
16
38
360.36
mp-1022119
-7.073403
-11.772446
5.630034
other
Mg6Cu1C1
8
38
143.74
mp-760814
9.744884
0.451698
0.142115
other
Li4Cu4F12
20
38
226.77
mp-1021365
-7.244693
-10.590637
6.474371
other
Na2Mg12Ti2
16
38
366.51
mp-1021316
-7.600277
-10.285191
6.492734
other
Li2Mg12Nb2
16
38
339.57
mp-1023394
-7.757747
-10.926621
5.93039
other
Mg12Al2V2
16
38
328.86
mp-1215270
-6.145689
-3.529742
3.914008
other
Zr4Ti4Au4
12
38
230.71
mp-1021296
-7.380843
-10.171443
6.403766
other
Li2La2Mg12
16
38
404.92
mp-1026415
-7.29543
-11.154149
6.250234
other
Mg14Ti1B1
16
38
334.32
mp-1022924
-7.8063
-9.50623
6.678034
other
La1Y1Mg6
8
38
209.68
mp-1022494
-7.090527
-10.373752
6.481135
other
Sr1Mg6Zr1
8
38
206.24
mp-1026605
-6.879708
-11.15623
5.979745
other
Cs1Mg14Cr1
16
38
393.93
mp-763941
11.099067
0.250409
1.675347
other
Mn6O1F11
18
38
241.84
mp-1021391
-7.111275
-11.028078
4.374774
other
Mg12Sn2Sb2
16
38
378.75
mp-1028043
-7.909577
-10.74473
6.386903
other
Y1Mg14Mo1
16
38
361.66
mp-1022062
-7.345312
-11.019129
4.687832
other
Mg12Co2Sb2
16
38
323.86
mp-1099119
-6.393042
-11.387017
5.949609
other
Cs1Mg6Mn1
8
38
220.29
mp-1066566
-2.599133
0.64265
2.417466
other
Y1Ni1C2
4
38
48.44
mp-1016623
-7.560826
-11.10457
4.969777
other
Mg12Cr2Sb2
16
38
347.98
mp-1224556
-5.786447
-2.79965
-1.6483
other
Hf3Ti1Te20
24
38
837.49
mp-14482
10.881163
11.854342
2.843563
other
Sr1Nb6O16
23
38
310.32
mp-1028004
-6.921669
-11.021485
5.889685
other
Sr1Mg14Zn1
16
38
386.92
mp-1026634
-7.148902
-11.377787
6.129292
other
Cs1Mg14Mo1
16
38
385.97
mp-1022531
-7.495506
-10.394563
5.964635
other
Mg12Zr2Sn2
16
38
360.89
mp-1028316
-7.026845
-11.213481
6.041477
other
Rb1Mg14V1
16
38
390.26