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-1195398
8.737759
3.906279
-7.289237
other
Ce18C18O72
108
174
1,225.41
mp-1207939
-6.375782
-2.291914
0.85681
other
Yb10Ni28As19
57
174
875.1
mp-1191795
-6.44909
-2.03534
0.993163
other
Ho2Ni12As7
21
174
292.01
mp-1220598
-4.595116
-1.218517
-2.59222
other
Nb6In1Se8
15
174
314.02
mp-23827
3.188809
-0.562371
-2.368474
other
Sr7H12Cl2
21
174
338.98
mp-1200950
-6.026258
-0.49308
1.412494
other
Er6Co30P19
55
174
666.63
mp-1209077
-6.384935
-2.240177
0.89994
other
Sm6Ni20As13
39
174
580.12
mp-1214373
-6.330444
-2.314928
0.871968
other
Ce6Ni20As13
39
174
596.26
mp-1220483
-3.995755
-0.448476
-3.173081
other
Nb6Tl1S8
15
174
279.86
mp-1208731
-5.831267
-1.415203
0.824683
other
Sm6Ni20P13
39
174
539.76
mp-7788
-6.081772
-0.482224
1.456989
other
Er2Co12P7
21
174
245.17
mp-1207712
-6.673316
-1.413053
1.854786
other
Y2Co12As7
21
174
283.69
mp-18648
-6.077686
-1.083793
1.191013
other
Zr2Ni12P7
21
174
246.61
mp-1191002
-6.451945
-2.087
0.98501
other
Nd2Ni12As7
21
174
293.87
mp-1212094
-6.407626
-2.202802
0.943952
other
Lu10Ni28As19
57
174
853.6
mp-1222051
12.531313
7.628477
0.562678
other
Mg3Al6O12
21
174
188.3
mp-1191623
-6.390562
-2.157895
0.98493
other
Ce2Ni12As7
21
174
298.39
mp-1191829
-6.182912
-0.495755
1.517805
other
Li2Co12P7
21
174
238.73
mp-1190589
-5.742716
-0.864329
1.944586
other
Tm2Mn12P7
21
174
265.86
mp-1191758
-6.466876
-2.010365
1.028105
other
Dy2Ni12As7
21
174
290.86
mp-1207275
-8.364941
-5.842523
5.465204
other
Dy3In4Co2
9
174
193.26
mp-675555
1.083811
1.60762
-5.053084
other
Na3Nd5Cl18
26
174
629.46
mp-541196
-6.129175
-0.418794
1.987639
other
Ce2Fe12P7
21
174
261.28
mp-1212204
-6.365183
-2.277102
0.931329
other
La6Ni20As13
39
174
613.11
mp-23032
1.416682
2.619297
-5.9403
other
Cs6Cu6Cl18
30
178
835.37
mp-760151
9.042198
0.726308
-0.176635
other
Li6Ag6F18
30
178
389.11
mp-36775
12.313295
7.277247
1.02287
other
Sr6Al12O24
42
178
592.19
mp-761897
9.79107
0.401848
-0.053237
other
Li6Cu6F18
30
178
323.59
mp-560265
8.6658
3.654516
-7.100208
other
Ca18C18O54
90
179
1,174.59
mp-1226534
2.289245
1.724396
1.829879
other
Ce1Nd1N2
4
166
66.76
mp-1218975
-2.973417
-3.818906
-3.517725
other
Sm1Y1S2
4
166
87.51
mp-1040497
13.089717
12.097687
-0.248553
other
Al4V8O16
28
166
290.08
mp-18919
7.410957
13.467061
-1.709175
other
Co1Pd1O2
4
166
42.3
mp-1222074
-5.109315
-2.685904
-3.960609
other
Mn2In2Se5
9
166
234.67
mp-568588
-4.252151
-3.999436
-3.930074
other
Nd1Tl1Se2
4
166
124.34
mp-1193010
-7.089845
-0.481068
4.317634
other
Gd2Mn17C3
22
166
266.96
mp-27913
9.372335
7.236365
-4.052587
other
Co1H1O2
4
166
30.31
mp-1173963
4.089122
19.175102
-1.839294
other
Li5Co3O8
16
166
139.45
mp-1217976
-4.060591
-0.160346
2.851802
other
Ta2V1C2
5
166
60.23
mp-1205374
-7.523596
0.917406
5.117436
other
Nd2Fe15Si2
19
166
258.77
mp-1216069
2.187738
1.748222
1.864988
other
Y3Sc1N4
8
166
112.4
mp-1029479
2.029384
2.0547
1.327993
other
Ca1In2N2
5
166
79.19
mp-1222031
-6.912124
-0.918335
4.166955
other
Mn11Al4V1
16
166
188.39
mp-1223802
-6.270042
-3.304459
5.079802
other
Hf2Al3Zn1
6
166
100.39
mp-1219960
-3.312627
-2.275442
-5.459356
other
Pb4Se1S3
8
166
218.79
mp-8607
-5.946054
-4.853637
1.048005
other
Na1Cu4Sb2
7
166
131.18
mp-19225
8.184729
13.283388
-1.25004
other
Fe1Ag1O2
4
166
44.87
mp-1065514
-6.000197
-3.816724
-1.787557
other
Y1Tl1Te2
4
166
140
mp-999471
-4.18938
-4.226055
-3.839101
other
Na1Nd1Se2
4
166
109.27
