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-561326
9.753616
6.859328
-3.354275
other
Lu2Se2O6F2
12
2
190.84
mp-1337118
14.458713
8.108725
-3.856462
other
Ti2Zn2P4O14
22
2
264.03
mp-1200362
11.02986
3.962606
-4.285699
other
Na10P6H56O44
116
2
1,115.78
mp-2226835
7.586975
13.69391
-1.54229
other
Mg1Mn1Co4O8
14
2
150.91
mp-1301464
7.803571
17.305349
-0.359279
other
Li8Mn6Co2O16
32
2
300.96
mp-1174876
3.329514
23.501774
-1.439311
other
Li7Mn2Co3O12
24
2
217.63
mp-560590
9.739714
7.517625
-3.631227
other
Nd4Mo2Se4O20
30
2
452.89
mp-1208488
-5.446097
-2.296584
-1.772075
other
Ta4Te16Pt1I8
29
2
1,057.87
mp-585963
-4.284329
-2.609445
-3.265823
other
Rb14Th4P12Se42
72
2
2,393.6
mp-555242
11.235437
11.048531
-3.494044
other
Rb12U4Mo8O42
66
2
1,273.19
mp-1290445
6.237549
12.820836
-1.347873
other
Na2Li1Ni3O6
12
2
117.65
mp-1203849
1.473534
2.385416
-5.129993
other
Ga16Sb14Se16Cl58
104
2
3,225.79
mp-561403
10.852689
12.023539
-3.449123
other
Ba6V8Pb2O28
44
2
747
mp-558910
12.665355
6.584581
-6.337458
other
Li2U3P4O20
29
2
425.13
mp-561205
8.018861
2.753717
-2.400524
other
Ag4C16O4F36
60
2
797.34
mp-1174544
4.074203
22.790562
-1.289078
other
Li8Mn2Co4O14
28
2
249.36
mp-1195784
7.812514
2.770091
-2.503444
other
Co2C16S8F24
50
2
788.06
mp-821758
7.679693
5.129769
-1.802548
other
Li6V4P10O36
56
2
631
mp-1204648
7.778655
8.392244
-3.836776
other
Na6Ge2Mo6O38
52
2
820.8
mp-768749
10.949888
13.413738
-0.022615
other
Li8Al2Cr6O16
32
2
287.49
mp-1977420
6.337327
20.388533
-0.435061
other
Li14Mn8Co2O24
48
2
437.14
mp-26595
14.291877
8.254355
-7.122135
other
Li10V4P10O36
60
2
647.23
mp-801339
8.075864
4.565028
-1.187169
other
Li4V4O2F12
22
2
274.49
mp-1228278
7.421996
9.624431
1.352794
other
Ba6Y3Cu9O20
38
2
539.87
mp-1209597
9.849571
0.142771
0.577109
other
Rb4Li2Mn6F24
36
2
554.35
mp-1221481
11.424237
7.544747
-4.416948
other
Na2Al3As9O28
42
2
542.25
mp-1174238
7.276312
18.619476
-0.353533
other
Li4Mn3Co1O8
16
2
152.67
mp-755123
11.462965
12.857484
0.390555
other
Li10Mn6Nb4O20
40
2
416.54
mp-561098
12.336669
6.824928
-6.132406
other
Li4U4P4O24
36
2
492.47
mp-758650
6.210038
13.476783
-1.458166
other
Li12Mn2Ni14O32
60
2
552
mp-707311
11.849731
4.787055
-5.159809
other
Zn6P6H18O30
60
2
593.93
mp-1273456
10.149992
13.937377
0.258694
other
Li6Ti2Mn8O16
32
2
327.95
mp-762034
10.107948
8.02457
-6.759296
other
Li2Co2P2O9
15
2
223.72
mp-1199465
8.751937
3.997759
-4.400245
other
Ho6H40N8O49
103
2
1,020.2
mp-1210771
9.40344
5.711329
-4.554756
other
Mg1P2H18O18
39
2
387.82
mp-1228874
8.224123
9.128078
1.280134
other
Ba10Nb3Bi7O30
50
2
814.65
mp-505236
14.006958
8.692243
-6.772775
other
V2Hg1P4O14
21
2
274.94
mp-1373293
14.460526
7.392349
-6.07175
other
Mg2Cr2P4O14
22
2
270.78
mp-1201927
8.082431
8.740588
-3.811856
other
Na3Cr1Mo6O32
42
2
731.14
mp-25382
8.545979
8.173851
-4.636229
other
Fe2P2O8F2
14
2
186.4
mp-753501
9.534819
13.160002
-0.285319
other
Li16Mn4O8F12
40
2
368.6
mp-720808
5.558677
3.279964
-4.654259
other
H4Ru12C34O34
84
2
1,323.16
mp-2218172
11.368873
11.253148
-2.577416
other
Mg1Co1W2O8
12
2
156.28
mp-860880
13.659807
7.595284
-1.017522
other
Li4Mn8Si8O26
46
2
530.98
mp-1175432
4.306128
22.215416
-1.299729
other
Li9Mn2Co5O16
32
2
280.38
mp-1213939
11.719737
11.287608
-1.890716
other
Ce2Cu2W4O16
24
2
329.1
mp-1219829
-1.950328
-0.149715
-4.575826
other
Re2S16N2O4
24
2
669.49
mp-753616
11.653101
13.42097
-0.126898
other
Li4V1Cr3O8
16
2
148.83
mp-557638
12.692534
8.702413
-5.864449
other
Na2Mo4P6O26
38
2
529.65
mp-25444
8.727483
8.194063
-5.122027
