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-775961
9.203783
12.422308
-1.808392
other
Li8Mn2Sn2W4O24
40
1
417.98
mp-1247633
6.974748
12.225164
1.329601
other
Sr1Ca7Mn6Cr2O23
39
1
450.65
mp-766000
12.79641
8.58245
-7.782842
other
Li2V2Cr2P8O28
42
1
526.25
mp-2240200
9.392629
2.279723
1.613258
other
Na3Mg1Mo1O3F3
11
1
161.81
mp-695305
8.177989
3.545428
-3.808807
other
Na8C8S8O24F24
72
1
1,094.34
mp-1100085
6.663936
10.254407
0.027332
other
Ba24Sr8Co8Cu24O80
144
1
2,105.11
mp-1234732
8.649262
7.171809
-3.451927
other
Mg1Au4Se4Cl4O12
25
1
564.42
mp-1176405
9.230154
4.761832
-8.30913
other
Na8Fe4P4C4O28
48
1
610.27
mp-2714362
11.913282
4.097298
-8.191438
other
Na6Al12Si3S15O72
108
1
1,318.69
mp-686742
9.122231
3.284369
-4.338355
other
Ag2H21N7Cl2O8
40
1
575.23
mp-1234721
13.643228
8.615635
-0.889869
other
Mg1V2Zn2Si2O10
17
1
195.57
mp-2231039
11.742903
6.57514
-4.621679
other
Mg1V2Fe2H4O10
19
1
203.02
mp-2713542
13.127736
5.262037
-7.701702
other
Na12Zn3Ge9P18O72
114
1
1,387.52
mp-1234177
11.688808
11.106666
-1.355096
other
Rb2Ca1Nd2W4O16
25
1
392.03
mp-1247655
7.507566
12.073089
1.829465
other
Sr1Ca7Ti2Mn6O22
38
1
459.18
mp-1235020
11.123535
9.57355
2.852648
other
Sr4Li1Sm2Ta2O12
21
1
306.35
mp-694929
11.361002
10.075824
3.969157
other
Sr2La2Ta4N6O6
20
1
270.1
mp-2714812
13.859776
4.955965
-7.557148
other
Na9Ca5Nb7P18O72
111
1
1,616.85
mp-1076198
6.646667
11.679988
0.559704
other
Sr8Ca24Fe12Co20O80
144
1
1,840.82
mp-1177512
14.583983
7.986552
-6.689734
other
Li6V2Fe2P8O28
46
1
560.4
mp-1233427
12.446362
11.473339
2.295938
other
Sr2Ca1Ti6N2O11
22
1
276.79
mp-1181360
7.169149
7.699563
-3.893592
other
Na1Al3Fe6S2O38
50
1
789.98
mp-766612
10.005952
4.171293
-7.505265
other
Li12V4P4C4O28
52
1
560.62
mp-2715318
14.021907
4.843638
-7.308229
other
Na18Sc6Ga6P18O72
120
1
1,517.59
mp-764250
9.036899
13.285788
-0.679968
other
Li4Nb3Fe2Ni3O16
28
1
310.09
mp-677638
13.571906
5.424599
-6.839757
other
Na27Ca3Al5P24O84
143
1
1,789.46
mp-1233298
11.179597
9.064283
2.126936
other
Tb4Mg1Al2Fe2O12
21
1
258.73
mp-699405
12.710003
6.592635
-0.431201
other
Ca6Mg5Al2Si11O36
60
1
675.75
mp-1228666
12.887362
7.587819
-1.357738
other
Ba4Fe12Si8Cl1O35
60
1
782.54
mp-2232217
10.506536
4.677049
-6.835691
other
Mg1Fe2S2O8F2
15
1
196.17
mp-1225084
13.501733
5.853069
-6.690392
other
K8Sc8Mo4P8O48
76
1
1,171.65
mp-861531
10.276261
2.562228
-1.079865
other
Li4V2H4O2F10
22
1
243.48
mp-1235621
9.833879
10.179138
2.062103
other
Li1La4Ga2Fe2O12
21
1
