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-1521783
7.86883
6.74043
-3.170235
other
Ba1Cu1Se4O12
18
123
225.19
mp-1070912
12.699391
10.550059
-0.398715
other
Cs1V2S2O1
6
123
127.72
mp-1215887
-5.101986
-3.915913
5.394619
other
Y1U1Cu4Si4
10
123
157.44
mp-1521267
6.032652
8.936852
-1.626225
other
K1Na1Bi2O6
10
123
154.43
mp-1147536
7.919004
9.48317
1.103859
other
Ca2Cu1S2O2
7
123
115.55
mp-775022
10.654359
2.440562
1.804277
other
Li2Fe2O2F2
8
123
80.74
mp-1032002
15.865674
9.732227
4.95641
other
Mg6Zn1Si1O8
16
123
161.79
mp-1037563
17.387745
9.925277
6.787606
other
Mg30V1Zn1O32
64
123
619.43
mp-1038427
17.494032
9.835025
7.15927
other
Mg30Ga1B1O32
64
123
622.23
mp-1031860
15.054367
9.723584
4.231734
other
Ca1Mg6Nb1O8
16
123
170.28
mp-1033703
17.535326
9.852359
7.599781
other
Li1Y1Mg6O8
16
123
166.3
mp-1031420
15.782508
9.803541
4.896384
other
Mg6Ti1Cd1O8
16
123
168.41
mp-1035080
16.898516
9.84997
6.160904
other
Mg14Co1Sn1O16
32
123
324.53
mp-1036521
15.524201
9.739068
4.669797
other
Mg14Nb1Al1O16
32
123
316.66
mp-1033681
17.035549
9.696318
6.752153
other
Mg14Bi1C1O16
32
123
332.88
mp-1035604
17.429365
9.627118
7.483778
other
Cs1Mg14Fe1O16
32
123
342.58
mp-1032059
16.383215
9.505917
5.304722
other
Mg6Co1B1O8
16
123
155.85
mp-20926
7.029449
11.001452
1.26495
other
Ba1Nd1Co2O5
9
123
121.94
mp-1038690
17.391064
9.855335
7.017522
other
Ba1Mg30Cr1O32
64
123
651.82
mp-1042580
10.649865
9.22783
0.647202
other
Ba2Al1Sb3O8
14
123
215.6
mp-1038040
17.498323
9.834647
7.206017
other
Sr1Mg30Mn1O32
64
123
639.31
mp-1206310
-5.394292
-1.414652
4.764028
other
Nd1Cr2Si2C1
6
123
85.25
mp-1031915
16.261616
9.823839
5.535206
other
Y1Mg6Cd1O8
16
123
184.75
mp-1218833
5.345976
11.218338
-0.662569
other
Sr2Fe1Co1O6
10
123
115.38
mp-1037467
17.302591
9.908604
6.698967
other
Mg30Ti1Ni1O32
64
123
620.84
mp-1018666
-5.812945
-1.430144
4.0049
other
Ce1Si2Mo2C1
6
123
95.4
mp-1523145
7.700872
9.238791
-1.133538
other
Ba1Ca1Ti4O12
18
123
240.94
mp-1032583
16.219002
9.805254
5.599752
other
Sr1Y1Mg6O8
16
123
195.46
mp-1036224
16.561136
9.825284
5.779032
other
Mg14Mn1Sn1O16
32
123
331.89
mp-6680
10.715832
11.143746
3.283169
other
Rb1Ca2Ta3O10
16
123
237.88
mp-1247651
6.898774
12.014906
1.53435
other
Ca4Ti1Mn3O12
20
123
223.67
mp-1213879
-4.041722
-5.702049
1.927323
other
Ce2Zn1P2O1
6
123
143.86
mp-1035776
17.45495
9.560949
7.752213
other
K1Mg14Fe1O16
32
123
327.16
mp-1519959
7.738665
8.454611
-2.99384
other
Sr1Co1Ge4O12
18
123
211
mp-1521692
7.835958
6.48473
-3.158189
other
Ba1Zn1Se4O12
18
123
218.24
mp-1247664
6.55888
12.154518
1.178406
other
Sr3Ca5Mn8O24
40
123
450.75
mp-1034024
16.727058
9.835857
5.973495
other
Mg14Ti1B1O16
32
123
312.03
mp-1037733
17.341389
9.954944
6.787108
other
Y1Mg30Zn1O32
64
123
640.08
mp-1033911
17.052891
9.759502
6.603702
other
K1Mg14Si1O16
32
123
325.79
mp-2240590
10.099694
10.984558
0.861142
other
Mg1Mn1Pb1O3
6
123
101.22
mp-1033410
16.259247
9.770591
5.68652
other
Sr1Mg6Bi1O8
16
123
203.1
mp-1213453
-3.355423
-6.941633
1.516977
other
La2Ni1As2O1
6
123
166.12
mp-1032277
17.005438
9.475962
7.622692
other
Sr1Mg6Cu1O8
16
123
174.93
mp-1032873
16.971682
9.455984
7.123001
other
Mg6Mn1Cu1O8
16
123
157.56
mp-1189904
-5.54309
-1.043621
-4.097381
other
Ni9Bi1Te1S8
19
123
286.71
mp-1229089
-4.414505
-2.444099
-4.622948
other
Ag1Bi1Se1S1
4
123
95.91
mp-1030730
17.024931
9.49017
7.031311
other
Na1Mg6B1O8
16
123
155.13
mp-1031861
15.464236
9.775508
4.514624
other
Mg6Ti1Mn1O8
16
123
160.42
mp-2225887
11.286767
10.388577
1.384323
other
Sr1Mg1Cr1O3
6
123
100.55
mp-1037801
17.11751
9.931989
6.467428
other
Y1Mg30Fe1O32
