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-1226236
-6.230901
-2.076753
0.927028
other
Cr1Fe1As4
6
10
98.18
mp-765602
6.200017
12.678834
-1.372582
other
Na5Ni9O16
30
10
310.24
mp-1229163
13.03424
10.456077
2.334054
other
Ba4Nb25O40
69
10
933.78
mp-1100580
7.080949
19.628866
-0.113499
other
Li9Mn7O16
32
10
297.12
mp-1238817
-5.393809
-0.097136
-5.714923
other
Li2Cr4S8
14
10
243.15
mp-989651
-4.508292
-2.290565
-3.443685
other
Hf1Te1Se4
6
10
175.49
mp-1215853
-4.21687
-4.343176
-3.797883
other
Yb1Tm2Se4
7
10
194.27
mp-850935
10.178523
1.619695
-2.036738
other
Co8O8F8
24
10
255.14
mp-1224951
-6.263751
-2.165844
0.861211
other
Fe1Ni1As4
6
10
94.15
mp-1174016
3.991078
19.261877
-1.874772
other
Li5Co3O8
16
10
139.9
mp-1100790
-3.411773
-1.553856
-5.706556
other
Ca15Sn25S65
105
10
4,155.72
mp-1224850
-6.516912
-3.076866
0.136264
other
Fe2Sb2Te2
6
10
127.08
mp-1226504
-5.577444
-0.855544
-3.921106
other
Co1Ni2S4
7
10
103.16
mp-1175396
4.169001
19.512737
-1.838649
other
Li9Co7O16
32
10
284.06
mp-1217204
-4.194345
-0.300112
-4.706166
other
Ti2Cu1S4
7
10
119.27
mp-567369
-7.758743
-7.095078
6.717602
other
Nd4Mg3Co2
9
10
234.15
mp-1222181
-7.356783
-1.125487
3.609118
other
Mn12Pt4N1
17
10
205.64
mp-1226005
-6.462986
-2.839175
0.013184
other
Co2Sb2Te2
6
10
125.08
mp-755359
13.222143
0.395308
0.881598
other
Fe4O4F4
12
10
141.08
mp-1175506
6.555167
14.811496
-1.604244
other
Li9Co7O16
32
10
252.58
mp-1303525
6.451771
14.368469
-1.781141
other
Li6Co8O16
30
10
283.77
mp-753575
-1.228633
1.908693
-1.670343
other
Ba1Ca1I4
6
10
300.24
mp-1222959
2.686179
-0.547525
-1.249012
other
La1Co5H3
9
10
93.78
mp-1100482
7.081402
19.626167
-0.12358
other
Li9Mn7O16
32
10
298.8
mp-1174048
4.595079
17.979874
-1.835484
other
Li5Co3O8
16
10
126.25
mp-2225376
-3.935225
-0.306044
-4.643379
other
Mg1Ti2S4
7
10
126.31
mp-677305
12.80576
11.57002
1.340474
other
Li17Ti20O40
77
10
710.01
mp-1217600
-5.16561
-2.063483
2.464567
other
Ti68Cu4P48
120
10
1,806.94
mp-1215856
-4.184114
-4.359635
-3.783715
other
Yb1Ho2Se4
7
10
197.89
mp-2234316
7.798919
10.310711
-3.820358
other
Mg1Cr6O16
23
10
304.2
mp-1175529
4.165833
19.540689
-1.828358
other
Li9Co7O16
32
10
286.11
mp-763204
12.840325
-0.894242
0.473098
other
Mn8O8F8
24
10
281.09
mp-1175491
4.191417
19.467354
-1.813333
other
Li9Co7O16
32
10
287.61
mp-1226008
-5.374839
-1.716384
-2.635654
other
Co2As2Se2
6
10
99.63
mp-1100476
7.153605
19.626768
-0.118091
other
Li9Mn7O16
32
10
296.8
mp-571606
-7.723032
-7.520333
6.860628
other
Sm4Mg3Co2
9
10
226.14
mp-1238801
-5.641283
-0.292467
-5.602077
other
Cr4Cu2S8
14
10
231.15
mp-570062
-4.621655
-1.692149
-3.267781
other
Zr1Ti1Se4
6
10
156.8
mp-1229055
-5.740229
-3.636861
-2.064785
other
Ag1Sb1Te2
4
10
140.62
mp-1215343
8.337056
2.452192
-1.050312
other
Zr2O4F10
16
10
233.99
mp-674331
11.090484
8.46646
-1.825551
other
V4Ge13O36
53
10
527.29
mp-997014
7.139884
9.355537
-1.128831
other
Pb2Au2O4
8
10
150.28
mp-776040
14.768482
12.34117
-0.852211
other
V8O8F8
24
10
278.57
mp-1245750
1.319137
2.356411
1.397147
other
K2Ru2N2
6
105
127.24
mp-27809
-3.50775
-4.196669
0.679431
other
Ba4Ge8P8
20
105
504.15
mp-29136
1.57343
1.776262
1.258651
other
Sr12Cu6N10
28
105
548.19
mp-27810
-4.612758
-4.889684
0.372031
other
Ba4Ge8As8
20
105
541.27
mp-1641670
8.952794
12.386483
-0.086443
other
Li24Ni4O16
44
105
406.41
mp-1192665
6.967713
7.230635
-3.727642
other
Mg2Cl4O20
26
105
522.24
mp-29740
-5.4788
-5.854777
0.545252
other
Tl2Zn4Sb4
10
108
272.1
mp-771411