mp-1176792
9.328417
0.685163
0.446665
other
Li1Ag1F2
4
166
51.3
mp-19365
11.040571
11.74694
-3.016918
other
Ba3V2O8
13
166
209.53
mp-1221894
-9.205548
-3.96405
3.630858
other
Mn2Ga1Cu3
6
166
81.16
mp-1224419
0.572606
1.423621
2.8106
other
Hf1Nb1N2
4
166
45.56
mp-1217692
-7.357871
-1.472296
5.914232
other
Tb2Mn3Al1
6
166
110.8
mp-3567
-5.225923
-1.920475
-3.419168
other
Na1V1Se2
4
166
83.03
mp-30580
-8.722362
-5.443514
4.070482
other
Sr1Ga1Cu2
4
166
82.8
mp-771648
11.378325
12.261692
0.075883
other
Rb1Cr1O2
4
166
52.17
mp-1205811
8.344512
1.227853
0.526058
other
K3Ir1F6
10
166
271.58
mp-1080452
-5.048871
-5.2934
0.340463
other
K1Cd4As3
8
166
211.97
mp-1215478
-7.530076
-1.475861
4.449749
other
Zr2V1Co3
6
166
84.53
mp-755311
9.758866
8.49448
3.31105
other
Na1Lu1O2
4
166
51.22
mp-11332
-3.381907
1.296296
2.781556
other
U3B6C3
12
166
132.32
mp-33332
8.837982
12.627636
-1.323829
other
Co5Sb1O8
14
166
150.31
mp-1411320
12.763265
11.204734
0.390925
other
Y2V4O8
14
166
181.46
mp-1044208
12.991089
10.923391
-0.53166
other
Mg1Mo4O8
13
166
177.47
mp-1190608
-7.667194
1.020231
4.73141
other
Ho2Fe17C3
22
166
268.28
mp-9872
-3.557938
-4.588861
0.779339
other
K4Be1P2
7
166
225.74
mp-1100800
1.959658
1.848455
2.243535
other
Zr3Sc4N8
15
166
193.86
mp-1224414
-7.766579
-4.187863
1.152157
other
Ge1Bi1Pd6
8
166
133.47
mp-754490
8.03621
11.273338
-1.010225
other
Ni4Hg4O8
16
166
216.56
mp-1400454
-5.231575
-0.686641
-5.076186
other
Mg1Mn4S8
13
166
237.83
mp-1190182
-7.837755
0.899644
4.998326
other
Nd2Fe15Co2
19
166
263.27
mp-1018033
8.226158
11.30215
-0.737326
other
Ag1Rh1O2
4
166
53.34
mp-1215432
-3.964577
-4.274915
-3.572325
other
Yb1Tm1Se2
4
166
95.82
mp-1227409
-7.453464
-4.190009
1.040762
other
Bi1As1Pd6
8
166
135.32
mp-756034
9.684
8.445379
3.051765
other
Na1Sm1O2
4
166
60.7
mp-12527
-5.59492
-2.196222
-1.40781
other
Ti2Te2P1
5
166
114.76
mp-18718
6.010806
12.503386
-1.339954
other
Ca2Ni8O16
26
166
308.77
mp-999472
-4.222438
-4.096202
-3.778649
other
Na1La1Se2
4
166
113.86
mp-7240
9.959722
11.674929
0.263553
other
Na1Ru1O2
4
166
44.87
mp-867719
8.875372
13.081665
-1.102175
other
Fe2Pt2O4
8
166
95.85
mp-1226352
-6.687705
-0.514275
3.43433
other
Cr2Ir2C1
5
166
56.7
mp-7748
12.50465
7.608109
0.406415
other
Na1Al1O2
4
166
39.05
mp-755082
11.873854
7.122721
-3.684375
other
Sr3As2O8
13
166
181.74
mp-1216529
-6.266006
-4.258009
0.138022
other
Tm2Sb1Te1
4
166
113.41
mp-1401700
-5.431246
-0.5745
-4.278175
other
Zn1Co4S8
13
166
215.71
mp-1218987
-5.888764
-3.597656
-2.016119
other
Sn3Bi1Te4
8
166
265.14
mp-1245646
0.442973
2.616197
1.803679
other
Co2Ni1N2
5
166
49.57
mp-1216930
11.123641
12.632312
-0.585664
other
Ti1Fe5O8
14
166
159.03
mp-16052
-5.295609
-4.347
0.806238
other
Ba1Cu4As2
7
166
127.72
mp-618324
-7.798454
0.388105
3.933698
other
Zr3Co9B6
18
166
180.81
mp-690551
12.757828
11.897651
-0.536981
other
Li4Mo3O8
15
166
164.03
mp-1186162
-6.154456
-2.822258
-2.346378
other
Na1Cu3Te2
6
166
123.37
mp-1104274
-4.142265
1.691286
3.174522
other
Sm4Fe3B6
13
166
185.14
mp-1077903
-5.0123
-2.926486
-2.96583
other
Tl2Pd3Se2
7
166
149.49
mp-10785
-4.40854
-3.981441
-3.731497
other
Rb1Lu1Se2
4
166
117.4
mp-10618
-4.809608
-2.930066
-3.961679
other
Li1In1Se2
4
166
88.7
mp-1104491
-4.144354
1.683449
3.171431
other
Nd4Fe3B6
13
166
188.81
mp-999491
-4.086575
-4.075335
-3.518882
other
Na1Ce1Se2
4
166
110.73
mp-754633
8.885223
12.757335
-0.809458
other
Zn4Co4O8
16
166
160.42