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-1207447
-4.300563
-3.386118
2.969021
other
Zr2Si1O2
5
123
116.42
mp-1400138
7.790302
10.858387
-3.151844
other
Y1Cr3O9
13
123
156.47
mp-1218397
-6.033092
-7.200176
3.550446
other
Sr5Zn1Cd4
10
123
321.59
mp-971707
10.406274
8.898552
2.93328
other
Tm2Mg2O5
9
123
105.44
mp-1207282
0.967836
1.574885
-3.504903
other
Sm2Br2O1
5
123
245.46
mp-1021848
-7.020154
-11.25918
6.121519
other
K1Mg6V1
8
123
203.6
mp-980056
7.198296
8.655933
-1.523976
other
Rb2Yb2O5
9
123
183.01
mp-1210005
-5.085007
-4.921319
3.903941
other
Np2Se2O1
5
123
130.15
mp-752562
9.604634
12.903173
-0.577027
other
Mn1Ni1O2
4
123
41.88
mp-1224540
-8.208561
-1.626554
2.676252
other
Hf1Ga3Ni12
16
123
182.9
mp-1018133
3.119295
-0.46426
-2.360918
other
Li1H1Pd1
3
123
30.16
mp-1222292
-4.317938
-4.218655
-3.870877
other
Li1Er1Se2
4
123
90.71
mp-1206256
-5.987969
-5.54704
3.576261
other
Th2Ge3Ir3
8
123
182.69
mp-1216625
8.848855
1.696942
0.826421
other
Ti1O1F2
4
123
57.62
mp-1207376
-4.960867
-4.899221
6.381972
other
Ho2Fe1Si2
5
123
104.95
mp-555014
9.094925
0.359411
0.837287
other
Rb2Mn1F5
8
123
149.17
mp-1216526
-3.606545
-1.782213
-5.215931
other
Tl1Sb1S2
4
123
99.04
mp-1216555
-5.097465
-3.601286
0.857207
other
U2As1P1
4
123
91.84
mp-570441
-8.029352
-4.151372
5.523518
other
Sm4Ga16Co3
23
123
404.55
mp-1225323
-8.375979
-6.763958
5.741293
other
Dy2In1Ag1
4
123
99.9
mp-1214249
-4.502453
-6.60767
3.215099
other
Ca2Be3Ge3
8
123
176.28
mp-1206301
-2.855102
-7.970104
1.328766
other
Sm2As3Au1
6
123
3,082.54
mp-1226161
0.160344
2.031552
-5.080731
other
Cs2Br1Cl1
4
123
160.81
mp-1025293
-7.256587
-3.972679
1.171923
other
In1As1Pd5
7
123
113.48
mp-1084778
-4.893796
-5.030661
0.192659
other
Cs1Zn4As3
8
123
186.01
mp-1209590
-4.715466
-6.160538
0.645989
other
Rb2Mn1Sb2
5
123
220.82
mp-971864
12.116836
9.040891
1.735386
other
U2Ga2O5
9
123
110.66
mp-1215836
-8.005566
-5.939241
3.258277
other
Yb2Ag1Pd1
4
123
90.74
mp-1184040
10.257266
9.185969
1.961625
other
Eu2Ga2O5
9
123
117.49
mp-1221215
-3.327808
1.676974
2.918319
other
Na3Th1B24
28
123
284.26
mp-1224733
-8.301961
-6.92092
5.573937
other
Gd2Zn1Ag1
4
123
94.57
mp-1222394
-6.011429
-3.605593
-2.091665
other
Li1Bi1Te2
4
123
122.05
mp-1215493
-8.495044
-2.275135
4.009703
other
Zr2B1Ir6
9
123
135.64
mp-722557
10.916821
11.475126
2.876451
other
Sr1Ta2O7
10
123
146.73
mp-1185764
12.454404
9.094564
0.386799
other
Mg2Ge2O5
9
123
94.78
mp-1227045
3.196914
-0.825695
-2.246725
other
Ca1H2Pd1
4
123
48.05
mp-1228788
-7.958544
-1.539073
2.207819
other
Al4Ni12C1
17
123
189.26
mp-1222281
-4.343162
-4.125483
-3.853955
other
Li1Sm1Se2
4
123
98.81
mp-1207741
6.826144
7.163393
-2.577063
other
Y2Cl1O2
5
123
330.23
mp-1022514
-6.845257
-10.529768
6.378076
other
Ba1Mg6Zr1
8
123
216.2
mp-1227262
-7.641272
-6.204642
4.7204
other
Ce2In1Ag1
4
123
109.04
mp-1228016
-3.215074
-2.092291
-5.36972
other
Ba1Eu1S2
4
123
122.31
mp-1216706
-4.531848
-3.411311
0.655835
other
U2P1S1
4
123
87.7
mp-1216732
0.489815
1.374234
2.834405
other
Ti1Nb1N2
4
123
41.7
mp-1222287
-4.305933
-4.214711
-3.855586
other
Li1Tb1Se2
4
123
94.15
mp-1218965
1.614333
1.463192
2.471147
other
Sm1U1N2
4
123
60.79
mp-27677
-4.785023
-1.682937
-5.719437
other
K1Cu4S3
8
123
138.13
mp-1206091
-2.918762
-8.278533
1.358537
other
Nd2Zn1Sb3
6
123
3,807.14
mp-1183429
13.108745
8.57232
-0.523955
other
Be2Si2O5
9
123
74.14
mp-1202727
