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-1106083
8.974644
1.209601
-0.637881
other
Sr2Mn2O2F10
16
11
238.64
mp-1195288
9.371726
7.160823
-3.345045
other
Sr6Bi4Se12O38
60
11
936.31
mp-1196371
8.248317
6.951567
-5.244665
other
Ce2Cu12P6O42
62
11
862.12
mp-772588
14.512018
8.842395
-1.924622
other
Li4V10B6O26
46
11
451.05
mp-1194492
8.494062
7.227033
-5.017304
other
Al4Te2S2O18
26
11
346.52
mp-1329037
7.945936
10.147948
-0.832505
other
Mg4Ag2Sb2O12
20
11
234.08
mp-1209601
6.861537
4.746719
-4.823842
other
Pt2C4N4O8
18
11
264.84
mp-1209090
8.752526
0.947614
1.684679
other
Rb2Tm2Be2F12
18
11
247.85
mp-1102571
8.52037
1.141969
-4.286342
other
Ag2H6Br2N2
12
11
184.03
mp-759826
11.944107
7.589342
-8.133823
other
Li12Mn4P8O32
56
11
574.36
mp-1218632
13.297342
5.816007
-5.792456
other
Sr8Bi2P6O26
42
11
617.9
mp-569939
-4.481871
-2.632893
-3.901282
other
Ag2Bi4Se6Cl2
14
11
370.82
mp-757910
12.11655
7.534003
-7.163586
other
Ni4Sn4P8O32
48
11
588.49
mp-754986
14.410822
8.558089
-5.143366
other
Mn2P4W2O16
24
11
313.54
mp-8314
10.385762
8.036782
-0.723049
other
Cs4Na2As2O8
16
11
326.27
mp-556231
-4.003872
-1.428805
-5.583286
other
In4Ga2Bi2S12
20
11
486.93
mp-1369579
9.151154
11.595625
-0.282749
other
Mg4Fe2Sb2O12
20
11
215.06
mp-1181702
9.09951
6.815064
-3.606943
other
Cs6H2Se4O16
28
11
582.63
mp-1181950
7.334758
6.713419
-4.006451
other
Cd4Se6N4O30
44
11
714.59
mp-1048030
9.126231
7.964675
-5.777207
other
Zn2Ni6P6O26
40
11
472.4
mp-758261
13.519578
6.793574
-0.819245
other
Li8Cr4Si16O40
68
11
899.97
mp-1203900
8.612262
7.954453
-4.869097
other
V4Cu2P4O28
38
11
567.61
mp-1344766
8.134149
10.316211
-1.241496
other
Zn4Ag2Sb2O12
20
11
235.86
mp-1041164
14.610131
8.037944
-4.09733
other
Ca2Ti6P6O26
40
11
514.79
mp-1047801
13.933721
9.003143
-2.646931
other
Mg2P6W6O26
40
11
548.05
mp-696175
11.417525
4.941722
-4.396537
other
Na2As2H8O10
22
11
240.51
mp-1342072
8.367265
8.045928
-3.983266
other
Mg2Bi2As2O12
18
11
277.83
mp-1192478
11.69423
12.220376
-2.818119
other
Sr4V6H2O18
30
11
397.42
mp-1372882
10.515027
9.914394
2.465877
other
Ca4Ta2Bi2O12
20
11
280.9
mp-768097
10.656363
7.416384
-5.005478
other
V6H8N2O16
32
11
343.12
mp-1047841
14.180119
8.826771
-3.975137
other
Ca2Mo6P6O26
40
11
553.55
mp-1192398
13.117711
5.535457
-5.954254
other
K6Tm2P4O16
28
11
395.26
mp-557843
8.173835
10.588806
1.032001
other
Ca8Mn4Sb4O24
40
11
489.93
mp-1105616
4.862262
2.940833
-3.600166
other
Al2C6N2Cl6
16
11
558.25
mp-1195744
12.440855
6.520014
0.069812
other
Ba2Er4Si6O20
32
11
427.41
mp-1348334
11.843058
10.257821
1.739601
other
Mg4Ta2Sb2O12
20
11
241.92
mp-557339
10.698837
10.87237
-3.865965
other
Yb2Cu4Mo6O24
36
11
502.93
mp-1519537
9.357588
8.707326
3.287454
original
Ba2Sr2Ce4O12
20
11
338.19
mp-1196710
11.496354
11.090246
-3.752798
other
Cs2Fe10Mo14O56
82
11
1,330.42
mp-764397
13.782972
13.162824
-0.867801
other
Li6V4O8F4
22
11
224.95
mp-774064
11.897008
7.637158
-7.268053
other
Li2Sb2P4O16
24
11
290.09
mp-1191165
9.606544
7.496706
-5.745592
other
Zr2P4N2O16
24
11
407.37
mp-765340
9.246697
8.194366
-5.995343
other
Co2Ni2P4O16
24
11
274.55
mp-646182
10.883855
11.985082
-3.641296
other
Mg30V12Mo12O96
150
11
1,895.69
mp-705355
12.129559
7.565411
-7.601666
other
Li4Mn2P10O30
46
11
598.44
mp-1200131
10.232343
4.74663
-6.402156
other
Mn10H8S6O30
54
11
682.51
mp-1209088
8.647518
0.980056
1.724876
other
Rb2Y2Be2F12
18
11
258.08
mp-608354
5.552272
3.264057
-4.768435
other
Os4C12I4O12
32
11
686.89
mp-1209811
2.835883
3.083768
-4.280344
other
Re4Rh4N20Cl28
56
11
1,341.82
mp-1355631
9.433395
7.745215
-5.822412
other
Ca2Cu6P6O26
40
11