262.57
mp-1235786
1.517084
2.649532
-5.872216
other
Rb2Li1Pu1Cl4O2
10
1
282.36
mp-2714818
13.105541
5.352728
-7.732157
other
Na9Ga3Ge9P18O72
111
1
1,345.13
mp-1176888
13.96041
8.132133
-7.282566
other
Li6V1Cr3P6O24
40
1
463.89
mp-2714269
13.725951
4.413196
-7.706297
other
Na15Si9Sn12P9O72
117
1
1,572.29
mp-778297
15.340037
5.599633
-2.298782
other
Li8Mn7Fe1B8O24
48
1
503.84
mp-771110
14.575409
8.007307
-6.600148
other
Li4Mn5P6W1O24
40
1
498.7
mp-2715515
14.001586
4.826011
-7.247585
other
Na12Sc4In4P12O48
80
1
1,065.19
mp-757599
11.106602
8.015932
-7.697242
other
Li6Mn3Cu1P6O24
40
1
463
mp-1266607
12.404711
6.64079
-0.806457
other
Y10Be12Fe6Si12O60
100
1
1,091.89
mp-1223582
10.441478
4.314573
-5.613544
other
K4Fe4H20S8O40
76
1
882.73
mp-1233700
14.359888
8.177849
-3.256942
other
Mg1Ti2Zn2P2O10
17
1
208.83
mp-727412
7.535108
5.021291
-1.799045
other
Ba6Cu2P4Br6O14
32
1
687.37
mp-887457
6.769576
3.975462
-1.58586
other
Li4Mn1V3P8O28
44
1
539.31
mp-1176414
9.015462
3.772418
-7.264894
other
Na16Sn8C16S4O64
108
1
1,501.2
mp-775978
9.070375
3.746153
-7.399215
other
Na16Sb8C16S4O64
108
1
1,522.09
mp-1224578
9.832058
7.39577
-2.621493
other
K2Mg1Fe1Si8O24
36
1
510.89
mp-760787
11.966249
12.816497
-0.028143
other
Li10Mn2V3Cr3O16
34
1
315.57
mp-761969
7.624361
13.409875
-1.219613
other
Li4Fe3Ni3Sb2O16
28
1
294.86
mp-778315
8.539709
14.227501
-0.529468
other
Li10Mn3Co2Ni3O16
34
1
300.38
mp-1233041
10.585409
9.503036
3.056632
other
K2Nd4Mg1Nb2O12
21
1
427.04
mp-697332
9.3837
12.195393
1.283821
other
La7Ti27Al5Cu24O96
159
1
1,663.19
mp-2714301
13.442763
4.924356
-7.114462
other
Na21Zn3In9P18O72
123
1
1,626.5
mp-1228602
10.344755
11.417111
-0.00375
other
Ca3La1Fe2Mo2O12
20
1
301.07
mp-768837
8.489822
5.276883
-7.891826
other
Li6Mn4P4C4O28
46
1
542.44
mp-2713394
15.204597
3.70865
-7.788531
other
Na15Ca1Ta11Si18O72
117
1
1,603.56
mp-2716418
13.746759
5.118895
-7.622302
other
Na18Nb9Ga15P36O144
222
1
2,929.96
mp-2714267
13.729771
4.842749
-7.150706
other
Na42Zr9Zn15P36O144
246
1
3,196.33
mp-2714663
13.798717
5.486121
-7.527155
other
Na9Ti9Ga3P18O72
111
1
1,422.87
mp-1235050
8.43277
7.132592
-3.473942
other
Li1Au4Se4Cl4O12
25
1
492.55
mp-1172964
12.83491
7.312182
-7.42803
other
Li4Ni2P2O8F2
18
1
186.57
mp-766694
9.298932
3.944047
-8.52716
other
Li12Ni4P4C4O28
52
1
526.76
mp-1210399
14.472546
4.368689
-6.772034
other
Na4Ti4Si4H4O18
34
1
452.35
mp-1234830
10.254712
4.534818
-5.900799
other
Mg1Zr2H10S6O28
47
1
638.2
mp-706815
12.941284
6.256833
