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-1201520
11.061917
6.819062
-1.69558
other
Na5Zr2Si6Cl1O20
34
12
493.73
mp-1222559
12.013274
9.812053
2.385096
other
Li3Y4Ti4S4O10
25
12
346.5
mp-2232676
11.532358
9.672974
2.316843
other
Ba3Sr1Mg1Nb2O9
16
12
263.15
mp-1120802
6.588795
13.922775
-1.299675
other
Li12Mn1Co1Ni10O24
48
12
416.29
mp-1222689
8.794529
13.858858
-0.526257
other
Li4Ti4Mn2Ni2O16
28
12
296.93
mp-1235034
11.013066
9.555663
2.768302
other
K2Li1Nd4Nb2O12
21
12
316.72
mp-1173256
7.358145
10.350438
1.217815
other
Sr4Y2Co2Cu4O14
26
12
347.14
mp-2239985
10.385883
9.167955
1.177075
other
Ba2Mg1Bi1Sb1O6
11
12
196.89
mp-1191912
9.432682
10.649013
-1.317289
other
Na1Tl3Cu4Te2O12
22
12
320.87
mp-2228394
11.978083
11.242925
2.133537
other
Mg1Ti4Pb2O9F2
18
12
229.24
mp-756557
11.734634
9.985145
2.727957
other
Li1Y4Ti4S4O10
23
12
337.56
mp-1205427
10.626328
11.494916
-3.258685
other
Ba1V2Ni3H2O10
18
12
216.37
mp-555419
8.07356
2.196345
-1.180946
other
Te12As8C6N6F48
80
12
1,426.57
mp-2217334
10.463528
10.071994
1.571161
other
Sr2Gd1Mg1Ru1O6
11
12
153.53
mp-1223759
11.5152
11.085074
-3.848298
other
K2Mg1Zr1Mo4O16
24
12
441.5
mp-1173255
8.717696
10.466157
2.254117
other
Sr4Nd2Ta2Cu4O16
28
12
364.52
mp-1211751
7.801001
9.843433
-3.891644
other
K1Al1Cr2H2O8
14
12
214.53
mp-1181051
9.37387
3.398439
-4.412212
other
Mo8H36C8N4O28
84
12
1,146.71
mp-581090
8.733528
3.467133
-7.104284
other
Ba6Ce4C10O30F4
54
12
743.81
mp-24303
10.874412
3.509123
-4.310799
other
Mg3P4H48N2O30
87
12
757.23
mp-1220901
10.049277
10.262332
2.256797
other
Na1Sm3Ti2Sb2O14
22
12
282.7
mp-2217772
11.813373
9.429799
2.112968
other
Ba2Ce1Mg1Nb1O6
11
12
185.59
mp-2230186
11.355126
11.985814
1.914747
other
Mg1Ti2Nb2Cu3O12
20
12
216.96
mp-1986412
7.540004
10.843398
2.050494
other
Sr8La8Mn4Zn4O32
56
12
767.16
mp-1191082
10.801856
5.897028
-5.439381
other
Nd2P4H4C2O12
24
12
300.84
mp-1173268
9.398998
9.13865
2.554889
other
Sr4La8Mg4Ru2O24
42
12
589.06
mp-1219405
-7.549105
0.772913
4.993584
other
Sm2Mn2Ga2Fe13C1
20
12
265.93
mp-1200029
10.82308
3.60874
-4.341372
other
Co3P4H48N2O30
87
12
760.49
mp-581361
8.667842
3.565553
-7.027573
other
Ba6La4C10O30F4
54
12
751.59
mp-697492
10.454082
11.945081
-3.561912
other
Ba1V2Cu3H2O10
18
12
213.83
mp-1203628
10.777759
3.619155
-4.33059
other
Ni3P4H48N2O30
87
12
751.1
mp-1044612
10.574399
10.920168
-1.306817
other
Y4Co13Si2Sb2O28
49
12
622.21
mp-698264
9.237638
3.310704
-5.503752
other
Cs4V4H48C16O56
128
12
1,468.67
