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-1275594
10.511847
11.239035
-0.044167
other
Mg4Cr2Sb2O12
20
11
212.35
mp-1173919
6.353142
19.279705
-0.778232
other
Li4Mn2Co2O8
16
11
150.07
mp-755563
12.589226
7.465991
-7.342367
other
Ti4Ni4P8O32
48
11
574.75
mp-1212971
8.445085
1.878278
0.02946
other
Dy2Be2N2F12
18
11
266.72
mp-1047839
9.658906
8.228137
-6.589842
other
Zn2Co6P6O26
40
11
466.41
mp-17189
13.651505
6.337009
-5.312848
other
K6Ce2P4O16
28
11
417.72
mp-558810
8.463836
11.586516
2.132572
other
Ca8Ta4Mn4O24
40
11
487.62
mp-1209125
8.37144
1.215347
0.230848
other
Rb2Yb2Be2F12
18
11
266.43
mp-1041175
8.668977
7.921349
-4.889972
other
Zn2Ag6P6O26
40
11
543.58
mp-1173918
6.642777
18.738113
-0.737193
other
Li4Mn2Co2O8
16
11
148.28
mp-752710
14.028254
4.568349
-2.520151
other
Li6Cr2B8O18
34
11
328.37
mp-684052
14.014321
7.170697
-5.218633
other
Li2Sn12P14O48
76
11
1,173.45
mp-1047917
13.948595
9.028256
-2.80799
other
Zn2P6W6O26
40
11
566.62
mp-1041176
9.401084
7.748655
-5.886831
other
Zn2Cu6P6O26
40
11
460.34
mp-1572353
13.808953
13.098119
-0.752865
other
Li6V4O8F4
22
11
242.28
mp-557942
11.284403
7.721382
-7.460277
other
Sr2Fe6P6O26
40
11
511.96
mp-1200601
12.093886
9.079708
-5.175499
other
Mo6P4Pb2O28
40
11
558.69
mp-1301359
6.815447
14.524044
-1.503239
other
Li6Co4Ni2O12
24
11
204.72
mp-1211245
8.778403
1.00273
1.677138
other
K2Tm2Be2F12
18
11
238.88
mp-1239164
-5.523356
-0.230571
-5.704126
other
Nb2Cr6Cu4S16
28
11
487.95
mp-561096
-2.871671
-2.536216
-5.548095
other
Yb4Pr2Dy2S12
20
11
503.09
mp-725644
10.172046
7.615137
-2.515722
other
As2Pb4Cl4O6
16
11
359.25
mp-561470
4.550437
3.055872
-4.133391
other
Au2S10N10Cl8
30
11
742.82
mp-568011
-3.889965
-2.520999
-3.173782
other
K6P10Ru2Se20
38
11
1,069.88
mp-1199860
9.862997
8.721243
-4.035353
other
V4Co4Se4O22
34
11
464.38
mp-1188206
8.226829
6.545012
-5.215325
other
Cu2Pb2S2O12
18
11
258.51
mp-553924
10.650403
7.690436
-2.86374
other
Ag16P4I4O16
40
11
692.5
mp-17187
13.177588
5.593858
-5.849846
other
K6Nd2P4O16
28
11
419.74
mp-1041464
11.261712
7.903005
-7.47228
other
Mg2Fe6P6O26
40
11
483.08
mp-9344
-6.059663
-3.176006
-2.003786
other
Ti2Tl2Cu2Te6
12
11
336.21
mp-555271
8.703253
1.237149
1.568596
other
Ba4Zn4Cl2F14
24
11
400.02
mp-1346860
9.249012
12.880331
0.731565
other
Ta2Mn2Zn4O12
20
11
218.6
mp-1213271
8.440443
1.855331
0.228401
other
Er2Be2N2F12
18
11
257.04
mp-622558
11.259816
7.869142
-1.361279
other
Dy4Fe4Ge8O28
44
11
564.87
mp-1232525
11.468998
8.119946
2.710727
other
La4Cr4As4O4
16
11
318.58
mp-1194534
12.323313
7.382299
-0.650875
other
La6V2H6O16
30
11
385.07
mp-1195598
12.407937
6.534999
0.151528
other
Ba2Er8Si10O34
54
11
731.29
mp-723781
10.826439
5.913191
-4.99852
other
Mo2P2H6O14
24
11
290.96
mp-1041188
12.15265
6.572803
-5.730281
other
Zn2Bi6P6O26
40
11
653.14
mp-560478
12.461314
6.521197
0.053265
other
Ba2Y4Si6O20
32
11
435.4
mp-777412
13.38182
12.678025
-0.447833
other
Li8V4O8F4
24
11
222.75
mp-731713
10.049207
11.987715
-3.453794
other
Mn2V4Pb4O18
28
11
409.31
mp-558998
12.845472
6.32809
-0.866334
other
K8Cu4Si16O40
68
11
960.98
mp-731872
12.137592
7.192217
-0.895706
other
Mn2Al12Si8O38
60
11
629.85
mp-1374044
7.42455
9.804042
-0.374841
other
Ca4Ag2Sb2O12
20
11
267.73
mp-1366935
10.594436
9.746921
0.338932
other
Mg4Sn2Sb2O12
20
11
235.47
mp-6164
1.531811
2.025758
1.529272
other
Sr32Mo8N32O8
80
11
1,420.41
mp-19949
11.825782
7.378526
-0.70742
other
Sc4Cu4Ge8O26
42
11
546.71
mp-1342422
10.118392
9.574219
-0.236258
other
Zn4Bi2Sb2O12
20
11
253.67
mp-1195063
12.442952
6.516318
0.045285
