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-775025
9.758207
8.075367
-6.513754
other
Mn2Cu2P4O16
24
11
314.52
mp-1041428
14.1308
8.9037
-4.106309
other
Zn2Mo6P6O26
40
11
549.73
mp-1229063
13.619604
6.636626
-5.987709
other
Cs2U2P4O16
24
11
398.65
mp-704688
6.231348
3.445436
-4.584877
other
Fe4C18O16F4
42
11
607.67
mp-756141
13.623723
7.780983
-5.681391
other
Fe4Te4P8O32
48
11
654.8
mp-26613
11.561217
7.689951
-7.610589
other
Li4Fe4P8O28
44
11
502.24
mp-768410
13.734672
4.470416
-2.575216
other
Li6Mn2B8O18
34
11
332.73
mp-768740
12.774952
5.792389
-2.409112
other
Li4Bi10B6O26
46
11
639.17
mp-1194392
8.620417
7.794575
-2.665198
other
Sr2Al4Si4O20
30
11
353.88
mp-617283
10.322292
8.084906
-4.75177
other
Cu4As2Cl2O8
16
11
226.98
mp-978099
13.149727
5.596278
-5.928128
other
K6Gd2P4O16
28
11
391.66
mp-559940
2.764011
2.739532
-4.327454
other
Al4S8N4Cl24
40
11
1,178.88
mp-1194026
6.957409
5.623171
-4.747392
other
Ir2S4Cl6O14
26
11
1,110.22
mp-557752
10.325372
4.348015
-6.370417
other
Cs2H2S2O8
14
11
239.33
mp-579536
0.355883
2.426363
-4.984187
other
Cs2Cu4I2Cl4
12
11
347.75
mp-1200603
7.892267
7.868933
-4.2245
other
Cs8Te2P6O36
52
11
1,134
mp-752823
12.614983
12.954927
-1.722817
other
Li8V4O8F8
28
11
296.63
mp-554842
10.794904
7.466256
-0.474851
other
Cs10Si6Ag2O18
36
11
770.96
mp-550553
9.550863
8.372244
-0.747329
other
Cd2Bi2Cl2O4
10
11
202.59
mp-755864
12.386434
7.315424
-7.224276
other
Ti2Cu2P4O16
24
11
290.46
mp-26005
14.036262
7.587773
-7.09693
other
Li2Mn12P14O48
76
11
938.71
mp-768885
14.496875
5.238299
-2.160103
other
Li6V2B8O18
34
11
334.03
mp-1239179
-5.503665
-0.139394
-5.647465
other
Ta2Cr6Cu4S16
28
11
470.09
mp-1101550
13.094569
7.277039
-7.123465
other
Li4Cr2P10O30
46
11
605.83
mp-9511
-3.291703
-1.147749
-5.212023
other
K4As2Au2S8
16
11
439.31
mp-1302599
10.014394
12.549733
0.221728
other
Li20Mn4O12F4
40
11
420.49
mp-1273426
13.36368
12.769699
-0.481027
other
Li8V4O8F4
24
11
221.49
mp-1211243
8.752914
1.024295
1.692064
other
K2Lu2Be2F12
18
11
236.02
mp-1196308
4.059895
2.928787
-3.737082
other
Bi4C6Br18N18
46
11
1,310.75
mp-1212242
8.575895
1.804448
0.526553
other
Ho2Be2N2F12
18
11
271.18
mp-775167
9.726645
8.029503
-6.339703
other
Fe2Cu2P4O16
24
11
300.78
mp-1238851
-5.022339
0.004101
-5.519422
other
Ti2Cr2Ag2S8
14
11
267.67
mp-1209839
9.2408
9.466672
2.065173
other
Nd8Cu4Sn4O24
40
11
521.08
mp-1370909
11.540041
10.089808
0.593197
other
Ca4Sb2Mo2O12
20
11
256.7
mp-1192628
11.69987
12.048027
-2.75887
other
Ba4V6H2O18
30
11
412.76
mp-1212472
10.966058
7.641009
-0.870181
other
K4Nd8Ge8O34
54
11
817.29
mp-1095437
9.745539
6.850957
-3.335713
other
Lu2Se2O6F2
12
11
193.59
mp-1102060
10.997782
4.003516
-3.243745
other
Tm2H4Cl2O4
12
11
140.46
mp-560784
11.207072
7.76977
-7.456505
other
Ca2Fe6P6O26
40
11
498.84
mp-1041246
8.696115
7.956746
-4.806126
other
Ca2Ag6P6O26
40
11
533.99
mp-18647
11.793529
9.960925
2.451283
other
Nd6Ti6Se4O16
32
11
488.24
mp-1331696
11.288843
10.21961
2.219061
other
Ca4Ta2Sn2O12
20
11
267.27
mp-14735
8.867539
9.536858
2.092656
other
La8Cu4Sn4O24
40
11
536.91
mp-1019793
13.180344
5.583256
-5.921768
other
K6La2P4O16
28
11
425.48
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