mp-2234096
11.293866
10.512749
0.822944
other
Ba2Mg1Cu1W1O6
11
12
185.86
mp-1228606
8.170416
11.369857
0.512832
other
Ba2Fe5Bi1Pb2O13
23
12
316.21
mp-1234765
13.424782
7.033789
-0.491633
other
Ho2Mg1Cu1Si4O12
20
12
264.06
mp-2217837
7.685517
2.384121
-1.137614
other
Mg1Sb1S2N1F6
11
12
213.36
mp-1220769
7.683738
9.149601
-1.291164
other
Na1Yb3Ti2Sb2O14
22
12
274.11
mp-2218048
10.101933
9.490533
0.52235
other
Ba2Mg1Cu1Te1O6
11
12
174.03
mp-560937
12.684247
6.089324
-0.846697
other
Na6Si6Sn2O18F2
34
12
446.25
mp-2228647
11.619914
11.498373
-1.777457
other
K3Ho1Mg1V2O8
15
12
269.57
mp-39647
13.00553
6.324951
-0.602635
other
Na6Al4Fe1Si8O26
45
12
595
mp-1220997
11.31244
8.532393
-3.568444
other
Na1Ni2Mo2H3O10
18
12
207.24
mp-2239886
9.404474
8.65955
1.982772
other
Ba2La1Mg1Bi1O6
11
12
210.74
mp-1173254
8.715512
10.514467
2.296019
other
Sr4Sm2Ta2Cu4O16
28
12
362.55
mp-581188
10.746822
11.710064
-3.423621
other
Ba6Li4V4Cl8O14
36
12
702.09
mp-2226692
11.990513
11.275757
-3.098935
other
Mg1Fe2Mo2Cl2O8
15
12
261.23
mp-1218939
8.901309
11.338231
0.368908
other
Sr10Cu5Mo4W1O30
50
12
641.86
mp-1190971
10.711863
6.060177
-5.415774
other
Pr2P4H4C2O12
24
12
304.92
mp-1235105
11.599072
9.166158
3.201919
other
Li1Sc2Al2C2O2
9
12
104.84
mp-1228323
7.633002
9.495622
1.417179
other
Ba8Ca1Y3Cu12O24
48
12
726.76
mp-2232330
11.716737
11.731759
-2.165868
other
Na2Mg1V2Cd2O8
15
12
223.61
mp-1199703
9.061966
1.530785
-4.134197
other
Co4H72N26Cl10O6
118
12
1,139.02
mp-2240134
11.647314
9.431673
2.223465
other
Ba2Nd1Mg1Nb1O6
11
12
180.8
mp-1020108
2.363733
2.173232
1.559165
other
Li2Ca2Mg2Si2N6
14
12
165.56
mp-2233355
11.64835
9.777637
2.271171
other
Ba3Mg1Nb2Zn1O9
16
12
239.38
mp-1020016
2.300535
2.163456
1.531106
other
Li4Ca2Mg1Si2N6
15
12
163.77
mp-1192520
9.444076
7.540904
-2.778105
other
Ca2Al2Cu2Si4O18
28
12
354.55
mp-1213350
8.521268
1.226779
-4.190381
other
H30Ru2Pt1N10Cl10
53
12
668.59
mp-6841
8.471033
3.737321
-7.171946
other
Ba4Na1Cu1C2O10
18
121
273.64
mp-1019518
12.813038
5.864329
-0.966833
other
Ba4Ca2Si8B4O28
46
121
636.19
mp-1209231
9.099235
4.013412
-4.332435
other
Rb1Cr1H8N2O8
20
121
207.36
mp-703684
9.057295
1.505367
-4.12789
other
Mn2H24N4Cl8O4
42
121
482.04
mp-15472
8.443977
3.696877
-7.087442
other
Ba4Li1Cu1C2O10
18
121
264.38
mp-1105257
9.024729
3.911981
-4.399982
other
Cs1Cr1H8N2O8
20
121
216.12
mp-1198414
7.96418
0.299688
-4.492135
other
Tc1P4H36C12Br2
55
121
645.53
mp-1227593
12.697469
5.967063
-0.95203
other
Ca4Al4Si2H4O16
30
121
