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-1217458
-5.688574
-3.518525
-1.199694
other
Tb1U1Te6
8
38
249.48
mp-1099277
-7.518409
-11.097829
5.617334
other
Li1Mg6Fe1
8
38
159.59
mp-1021210
-8.32268
-10.681634
6.482386
other
Ce2Mg12W2
16
38
356.5
mp-1099295
-6.498326
-11.194967
5.465712
other
K1Mg6Sn1
8
38
212.25
mp-1215785
-7.796425
-3.899771
5.232016
other
Yb4Al4Co4
12
38
208.38
mp-1023157
-7.958397
-11.018765
5.674089
other
Mg12Mn2Fe2
16
38
307.86
mp-1220688
-4.877893
0.139674
3.235382
other
Nb3Re3B4
10
38
122.57
mp-1021702
-7.50996
-10.619187
5.9684
other
Mg12Ti2Sn2
16
38
348.08
mp-1028378
-7.254358
-11.090217
5.550597
other
Mg14Si1Ni1
16
38
335.06
mp-1022326
-7.735576
-9.505154
6.695334
other
Hf2Mg12Zr2
16
38
362.14
mp-1026717
-6.908344
-11.116394
5.966836
other
Sr1Mg14Si1
16
38
380.82
mp-1026466
-7.729177
-11.111547
5.428088
other
Mg14Sb1Mo1
16
38
350.13
mp-1021341
-7.703026
-10.665365
5.820545
other
Mg12Ti2Sb2
16
38
347.17
mp-1078008
-9.232927
-1.092772
3.030387
other
Ca1Ni5H1
7
38
84.08
mp-1028358
-7.942794
-11.081142
5.812117
other
Mg14Ni1Mo1
16
38
328.77
mp-1016273
-6.243274
-11.329015
5.844655
other
Cs2Mg12Cd2
16
38
461.73
mp-759756
10.625768
0.730659
-1.006174
other
Co10O5F15
30
38
348.15
mp-1017323
-6.006814
-11.3939
5.933523
other
Cs2Rb2Mg12
16
38
555.9
mp-1022123
-7.062151
-11.287234
5.530448
other
Mg6Cu1Si1
8
38
155.35
mp-1217534
-5.168501
-4.439127
5.912605
other
Tb6Sc6Si6
18
38
410.53
mp-1026460
-7.79952
-10.546403
6.336911
other
Mg14Ti1Cr1
16
38
348
mp-1215320
-7.15854
-1.178314
4.528645
other
Zr4Cr4Co4
12
38
172.49
mp-1018064
-2.954356
0.476008
2.64566
other
Er1Fe1C2
4
38
47.48
mp-1248475
-6.351476
-11.206664
5.81269
other
Cs1Mg6Al1
8
38
277.04
mp-1028127
-7.221855
-11.365716
5.772161
other
Mg14Mn1B1
16
38
334.58
mp-1022052
-7.879973
-10.27311
6.495066
other
Hf2Mg12Co2
16
38
325.66
mp-1018048
-2.450271
0.682366
2.22404
other
La1Ni1C2
4
38
55.51
mp-1026575
-7.168501
-10.894026
5.035869
other
Mg14Cd1Sn1
16
38
365.76
mp-1021653
-7.672898
-11.232553
5.175921
other
Mg12V2Sb2
16
38
346.74
mp-1026855
-6.528731
-11.078537
5.956216
other
K1Ba1Mg14
16
38
427.3
mp-1023211
-7.214739
-10.026336
6.40236
other
Ca2La2Mg12
16
38
445.35
mp-1100154
-6.50507
-11.310568
5.824903
other
Rb1Mg6Ga1
8
38
211.71
mp-1028019
-7.134895
-11.411503
5.617063
other
Mg14Zn1C1
16
38
340.55
mp-1216603
-5.140308
-3.584944
5.934311
other
Tm2Fe1Si4
7
38
119.9
mp-1028242
-7.633647
-10.491817
6.300923
other
Y1Mg14Fe1
16
38
354.65
mp-1021417
-6.527553
-11.149776
5.53687
other
Ba2Mg12Sn2
16
38
442.38
mp-1016560
-6.82466
-11.099536
6.015545
other
Ba2Mg12Cr2
16
38
420.6
mp-1022971
-8.06807
-10.918538
5.891444
other
Mg12Mn2Cr2
16
38
326.36
mp-1022476
-7.911803
-10.971107
5.560717
other
Mg12Fe2Co2
16
38
284.05
mp-1027972
-7.057043
-11.018619
5.559124
other
Na1Mg14Zn1
16
38
366.07
mp-1021389
-6.386603
-11.218322
5.905446
other
K1Mg6Si1
8
38
214.03
mp-1399321
-0.573811
1.348781
-4.709774
other
Cs1Ag1Br3
5
38
165.99
mp-1026480
-8.450953
-11.179355
6.14237
other
Mg14Mo1W1
16
38
329.46
mp-1023277
-7.660096
-10.118059
6.50657
other
Hf2Mg12Al2
16
38
344.89
mp-1022041
-8.298849
-11.18003
5.938997
other
Mg12Co2Mo2
16
38
298.14
mp-1027162
-7.140595
-10.896277
6.321732
other
Ce1Mg14B1
16
38
367.51
mp-1028095
-8.110017
-10.798833
6.424801
other
Y1Mg14W1
16
38
358.61
mp-1022987
-7.747449
-10.117752
6.582206
other
La2Mg12Mn2
16
38
390.64
mp-1222246
-9.197611
-4.614554
3.894853
other
Mg4Cu6Ge2
12
38
182.42
mp-1022592
-7.247801
-11.375026
4.393473
other