64
123
641.04
mp-1036235
17.362141
9.631299
7.331644
other
Mg14Mn1Co1O16
32
123
313.2
mp-1222952
-5.583518
-4.032603
4.983521
other
La1Ce1Si4Pd4
10
123
179.24
mp-1048190
12.320193
10.36322
0.480313
other
Ba2Y1Mo3O8
14
123
208.05
mp-1038125
17.338449
9.937234
6.735833
other
Ca1Mg30V1O32
64
123
630.59
mp-1033551
16.951809
9.547951
7.460876
other
Rb1Mg6Ga1O8
16
123
183.16
mp-1208234
-3.62087
-5.998391
1.480802
other
Th2Ag1P2O1
6
123
166.71
mp-1035958
15.996354
9.831722
5.150388
other
Y1Mg14Ti1O16
32
123
332.65
mp-1522423
6.404502
12.022209
-1.185522
other
Ba1Ca1Mn4O12
18
123
224.1
mp-1040051
17.700642
9.874226
7.498535
other
Li1Mg30Ga1O32
64
123
615.24
mp-1520082
10.215683
12.1789
-3.270814
other
Eu1Dy1V4O12
18
123
216.75
mp-1034998
17.220076
9.475718
7.497929
other
Mg14Co1C1O16
32
123
306.4
mp-1032937
15.513684
9.728495
4.701004
other
Y1Mg6Fe1O8
16
123
173.81
mp-22751
5.96512
11.348269
0.363814
other
Ba1Pr1Co2O6
10
123
120.81
mp-1033371
14.330127
9.550326
3.482932
other
Mg6Nb1Cr1O8
16
123
165.93
mp-1040324
17.580299
9.845621
7.413736
other
K1La1Mg30O32
64
123
656.16
mp-1038124
17.493803
9.855419
7.119729
other
Ca1Mg30Fe1O32
64
123
628.42
mp-1032698
16.488863
9.451441
6.111677
other
Mg6Mn1B1O8
16
123
154.64
mp-1037258
17.372332
9.868886
6.901654
other
Mg30Co1Sn1O32
64
123
635.32
mp-1037391
17.496229
9.848968
7.115126
other
Mg30Cd1Fe1O32
64
123
629.87
mp-1225983
1.51895
2.66675
-5.841168
original
Cs4In1Sb1Cl12
18
123
628.97
mp-1030861
15.804568
9.556542
4.915973
other
Mg6Si1C1O8
16
123
153.57
mp-1031523
16.026751
9.753953
5.261397
other
Mg6Cd1Sn1O8
16
123
183.03
mp-1037665
16.908989
9.950676
6.096167
other
Y1Mg30Si1O32
64
123
645.93
mp-1032918
16.182287
9.815085
5.513223
other
Ca1Y1Mg6O8
16
123
185.36
mp-1228350
9.178872
8.694165
2.945028
other
Ba2Sc1Cu1O4
8
123
140.95
mp-1036983
17.036377
9.923244
6.292794
other
Mg30Nb1Co1O32
64
123
627.67
mp-1037532
16.710123
9.910441
5.823254
other
Mg30Nb1Fe1O32
64
123
629.65
mp-1520689
7.710766
9.217776
-1.004109
other
Ba1Sr1Ti4O12
18
123
244.97
mp-1033200
16.176329
9.704894
5.568637
other
Mg6Bi1B1O8
16
123
177.2
mp-1036735
17.354811
9.928938
6.752229
other
Mg30V1Cd1O32
64
123
629.58
mp-1033246
14.479686
9.623381
3.811921
other
Hf1Mg6Bi1O8
16
123
202.99
mp-1218322
6.53157
12.124893
1.18863
other
Sr2Ca2Mn4O12
20
123
226.01
mp-1033247
15.591914
9.64333
4.69111
other
Mg6B1W1O8
16
123
163.63
mp-1040135
17.513292
9.689508
7.430421
other
Li1Mg30B1O32
64
123
607.98
mp-552857
9.837825
8.207516
0.197438
other
Tb1Bi2I1O4
8
123
152.27
mp-1520734
9.951469
9.595016
3.978091
other
Ba1Eu1Zr2O6
10
123
150.66
mp-1038357
16.715107
9.915427
5.845049
other
Hf1Mg30Bi1O32
64
123
660.79
mp-1037254
17.143648
9.949005
6.480478
other
Y1Mg30Cr1O32
64
123
641.99
mp-1037103
17.262098
9.943983
6.728194
other
Sr1Y1Mg30O32
64
123
655.96
mp-1227303
11.314884
10.151895
3.653491
other
Ba1Ta1N1O2
5
123
70.81
mp-604153
-5.352667
-1.458026
4.870694
other
La1Cr2Si2C1
6
123
89.87
mp-21891
-5.582201
-1.616189
4.231704
original
Pr1Si2Mo2C1
6
123
97.95
mp-1520875
9.806799
12.163339
-3.835347
other
Na1Nd1V4O12
18
123
212.66
mp-1031988
16.732018
9.296755
6.912857
other
Mg6Co1C1O8
16
123
151.67
mp-1032137
16.778618
9.442751
6.218613
other
Mg6Fe1C1O8
16
123
153.59
mp-1147556
7.312428
8.101503
0.538226
other
Sr2Cu1Br2O2
7
123
155.99
mp-1037257
17.414515
9.852726
6.933872
other
Mg30V1Co1O32
64
123
621.7
mp-555635
5.967611
11.424448
0.49697
other
Ba1Nd1Co2O6
10
123
117.92
mp-1036993
17.53297
9.765672
7.300132
other
Mg30Fe1Co1O32
64
123
618.46
mp-1032809
15.720132
9.727066
4.96463
other
Mg6Mn1Bi1O8
16
123
184.81