other
Ba2Dy4Si6O20
32
11
446.64
mp-1579322
13.900454
7.717596
-6.23826
other
Cr2Sb2P4O16
24
11
316.16
mp-1214722
9.406585
1.68092
1.662912
other
Ba4Fe4Cl2F14
24
11
410.29
mp-554147
-2.511366
-0.294829
-5.17282
other
Rb4Nb4P4S22
34
11
952.22
mp-9510
-2.778905
-0.800117
-5.452713
other
Tl4P2Au2S8
16
11
432.72
mp-1181649
8.497172
5.395046
-5.344418
other
Cu2Pb2S2O12
18
11
271.28
mp-1373974
7.838965
10.820571
0.273527
other
Ca4Ni2Sb2O12
20
11
239.55
mp-11114
-4.749041
-2.327462
-3.497093
other
K2Cu2Pd2Se10
16
11
412.03
mp-774714
14.13651
7.33805
-6.049934
other
Li6Sb2P4O16
28
11
326.56
mp-9509
-2.673946
-0.682706
-5.334211
other
K4P2Au2S8
16
11
444.13
mp-1290236
9.445959
12.389008
1.294398
other
Mg8Ta4Mn4O24
40
11
431.2
mp-2646936
-1.296664
2.981167
-3.122206
other
Cs8Sb8S8I16
40
11
1,703.1
mp-1040459
9.806567
8.108462
-6.081101
other
Na2Fe6P6O26
40
11
500.1
mp-1346908
10.33077
9.852547
0.003054
other
Zn4Sn2Sb2O12
20
11
237.86
mp-1368098
12.208091
10.649689
-0.452438
other
Mg4Sb2W2O12
20
11
241.75
mp-1344346
8.61638
12.517934
-0.105718
other
Ta2Zn4Co2O12
20
11
205.54
mp-1013899
9.837863
8.178999
-6.146308
other
Li2Fe6P6O26
40
11
498.56
mp-1239175
-5.294421
0.005609
-5.666944
other
Ta2Cr6Ag4S16
28
11
556.37
mp-1094143
8.637621
7.939145
-5.00565
other
Li2Ni6P6O26
40
11
471.23
mp-684108
14.129094
7.157856
-6.107077
other
Li4Ti2P10O30
46
11
610.08
mp-1567267
13.823585
13.127569
-0.823798
other
Li6V4O8F4
22
11
229.38
mp-567373
4.899883
2.029721
-2.468711
other
La2C2N4Cl2
10
11
162.58
mp-17427
11.551219
9.251167
-5.079832
other
Ag2Mo6P4O28
40
11
548.45
mp-1192522
9.695897
7.387379
-5.509922
other
Ba4Cu2P4O18
28
11
414.07
mp-569810
1.906067
2.18342
1.276969
other
Sr8B4I4N8
24
11
592.33
mp-1204041
7.478854
4.840844
-5.418964
other
U4C8N2O30
44
11
901.71
mp-567722
2.124936
1.991312
1.559493
other
Ca14Nb2Si4N18
38
11
545.16
mp-643791
12.128263
4.929748
-5.194924
other
Rb2P2H4O8
16
11
218.53
mp-768715
13.786316
4.426504
-2.393514
other
Li6Bi2B8O18
34
11
354.19
mp-1197749
12.360774
6.469012
0.086726
other
Ba2Gd4Si6O20
32
11
445.11
mp-1207645
8.441378
1.928445
-0.015611
other
Y2Be2N2F12
18
11
268.35
mp-1013912
9.37689
8.35346
-6.350951
other
Li2Co6P6O26
40
11
457.39
mp-1224857
10.142554
6.913781
-2.464949
other
K2Ca4Si16O48
70
11
1,106.94
mp-1207549
2.521277
2.865712
-3.842897
other
Zn2Ru4Br14N12
32
11
857.18
mp-1178258
8.118843
5.620812
-6.018342
other
Fe2C2S2O14
20
11
291.4
mp-1041140
14.589743
8.125588
-4.058311
other
Mg2Ti6P6O26
40
11
500.73
mp-554177
8.430573
10.326493
1.404888
other
La8Cu6Mo2O24
40
11
607.14
mp-1346978
8.458143
11.522957
0.280182
other
Ta2Zn4Cu2O12
20
11
220.79
mp-1275484
8.835039
11.852334
-0.266441
other
Mg8Mn4Sb4O24
40
11
432.76
mp-23750
8.082266
0.652368
-4.453219
other
Si2H18C8F6
34
11
472.76
mp-1208909
10.523917
9.610856
3.038844
other
Sr4La6Ti4O20
34
11
475.99
mp-1189956
8.882813
1.255761
-0.637153
other
Ba2Mn2O2F10
16
11
266.75
mp-505375
8.185258
2.284084
-1.591453
other
Cs2B2C4F16
24
11
385.66
mp-1198043
12.809482
6.405219
0.051936
other
Sr2Sc8Si10O34
54
11
659.44
mp-1047869
13.537886
8.015182
-7.103154
other
Ca2Cr6P6O26
40
11
491.34
mp-1190173
8.428776
7.961111
-2.345566
other
Cu2Pb6Cl4O8
20
11
395.57
mp-1345721
10.519998
10.993867
2.724425
other
Ca8Ta4Cr4O24
40
11
478.39
mp-705356
12.320736
7.452371
-7.426392
other
Li4Fe2P10O30
46
11
602.06
mp-757947
13.614974
6.821501
-6.366455
other
Li4Sn2P10O30
46
11
654.04
mp-997571
8.421175
0.771801
-4.400858
other
H12C2I2N2
18
11
246.29
mp-775200
10.076223
8.236624
-7.103512
other
Mn2Ni2P4O16
24
11
271.19