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-1039957
17.001648
9.94887
6.250764
other
Li1Hf1Mg30O31
63
25
627.8
mp-1232038
-4.27034
-3.101631
-4.473424
other
Cu1Bi1Se1O1
4
25
93.01
mp-1233516
11.04921
9.13869
3.193381
other
Ca1Er4Zr4O14
23
25
301.19
mp-1222974
-7.262504
-4.479253
5.588548
other
La1Al4Cu2Si1
8
25
142.69
mp-2226689
11.401161
11.184571
-0.146349
other
Mg1Fe2Cl2O2
7
25
133.46
mp-2240894
10.434711
12.312325
-3.812301
other
Mg1V3Cr1O10
15
25
231.97
mp-1035479
17.191032
9.465528
7.885509
other
Rb1Li1Mg14O15
31
25
359.79
mp-1098548
17.052536
9.875304
6.518804
other
Cs1Hf1Mg30O31
63
25
663.62
mp-1039828
17.511414
9.722772
7.562239
other
Cs1Rb1Mg30O31
63
25
681.35
mp-1034041
17.476946
9.623082
7.746412
other
K1Li1Mg14O15
31
25
323.25
mp-1235373
9.711996
8.300231
-0.494812
other
Li1Bi2I2O2
7
25
193.87
mp-1018719
11.37747
10.281052
3.912603
other
Hf1Ta1N1O3
6
25
66.96
mp-1034637
17.433773
9.648327
7.638127
other
Cs1Na1Mg14O15
31
25
335.91
mp-2227545
10.503344
12.501192
1.89752
other
Mg1Ti3Cu1O8
13
25
147.83
mp-1098484
17.332151
9.739071
7.040394
other
Na1Mg30B1O31
63
25
624.58
mp-1046346
6.710968
10.761558
-0.663095
other
Ba2Tl1Co2O7
12
25
188.14
mp-1098505
17.609266
9.785353
7.551592
other
Cs1Li1Mg30O31
63
25
651.88
mp-1033983
16.26087
9.827365
5.40801
other
Rb1Hf1Mg14O15
31
25
343.05
mp-1040315
17.286665
9.730434
7.001473
other
K1Mg30B1O31
63
25
637.35
mp-1233281
11.288408
9.120906
3.000792
other
Ca1Er4Zr4O14
23
25
314.57
mp-2231006
11.934869
10.545538
2.419191
other
Ba2Mg1Nb4O12
19
25
286.85
mp-1034797
17.125675
9.466352
7.886247
other
Rb1Na1Mg14O15
31
25
367.36
mp-1035353
17.181057
9.666271
6.884531
other
Li1Mg14B1O15
31
25
305.31
mp-1216511
-6.106251
-1.043877
3.707503
other
V18Ga2Si2Ge2
24
25
322.5
mp-1040080
17.322485
9.789146
6.915605
other
Li1Mg30B1O31
63
25
615.26
mp-1039998
17.272039
9.715852
7.021369
other
Rb1Mg30B1O31
63
25
646.96
mp-1033909
15.828234
9.756937
4.993699
other
Hf1Mg14B1O15
31
25
327.58
mp-1034638
16.83729
9.670745
6.306633
other
Na1Mg14B1O15
31
25
310.98
mp-1034901
17.405872
9.647285
7.584398
other
Cs1Na1Mg14O15
31
25
335.87
mp-1021507
7.926561
9.465953
1.546971
other
Ba2Y1Cu3O6
12
25
179.99
mp-1218825
8.689159
3.52377
-7.011231
other
Sr2Cu1C1O5
9
25
122.25
mp-1098090
17.081762
9.565484
7.452691
other
Cs1Rb1Mg14O15
31
25
364.19
mp-1227909
7.555733
6.6824
-4.451009
other
Ca1U2P2O18
23
25
400.7
mp-1035393
17.48584
9.657994
7.828575
other
Na1Li1Mg14O15
31
25
315.04
mp-2226449
12.459555
9.789017
1.732857
other
K1Mg1Nb1O3
6
25
83.53
mp-1033980
17.35092
9.598175
7.784489
other
K1Na1Mg14O15
31
25
334.69
mp-1033729
16.803988
9.727409
6.467113
other
Hf1Mg14B1O15
31
25
326.09
mp-1218508
5.971924
10.812672
0.100186
other
Sr3Tl1Fe2O8
14
25
191.99
mp-1217937
10.844445
9.97364
0.797128
other
Ti6Fe1Bi9O27
43
25
688.8
mp-1034945
17.09955
9.663939
7.159325
other
Rb1Hf1Mg14O15
31
25
407.1
mp-1247641
7.494807
11.987552
1.874164
other
Ca8Ti3Mn5O23
39
25
458.27
mp-1040164
17.090635
9.897242
6.526088
other
K1Hf1Mg30O31
63
25
643.84
mp-1035690
17.21628
9.503405
7.805692
other
Rb1Li1Mg14O15
31
25
347.04
mp-1224660
10.689609
10.939788
2.34476
other
Hf1Ti4Pb5O15
25
25
339.09
mp-1040391
17.586525
9.75009
7.572844
other
K1Rb1Mg30O31
63
25
655.38
mp-1216039
10.710873
10.724314
2.410556
other
Zr2Ti3Pb5O15
25
25
358.64
mp-1227911
7.121838
10.0288
1.076442
other
Ba3Pr3Cu6O15
27
25
362.49
mp-1235473
7.756527
9.484406
-1.047757
other
Rb1Li1Ag1O2
5
25
108.98
mp-2239892
11.852967
10.803373
-1.583488
other
Mg1W2O4F4
11
25
201.32
mp-1247627
6.731784
12.215533
1.29338
other
Sr2Ca6Mn8O23