342.89
mp-1220250
11.226374
7.872756
2.875694
other
Nd4Fe4As4O3F1
16
121
298.83
mp-1223105
-3.258214
-2.70421
-5.330903
other
La4Bi4S8O3F1
20
121
457.83
mp-1216401
-4.816278
-1.06858
-5.800972
other
Zn1Fe4Cu10Sn5S20
40
121
788.9
mp-40830
9.724815
11.041442
3.338344
other
Na2Sr6La2Ti10O30
50
121
604.4
mp-1216428
-4.67841
-1.17491
-5.656486
other
V1Cu12Sn1As2S16
32
121
598.51
mp-1196957
7.941341
0.274583
-4.484021
other
Mo1P4H36C12Cl2
55
121
625.66
mp-42264
9.943148
3.110761
-3.913834
other
K8Mn4H16Cl16O8
52
121
922.68
mp-753353
8.677327
3.623399
-7.283622
other
Sr4Li1Cu1C2O10
18
121
230.68
mp-703275
9.766414
11.04645
3.341199
other
Na2Sr6Nd2Ti10O30
50
121
601.67
mp-1200698
7.929239
0.26724
-4.499525
other
P4H36W1C12Cl2
55
121
634.86
mp-1209431
11.343474
11.114224
-3.816244
other
Rb6Li4Al2Mo8O32
52
122
932.4
mp-1199734
9.558729
2.377994
-4.489954
other
Cu2H72S16N22O36
148
122
1,470.05
mp-1204181
5.951475
4.781855
-4.25308
other
Ag2S16N18Cl4O24
64
122
1,669.09
mp-1209544
11.291462
11.035186
-3.832725
other
Rb6Li4Ga2Mo8O32
52
122
944.05
mp-532680
-3.33118
-1.730815
-5.514642
other
Ba12Cd2Ag4Sn8S32
58
122
1,671.79
mp-697222
11.421297
10.999743
-3.703894
other
Rb6Li2Zn4Mo8O32
52
122
890.12
mp-1183030
6.347568
4.901128
-4.25457
other
Ag2S16N18Cl4O24
64
122
1,495.2
mp-1199172
8.948783
4.754339
-5.970487
other
K18Cu2S16N4O36
76
122
1,379.68
mp-1203789
7.830354
0.46576
-4.298545
other
Mn4B16H96C16N8
140
122
1,312.22
mp-1195117
11.671113
6.976702
-6.947701
other
Li4Fe4P8H8O24
48
122
584.32
mp-1213966
11.37499
11.118757
-3.760814
other
Cs6Li4Al2Mo8O32
52
122
979.17
mp-1192729
7.201364
3.445216
-4.803749
other
K4H4C4N8O8
28
122
423.62
mp-573196
11.333759
11.02616
-3.782726
other
Cs6Li4Ga2Mo8O32
52
122
976.3
mp-1213707
11.299009
11.009943
-3.872871
other
Cs6Li4Fe2Mo8O32
52
122
983.33
mp-1200371
9.547492
2.369191
-4.486966
other
Ag2H72S16N22O36
148
122
1,491.25
mp-1192660
7.938652
1.804137
-4.397269
other
Ag4H8C4S8N4
28
122
409.38
mp-1227667
10.505906
12.186581
-3.629869
other
Ba2Sr2V8Cu8O32
52
122
679.83
mp-1048447
8.39282
10.960904
2.066079
other
Ba2Y1Mn2Tl1O7
13
123
205.8
mp-1218695
8.316593
10.426262
1.798891
other
Sr2La2Cu1Ru1O8
14
123
191.88
mp-1046035
12.182933
10.796932
0.528483
other
Sr2Al1Tl1V2O7
13
123
187.15
mp-1405850
11.78755
10.485671
1.062696
other
Ba2Y1Tl1V2O7
13
123
210.92
mp-1214655
8.840306
10.448162
2.682635
original
Ba2La2Ti2Cu2O11
19
123
251.41
mp-1227406
9.903998
10.729181
3.150117
other
Ca2La2Ti3Cu1O12
20
123
240.29