Mg12Zn2Bi2
16
38
366.85
mp-1220000
-7.439417
-5.573011
3.690606
original
Pr2Cu1Sn4
7
38
182.51
mp-1028387
-7.36371
-11.280537
5.615844
other
Mg14Fe1C1
16
38
331.82
mp-1026777
-8.094522
-10.700843
6.383307
other
La1Mg14W1
16
38
364.18
mp-1022588
-7.241845
-11.378455
4.397644
other
Mg12Zn2Bi2
16
38
368.29
mp-1017197
-6.679994
-11.16199
5.828485
other
Rb2Mg12Cr2
16
38
430.4
mp-1017478
-7.537798
-10.005004
6.347601
other
La2Mg12Cd2
16
38
406.8
mp-1028372
-7.345287
-11.009998
5.031809
other
Mg14Co1Sb1
16
38
344.01
mp-1027922
-7.301928
-10.939181
5.245932
other
Mg14Zn1Cd1
16
38
354.69
mp-1026380
-6.704432
-11.022274
5.771672
other
K1Na1Mg14
16
38
401.79
mp-1021321
-7.681628
-10.7041
5.813664
other
Mg12Ti2Sb2
16
38
349.01
mp-1021312
-7.798514
-10.359616
6.450475
other
Mg12Ti2Ga2
16
38
328.49
mp-1022036
-7.126548
-11.108503
5.57947
other
Mg12Si2Ni2
16
38
299.55
mp-1028357
-7.316912
-11.049752
5.008584
other
Mg14Ni1Sb1
16
38
348.87
mp-1215355
-7.008379
-1.306114
4.381028
other
Zr4Cr4Ni4
12
38
176.65
mp-1016266
-7.559999
-11.259878
6.207996
other
Sr2Mg12Mo2
16
38
384.63
mp-1205968
-6.944826
-4.619851
4.962093
other
Tb2Ge6Au1
9
38
190.15
mp-1022805
-7.005744
-10.382174
6.353346
other
Sr2Y2Mg12
16
38
436.06
mp-1217711
-7.017421
-4.206524
5.460766
other
Tb2Cr1Ge4
7
38
144.91
mp-1022353
-7.488136
-11.100424
5.617531
other
Li2Mg12Fe2
16
38
325.02
mp-2228723
6.114619
9.042368
-1.48558
other
Mg1Bi4O10
15
38
253.17
mp-1026891
-6.88063
-11.066016
5.769566
other
Sr1Mg14Cu1
16
38
377.32
mp-1022685
-8.23801
-10.60846
6.485875
other
Y2Mg12Mo2
16
38
357.14
mp-1027943
-7.02283
-10.736162
6.187731
other
K1Mg14Zr1
16
38
390.66
mp-1022085
-6.909461
-11.52686
5.668827
other
Mg12Cu2B2
16
38
292.46
mp-1226108
-6.226925
-0.795762
3.459673
other
Co4Si4Mo4
12
38
148.5
mp-1224544
-6.598144
-3.567471
4.759108
other
Hf5Sc5Ge6
16
38
310.87
mp-780324
6.142065
13.116904
-2.823033
other
Co10O15F5
30
38
282.29
mp-1224044
-3.960295
-0.212489
-3.805454
other
K4Nb6S12
22
38
481.36
mp-1026680
-7.247752
-10.931699
5.754472
other
Na1Mg14Cr1
16
38
362.49
mp-1220233
-6.149228
-0.75301
3.198153
other
Ni4Ge4Mo4
12
38
163.66
mp-780870
5.152575
11.377142
-2.292913
other
Fe8O14F2
24
38
258.19
mp-1217995
-5.530156
-2.606146
4.152328
other
Ta4Al4Zn4
12
38
179.43
mp-1022078
-7.871541
-10.346604
6.484988
other
Mg12Nb2Cu2
16
38
316.41
mp-1023402
-7.642802
-10.053934
6.357638
other
Mg12Zr2Al2
16
38
348.36
mp-1022108
-7.726041
-9.887466
6.436383
other
Ce2Mg12Co2
16
38
355.39
mp-1022649
-7.811601
-10.251762
6.576559
other
Y2Mg12Cr2
16
38
373.22
mp-1224888
-5.985801
-5.65287
0.76231
other
Ga4Bi3N1
8
38
217.75
mp-1079671
-6.933684
-4.290193
5.075617
other
Tb2Cu1Ge6
9
38
177.35
mp-1028235
-7.234862
-10.866217
5.309996
other
Mg14Al1Cd1
16
38
357.94
mp-1023362
-6.459787
-11.070179
5.81056
other
Ba1Mg6Al1
8
38
220.63
mp-4587
-2.544911
0.678429
2.392223
other
Dy1Ni1C2
4
38
48.07
mp-1216897
-6.623191
-1.061581
3.810243
other
V4Fe2Sn2
8
38
119.99
mp-1028342
-7.436626
-10.873473
5.45951
other
Mg14Al1Co1
16
38
332.87
mp-1026683
-7.161073
-11.086061
5.543302
other
Mg14Ga1Si1
16
38
347.28
mp-1017320
-7.430039
-10.507509
6.547319
other
Hf2Mg12Si2
16
38
332.33
mp-1022246
-8.01368
-11.000269
5.826584
other
Mg12V2Fe2
16
38
313.18
mp-1028295
-7.094427
-11.054662
5.322025
other
Mg14Si1Sn1
16
38
357.22
mp-1022581
-7.782356
-9.48957
6.587575
other
Ce2Mg12Zr2
16
38
383.36
mp-1028070
-8.221997
-11.041922
6.009058
other
Mg14Mn1W1
16
38
335.74
mp-1027824
-7.621486
-11.02891
5.719512
other
Mg14V1Cu1
16
38
339.56