39
25
451.01
mp-1034618
16.728292
9.675487
6.116345
other
Na1Mg14B1O15
31
25
314.08
mp-2227998
9.463929
10.746277
-0.39543
other
Mg1Cu1Pt1O2
5
25
61.74
mp-1034045
16.577559
9.82346
5.943922
other
Rb1Hf1Mg14O15
31
25
345.85
mp-1040348
17.653215
9.767968
7.689158
other
K1Li1Mg30O31
63
25
636.68
mp-1034563
17.45433
9.652066
7.725403
other
Rb1Na1Mg14O15
31
25
330.93
mp-1098613
17.213957
9.765368
6.848463
other
Cs1Mg30B1O31
63
25
648.65
mp-1039725
17.250542
9.764903
6.889523
other
Rb1Mg30B1O31
63
25
639.51
mp-2223701
2.461842
2.168372
-3.985096
other
Mg1W2Cl4O4
11
25
236.06
mp-1034839
17.168602
9.510462
7.797853
other
Rb1Na1Mg14O15
31
25
365.97
mp-2227990
9.68752
9.523713
1.31858
other
Ba1Mg1Ag1O2
5
25
101.33
mp-1235758
10.731253
9.205564
3.518352
other
Li1Er4Zr4O14
23
25
292.47
mp-1040170
17.653038
9.789567
7.610081
other
Rb1Li1Mg30O31
63
25
633.35
mp-1040085
17.660934
9.795678
7.6781
other
Na1Li1Mg30O31
63
25
624.31
mp-561781
6.291111
11.184476
0.744855
other
Ba2Nd2Co4O11
19
25
242.31
mp-1039809
17.62464
9.764832
7.680569
other
Rb1Na1Mg30O31
63
25
648.71
mp-2222891
2.24957
2.017696
-3.83593
other
Mg1W2Br4O4
11
25
253.73
mp-1034380
16.249392
9.845428
5.358766
other
Na1Hf1Mg14O15
31
25
325.46
mp-1039846
17.63905
9.787802
7.613145
other
Rb1Na1Mg30O31
63
25
639.33
mp-755254
9.808257
12.24735
-0.791057
original
Li1Fe2Cl2O2
7
25
116.02
mp-1040362
17.601995
9.760815
7.571487
other
K1Rb1Mg30O31
63
25
650.83
mp-1039713
17.099884
9.91171
6.508185
other
Na1Hf1Mg30O31
63
25
631.76
mp-1034098
17.242693
9.554386
7.707474
other
K1Rb1Mg14O15
31
25
352.16
mp-1098062
16.927362
9.703915
6.717666
other
Cs1Hf1Mg14O15
31
25
400.89
mp-1035758
16.843431
9.61107
6.444385
other
K1Mg14B1O15
31
25
328.97
mp-1200345
11.407716
6.730297
-1.498451
other
Na4Ce2Si12O33
51
25
818.89
mp-2227175
10.627758
11.590152
-0.806968
other
Mg1Fe2Cl2O2
7
25
161.5
mp-1225830
11.41071
7.610655
-1.561668
other
Cu4Si1Ge3O12
20
25
249.43
mp-1098533
17.143055
9.727277
6.786475
other
Cs1Mg30B1O31
63
25
651.26
mp-2217873
12.886949
8.349912
-0.960663
other
Mg1Cu2Ge2O6
11
25
147.87
mp-2218067
12.919341
8.410527
-0.930481
other
Mg1Cu2Ge2O6
11
25
144.33
mp-1035354
16.828733
9.694338
6.20033
other
Li1Mg14B1O15
31
25
303.95
mp-1035403
17.479511
9.65906
7.805788
other
Na1Li1Mg14O15
31
25
314.98
mp-1247662
7.216032
12.061799
1.732183
other
Ca8Ti2Mn6O23
39
25
451.51
mp-1247688
7.553009
12.086884
1.815575
other
Ca8Ti2Mn6O22
38
25
458.63
mp-2240835
10.087013
9.539366
1.358731
other
Sr1Mg1Cu1O2
5
25
79.56
mp-1217688
-4.955439
-4.297895
5.89944
other
Tb2Zn1Cu1Si2
6
25
116.82
mp-1040232
17.637449
9.765364
7.677489
other
Rb1Li1Mg30O31
63
25
644.74
mp-1034015
17.439844
9.628557
7.779126
other
K1Na1Mg14O15
31
25
329.19
mp-1234243
11.204419
9.123281
3.139692
other
Er4Mg1Zr4O14
23
25
304.57
mp-1099231
17.108274
9.498014
7.702719
other
Cs1Rb1Mg14O15
31
25
381.91
mp-1233982
11.44298
9.665556
3.342579
other
Ce1Mg1Zr7O16
25
25
314.02
mp-1040044
17.09919
9.917953
6.471849
other
Li1Hf1Mg30O31
63
25
625.97
mp-1223928
-4.970567
-4.306726
5.904481
other
Ho2Zn1Cu1Si2
6
25
113.9
mp-1226681
-7.488937
-4.637765
5.383165
other
Ce1Al4Cu2Si1
8
25
139.84
mp-2225007
10.325186
2.574884
2.038208
other
Mg1Fe2O2F2
7
25
82.14
mp-1034225
16.236025
9.843877
5.346341
other
Na1Hf1Mg14O15
31
25
323.46
mp-1222622
-7.188785
-5.970525
3.876289
other
Li3Tb4Zn1Sn8
16
25
385.51
mp-1040161
17.649942
9.78306
7.643395
other
Rb1Li1Mg30O31
63
25
640.6
mp-1040127
17.647547
9.784024
7.693653
other
Na1Li1Mg30O31
63
25
624.45
mp-1034206
17.121548
9.698307
7.018139
other
Rb1Hf1Mg14O15
31
25
377.03