-0.304842
other
K1Ba7Al15Si17O64
104
1
1,533.01
mp-1076540
12.588409
10.917343
-1.010031
other
K12Na20V4Mo28O80
144
1
2,026.54
mp-2231116
7.141541
11.457804
-2.133349
other
La2Mg1Cr2Co2O12
19
1
245.37
mp-2242239
13.221279
7.786632
-1.176181
other
Mg1Fe2Si2Sb1O9
15
1
200.26
mp-1222589
10.165954
3.030533
-3.871881
other
Li1Mg1H14Cl3O7
26
1
307.44
mp-2712838
11.630187
4.289478
-8.158792
other
Mg3Si3Ge9S15O72
102
1
1,366
mp-25393
14.874714
7.85261
-5.609066
other
Li8Fe4P4O16F4
36
1
390.18
mp-1234737
14.400136
8.225781
-4.791703
other
Ba2Mg1Mo4P8O28
43
1
630.32
mp-1233179
11.929383
11.151316
-1.618025
other
Ho2Mg1Ag2W4O16
25
1
335.16
mp-677246
14.561548
4.766102
-6.307262
other
Ba6Ti2Nb10Si8O51
77
1
1,142.49
mp-777765
15.505534
5.815946
-2.217676
other
Li8Mn5Fe3B8O24
48
1
496.19
mp-775133
12.04492
12.177134
0.089319
other
Li4Ti3Fe3W2O16
28
1
310.51
mp-555398
12.921482
7.286864
-6.58575
other
K8Mg4P8W4O40
64
1
942.12
mp-756092
13.33197
6.790473
-6.830922
other
Li4Cr2P4H3O16
29
1
309.25
mp-849272
11.231329
7.248129
-7.046881
other
Li4Ni2P4H3O16
29
1
301.2
mp-1176803
14.515206
5.827363
-6.978755
other
Li8Zr7Fe1P12O48
76
1
1,018.92
mp-2218710
14.437586
7.723261
-4.359351
other
Cs1Mg1Nb1P2O8
13
1
243.18
mp-2715303
15.149676
3.71666
-7.644726
other
Na18La3Ta9Si18O72
120
1
1,665.96
mp-1046139
11.973309
10.08884
2.045882
other
Ba2Mg2Ti3Tl2O10
19
1
292.22
mp-1177585
13.426077
8.412833
-7.96442
other
Li12Mn4V4P12O48
80
1
936.35
mp-807825
7.049865
4.323975
-1.572542
other
Li2V4P8H4O32
50
1
551.46
mp-1177564
13.266808
8.404594
-8.096642
other
Li12Mn4V4P12O48
80
1
907.45
mp-2230757
11.532135
12.45558
-3.376118
other
Mg1Mn1V4Co1O12
19
1
257.23
mp-2714647
14.00579
5.116231
-7.594835
other
Na9Mg5Ta7P18O72
111
1
1,506.15
mp-1100918
11.811914
6.988813
0.537132
other
Y6Al3Si3N3O15
30
1
473.53
mp-778495
15.336813
5.598509
-2.298071
other
Li8Mn7Fe1B8O24
48
1
505.22
mp-698687
10.463443
4.245373
-5.304592
other
K4Mn2H16S4O23
49
1
618.55
mp-653154
7.350118
9.737224
0.57509
other
Ba2Ca2Tl2Cu3O10
19
1
281.18
mp-2713208
13.344503
3.608033
-8.932527
other
Hf6Zr6Si6S12O72
102
1
1,629.71
mp-1235803
-4.729885
-6.205544
1.036434
other
Rb2Ba8Li1Sb6O2
19
1
709.47
mp-677528
14.924868
4.081605
-7.709143
other
Na11Zr8Si7P5O48
79
1
1,116.69
mp-1233296
14.394443
7.273633
-5.070036
other
Ba2Mg1Mn2P4O14
23
1
355.28
mp-2714075
11.82131
4.075322
-8.019974
other
Na3In12P3S15O72
105
1
1,592.82
mp-2217283
11.263227
10.55687
0.995764
other
Ba2Mg1Fe1Mo1O6
11
1
162.19