10.422079
8.146433
1.323104
other
Sr6Ge2O10
18
108
276.51
mp-1223390
-7.584871
0.139236
5.672758
other
La12Al6Fe22
40
108
793.05
mp-1207924
-6.641554
-3.654019
4.112778
other
U6Ga4Ge6
16
108
332.58
mp-571016
-4.628415
-3.022952
-3.855293
other
K2Sn2Se4
8
108
244.38
mp-1213069
9.108521
0.91415
0.649552
other
Fe6Pb10F38
54
108
847.1
mp-1228467
-5.945523
-2.584202
6.087338
other
Al6Fe2Si4
12
108
174.4
mp-1211805
-6.762249
-3.423689
0.867426
other
Pr16Sb28Rh34
78
108
1,663.26
mp-1216665
-6.96606
-4.594204
5.576871
other
Tm6Ga4Ge6
16
108
322.46
mp-1221312
-7.801395
0.245669
5.596294
other
Nd12Ga6Fe22
40
108
774.38
mp-1226102
-5.3006
0.271616
3.159216
other
Cr4B6W6
16
108
176.44
mp-1219263
-7.667178
0.349709
5.616106
other
Sm12Al6Fe22
40
108
763.72
mp-28111
7.007058
5.219669
-4.248741
other
K6N2O6
14
108
264.54
mp-1209768
-6.494702
-3.841154
0.709756
other
Pr16Sb28Pt34
78
108
1,756.95
mp-541732
8.731282
1.236066
1.189256
other
Al6Pb10F38
54
108
782.53
mp-1228022
-7.794308
0.27703
5.561314
other
Ce12Al6Fe22
40
108
727.87
mp-1188296
-5.472467
-3.202678
5.117229
other
U6Al4Si6
16
108
313.27
mp-1211689
-6.768118
-3.461522
0.843544
other
Nd16Sb28Rh34
78
108
1,652.35
mp-1104748
-6.369423
-5.541011
3.979279
other
Yb2Ga8Ge4
14
108
281.92
mp-559264
9.510323
8.69329
-0.832372
other
Bi4Pd2O8
14
108
237.76
mp-556117
8.630273
1.365466
0.993285
other
Ga6Pb10F38
54
108
829.88
mp-1207928
-5.399399
-3.197916
4.972872
other
U6Ga4Si6
16
108
314.28
mp-758272
11.194984
9.560124
4.254877
other
Zr16N8O20
44
108
544.06
mp-1208830
8.723047
1.806495
1.269466
other
Ti6Pb10F38
54
108
856.7
mp-1211963
-6.499328
-3.93402
0.72491
other
La16Sb28Pt34
78
108
1,768.36
mp-1208227
9.174484
2.070534
1.305526
other
V6Pb10F38
54
108
844.65
mp-1223153
-7.109822
-6.447236
5.312882
other
La10Pb6O2
18
108
570.04
mp-1223645
-8.579433
-0.659616
4.930027
other
La12Ga6Co22
40
108
747.49
mp-1423122
-5.958509
-3.460075
-1.891698
other
Rb4Sn2Te10
16
108
625.94
mp-560165
9.481042
8.919258
-0.409323
other
Cu2Bi4O8
14
108
222.33
mp-1219995
-7.593772
0.236181
5.653602
other
Pr12Al6Fe22
40
108
768.91
mp-1220621
-7.674167
0.286258
5.633436
other
Nd12Al6Fe22
40
108
762.57
mp-1207666
-6.701946
-3.603029
4.321145
other
U6Al4Ge6
16
108
331.91
mp-1223671
-4.652018
-2.702568
-4.007396
original
In2Ga2Se4
8
108
214.51
mp-778387
8.325445
1.090344
1.775887
other
Ba10Y6F38
54
108
1,047.66
mp-1383115
-5.469656
-0.881261
-4.578365
other
Mg2Ni4S8
14
109
239.74
mp-761390
10.283571
12.76655
0.959283
other
Ta4Fe4O16
24
109
266.49
mp-1077762
-5.214812
-3.874114
5.093587
other
Nd2Si2Pt2
6
109
128.02
mp-1071028
-6.430731
-2.833818
1.797357
other
La2As2Ir2
6
109
132.94
mp-760439
12.318146
11.232059
2.140311
other
Ta2Ti2O8
12
109
136.5
mp-973793
1.933597
2.206373
1.28095
other
Li16Se2N4
22
109
243.55
mp-1070925
-5.698133
-1.830486
1.30034
other
La2P2Rh2
6
109
123.1
mp-752463
12.108563
11.082261
3.20906
other
Nb2N2O2
6
109
82.59
mp-1206597
-5.027658
-4.303195
6.016693
other
Ce2Al2Si2
6
109
131.71
mp-1220161
-4.804016
-4.350375
6.317146
other
Nd2Al2Si2
6
109
130.18
mp-1025028
-4.905965
-4.500218
5.623998
other
Pr2Si2Ag2
6
109
139.91
mp-1206928
-6.943145
-4.418963
5.400845
other
Ce2Al2Ge2
6
109
135.53
mp-12804
-4.728435
-4.34608
6.29608
other
Sm2Al2Si2
6
109
126.35
mp-1206381
-4.983623
-4.017596
5.943382
original
Nd2Si2Ni2
6
109
116.54
mp-29146
11.911451
12.240422
-1.307504
other
V4Sb4O16
24
109
264.57
mp-761281
9.061185
12.263026
-1.303625
other
Fe2Sb2O8
12
109
128.29