474.74
mp-560176
9.062727
0.80568
1.383722
other
K4Na2Al6F24
36
11
453.37
mp-1373655
11.865109
10.458553
2.469797
other
Ca4Ta2Ti2O12
20
11
241.44
mp-850185
13.151251
6.575784
-6.433761
other
Li6Bi2P4O16
28
11
342.29
mp-861500
8.691825
1.655984
-0.123944
other
Pr2B4H2F20
28
11
347.18
mp-1047875
13.929749
8.944935
-2.658625
other
Ca2P6W6O26
40
11
560.79
mp-1192694
-5.541661
-3.447288
-0.746488
other
Rb2U6Ti2Te18
28
11
933.22
mp-1312729
11.712088
13.007287
0.439066
other
Li6Ti2Cr4O12
24
11
223.73
mp-556177
12.962963
6.338158
-0.864409
other
Cs4Cu4Si16O38
62
11
1,035.86
mp-775333
10.302389
8.148892
-6.924728
other
Cr2Ni2P4O16
24
11
277.29
mp-1041461
14.689846
8.887364
-5.420555
other
Mg2V6P6O26
40
11
488.64
mp-1366540
12.078233
10.62443
1.609381
other
Ca4Ta2Mo2O12
20
11
255.19
mp-559336
10.564549
10.181096
-1.045959
other
Na2Nb6Te8O32
48
11
715.49
mp-1276468
12.74909
13.152246
-0.276128
other
Li4Ti2V4O12
22
11
230.33
mp-1095515
3.618387
2.770338
-3.817181
other
Cd2C2N2Cl6
12
11
410.39
mp-5997
14.068119
7.542654
-6.98208
other
K2Mn12P14O48
76
11
939.11
mp-19447
10.86572
11.420218
-2.846658
other
Cs4Na2V2O8
16
11
327.66
mp-1239259
-5.422541
-0.101085
-5.696741
other
Nb2Cr6Ag4S16
28
11
505.76
mp-1211959
8.898075
0.980187
-0.396493
other
K4Mn2O2F10
18
11
307.79
mp-775753
13.127338
7.499052
-7.260231
other
Mn4Sn4P8O32
48
11
631.55
mp-628305
-4.740145
-2.983011
-3.80957
other
K8Mn4Sn4Se16
32
118
949.23
mp-1247025
11.317677
3.944948
-7.642757
other
Li2Pr2S4O16
24
118
374.31
mp-560766
8.851233
8.861743
2.203191
other
Ba8Nd4Cu4O18
34
118
574.94
mp-1211135
11.200017
3.967982
-7.505757
other
Li2Nd2S4O16
24
118
364.25
mp-1245342
11.374903
4.040753
-7.569934
other
Li2Lu2S4O16
24
118
324.53
mp-636383
8.857906
8.83801
2.249771
other
Ba8Sm4Cu4O18
34
118
565.18
mp-1211153
11.2693
4.011641
-7.602088
other
Li2Dy2S4O16
24
118
337.55
mp-1210594
8.383582
9.465166
-3.786057
other
Na2Er2Re8O40
52
118
891.64
mp-621928
9.680453
5.089136
-7.006263
other
Li2Eu2S4O16
24
118
373.55
mp-1212317
8.375991
9.409308
-3.754703
other
Na2Eu2Re8O40
52
118
937.91
mp-1210949
11.273768
3.973484
-7.617124
other
Li2Ho2S4O16
24
118
334.95
mp-1211108
11.011371
4.065726
-7.512321
other
Li2Gd2S4O16
24
118
349.5
mp-1211171
11.296824
4.058935
-7.588782
other
Li2Er2S4O16
24
118
331.75
mp-1210998
11.329807
3.96106
-7.688836
other
Li2Tb2S4O16
24
118
342.74
mp-1210992
11.174711
3.975137
-7.547835
other
Li2Sm2S4O16
24
118
352.18
mp-1210580
8.361853
9.45392
-3.797035
other
Na2Lu2Re8O40
52
118
900.54
mp-1216847
-5.320408
-2.702164
-4.208937
other
Tl2Fe1Cu3Se4
10
115
220.17
mp-773510
9.620699
11.562812
-4.116073
other
Ti1V2Cr1O10
14
115
197.02
mp-1223497
-8.086673
-4.602602
3.236421
original
La2Ge4Pd3Pt1
10
115
201.65
mp-1220277
-5.376942
-2.637254
5.971507
other
Nd2Fe1Si2Ru1
6
115
120.64
mp-1223371
-8.386633
-4.76049
3.733871
other
La2Al3Ga1Pd4
10
115
199.94
mp-1229018
6.653447
5.722204
-3.978338
other
Ba3Ir2N12O24
41
115
728.32
mp-1220405
-5.343983
-2.146254
5.837764
other
Nd2Fe3Co1Si4
10
115
155.97
mp-1217929
-6.097814
-2.93781
-2.147295
other
Ta1Nb1Cu6Te8
16
115
437.19
mp-1226782
-5.587461
-3.740119
5.108061
other
Ce2Mn1Si4Pd3
10
115
175.32
mp-2232233
11.691245
12.30444
-3.386677
other
Mg1Nb1V3O10
15
115
238.69
mp-1220639
-7.312258
-1.114563
5.582592
other
Nd2Mn1Fe3Ge4
10
115
179.65
mp-1228066
-5.205397
-2.841279
-4.236072
other
Al1Tl2Cu3Se4
10
115
238.15
mp-1222661
-3.461323
-4.217188
0.689335
other
Li2Mg1Cd1P2
6
115
109.91
mp-1217842
-5.3689
-2.636684
-3.971763
other
Ta1V1Cu6Se8
16
115
361.81
mp-1216004
-9.478548
-0.454043
4.451908
other
Y1Th1B8Rh8
18
115
217.39