other
Co2P2O8F2
14
2
181.64
mp-1228563
12.715418
6.438828
-0.461411
other
Al4Si4Pb2O16
26
2
370.15
mp-645953
10.15524
9.652855
-2.072223
other
Fe5Te6Cl2O18
31
2
460.42
mp-1374388
8.357655
5.503131
-1.251276
other
Li8V6Cr2O16
32
2
302.56
mp-560092
12.448073
5.809062
-1.744445
other
Rb2Na10Be16O22
50
2
557.01
mp-752542
8.794436
14.395752
-0.330491
other
Li2Ti2Mn3O10
17
2
187.91
mp-722267
9.472479
5.892111
-4.171318
other
Na5H7Se4O18
34
2
427.82
mp-2227031
7.007163
9.667054
-1.605503
other
Mg1Zn2Ag4O8
15
2
192.6
mp-540237
12.44453
7.392866
-7.467259
other
Li14Ni9P16O56
95
2
1,073.77
mp-1175713
3.864719
23.15836
-1.324621
other
Li9Mn2Co5O16
32
2
288.61
mp-1174555
3.957245
23.194983
-1.227135
other
Li7Mn2Co3O12
24
2
215.1
mp-863747
-2.622283
-0.614284
-5.292873
other
K4P2Pd1S8
15
2
408.1
mp-740930
11.725212
4.908438
-5.303682
other
La2P6H12O12
32
2
421.1
mp-1041714
13.866169
7.001853
-5.532144
other
Zn2Sn2P4O14
22
2
292.11
mp-1226083
10.469913
7.753521
-6.734966
other
Cs1Mn1P6O18
26
2
423.57
mp-1002346
7.389051
5.255848
-2.715816
other
Sm2H16N6O30
54
2
622.14
mp-728783
11.089642
7.498633
-1.456609
other
Na2Cd8Ge10O30
50
2
693.31
mp-1368706
7.455079
5.002943
-1.704164
other
Li2Fe2Si6O16
26
2
330.95
mp-708038
9.275909
4.296817
-4.331816
other
H36Se6N8O24
74
2
986.3
mp-1196795
7.347853
5.326177
-4.295449
other
Mo8C16N4O28
56
2
991.1
mp-758905
14.682962
7.712826
-5.847511
other
Li12Cr10P16O56
94
2
1,135.06
mp-672315
5.065957
2.729181
-3.648473
other
P6C12S12N18
48
2
1,003.62
mp-654299
6.02608
3.46305
-4.752759
other
Fe6C18S4O20
48
2
801.79
mp-780162
8.264192
13.719275
-0.837118
other
Li8Ti6Co6O24
44
2
454.95
mp-705154
13.164898
8.023448
-7.336607
other
Li2Cr8P14O48
72
2
884.49
mp-757965
8.284516
4.310998
-6.882185
other
Li2Cr3C6O18
29
2
311.79
mp-505097
9.559422
7.008181
-3.53828
other
Co6H4Se6O20
36
2
479.23
mp-787252
7.657127
5.198068
-2.028597
other
Li4Ti8P12O48
72
2
917.94
mp-987508
-6.626161
-6.776979
6.629392
other
Cs1Er6C1I12
20
2
481.92
mp-554839
11.796227
7.560075
-3.950077
other
Mn4Bi4As4O20
32
2
466.39
mp-756210
7.447237
12.753188
-1.498372
other
Li12Si4Ni4O20
40
2
329.1
mp-796986
7.494594
4.963723
-1.693381
other
Li5V3Co2O10
20
2
189.17
mp-803497
7.914298
5.435742
-1.629782
other
Li8Cr2Fe6O16
32
2
301.35
mp-1102318
13.821093
4.716362
-2.34225
other
Li2Cd2B2O6
12
2
138.77
mp-16772
11.359454
11.276148
-2.050999
other
La2Cu2W4O16
24
2
340.61
mp-1202144
11.125298
4.231439
-3.887703
other
Na6Bi2H16O14
38
2
396.11
mp-1180646
12.009378
5.393854
-2.602482
other
Na2Nd2B12O26
42
2
563.25
mp-765044
14.93253
8.260507
-4.864936
other
Li14V9P16O56
95
2
1,133.25
mp-1193044
11.977438
6.979148
-6.157111
other
Bi2P6N2O20
30
2
502.11
mp-1211829
10.527874
4.196703
-6.897044
other
K2Ce2S4O16
24
2
338.72
mp-1216036
9.604473
12.345052
-0.82123
other
Zn6Co8Sb4O24
42
2
469.39
mp-1201241
-0.988771
1.148659
-1.663431
other
Dy14C4I24O2
44
2
1,597.75
mp-1087519
4.528158
2.919432
-3.753438
other
C4Br2N2O2
10
2
229.26
mp-1042815
12.261505
11.025223
-1.733445
other
Mg3Fe4W6O24
37
2
563.95
mp-752962
7.329455
14.157537
-1.012282
other
Li5Fe3Co2O10
20
2
187.02
mp-1272284
7.416595
10.812525
1.542747
other
La4Ga2Ni2O12
20
2
240.87
mp-24361
12.20456
4.959759
-5.317085
other
Ca2P4H8O16
30
2
316.18
mp-1214636
8.725683
5.067183
-5.294803
other
Ba2H4S10O12
28
2
643.93
mp-554917
13.049021
5.998589
-6.970679
other
Li2Sn4P6O24
36
2
461.88
mp-26591
14.620513
7.844971
-4.636269
other
Li2Nb4P6O24
36
2
502.39
mp-760512
8.774234
3.541461
-7.508258
original
Li2Cu2C2O6
12
2
132.43