1.384901
2.30719
0.741288
other
Cu22Pd2N8
32
123
428.33
mp-1184760
6.563947
9.155585
-0.924914
other
K2Bi2O5
9
123
164.8
mp-1048112
11.402476
12.012577
-1.325154
other
Ba2V3O8
13
123
183.43
mp-1209580
-4.820361
-6.296537
0.739165
other
Rb2Ca1Sb2
5
123
242.05
mp-1221798
-6.103563
-2.973695
-2.039792
other
Mn3Cd1Te4
8
123
206.91
mp-1016330
-8.132154
-11.374558
6.434127
other
Sr1Mg6W1
8
123
186
mp-1187759
8.877029
11.007683
1.456315
other
Y2Co2O5
9
123
96.25
mp-1187886
10.448618
8.895701
1.204324
other
Yb2Al2O5
9
123
97.51
mp-1400415
9.89977
11.047476
3.099082
other
Ba2Ti3O8
13
123
186.23
mp-1216652
-8.151872
-7.929152
3.315447
other
Ti1Zn1Hg2
4
123
75.69
mp-1246610
1.830367
2.169214
0.746801
other
K1In1N1
3
123
81.4
mp-1211065
-2.782036
-7.977012
1.373986
other
Mg2Cu1As2
5
123
3,102.22
mp-1095624
-7.973244
-4.333311
5.593848
other
Tb2Ga8Co1
11
123
194.81
mp-1224834
-7.998651
-1.531503
2.557774
other
Ga1Si1Ni6
8
123
85.8
mp-1220684
8.158724
1.545987
-0.290502
other
Na1Yb1F4
6
123
79.17
mp-1025355
-7.882068
-3.534444
5.059792
other
Zr1Ga5Co1
7
123
110.81
mp-1208256
0.04666
0.873146
-3.647492
other
Th2N1Cl2
5
123
199.92
mp-1227294
-7.078421
-0.851843
3.548753
other
Be1Co2Si1
4
123
38.67
mp-1206622
-5.10191
-4.770616
5.215888
other
Yb2Si3Pt3
8
123
157.02
mp-2828799
-6.809359
-10.613434
6.329639
other
Rb1Mg6Zr1
8
123
219.27
mp-1206571
-2.891192
-8.339577
1.328194
other
Sm2Zn1Sb3
6
123
5,136.93
mp-1215360
-6.931364
-3.228197
4.191676
other
Zr5Co4Ni1
10
123
166.61
mp-1188846
3.386319
-0.656751
-2.452617
other
Eu1Mg2H5
8
123
105.2
mp-36194
9.199567
9.920103
2.966392
other
Ba2Ti1O4
7
123
139.35
mp-1185464
12.316967
9.298102
1.834497
other
Lu2Ga2O5
9
123
101.79
mp-1077979
-7.120009
-3.508833
0.56839
other
In1Pd5Se1
7
123
116.25
mp-1224351
5.451004
3.277332
-3.901108
other
H1I1N2
4
123
95.59
mp-1072340
8.773934
8.74606
0.238684
other
K4N1O1
6
123
147.19
mp-20092
10.708562
11.285377
3.295821
other
Eu1Ta2O6
9
123
123.45
mp-866687
-8.05917
-4.232014
5.49548
other
Gd4Ga16Co3
23
123
397.61
mp-1048327
8.91111
1.849662
1.503937
other
Ca1Sn1F4
6
123
92.7
mp-1212290
-5.592735
-6.239845
0.710339
other
K2Mn1Bi2
5
123
251.37
mp-1226544
2.197039
1.696898
1.839124
other
Ce1Gd1N2
4
123
63.77
mp-1223179
-7.93032
-5.895302
4.813771
other
La1Ce1In6
8
123
213.25
mp-1216945
-8.139153
-3.877385
3.186466
other
Ti1In1Pt2
4
123
69.54
mp-1226507
-8.536759
-3.018528
3.570062
other
Ce1Pd1Rh2
4
123
69.35
mp-1225700
1.45358
2.200794
0.897379
other
Cu6Au1N2
9
123
118.98
mp-1227630
-6.108604
-7.275589
3.594367
other
Ca2Tl1Cd1
4
123
113.08
mp-1220857
6.957845
9.18513
-1.278547
other
Na1Tl1O2
4
123
53.94
mp-1227841
-3.501272
1.792964
2.954858
other
Ba1La1B12
14
123
149.23
mp-1065753
-7.294742
-0.009373
3.939514
other
Mn1Ga1Fe2
4
123
49.53
mp-1206948
-2.84022
-8.192169
1.387921
other
Ho2Cu1Sb3
6
123
4,286
mp-1217020
-6.891354
-0.107954
4.568019
other
Ti1Al1Fe2
4
123
49.47
mp-1228370
-3.44694
1.744591
2.939678
other
Ba2Sr1B18
21
123
230.85
mp-1215299
-8.108611
-3.948956
3.234648
other
Zr1In1Pt2
4
123
76.39
mp-1219894
-8.051761
-6.861522
5.460698
other
Pr2In1Ag1
4
123
112.7
mp-1215940
-2.147749
0.429298
2.420173
other
Y1Ho3C8
12
123
166.13
mp-1206934
-2.805841
-8.259453
1.382773
other
Dy2Ag1Sb3
6
123
3,606.77
mp-30315
2.038507
1.871127
1.431262
other
Ca3B1N3
7
123
102.72
mp-1221648
11.98335
12.136971
0.016609
other
Mn1Fe1O2
4
123
42.88
mp-1219854
-7.050328
-5.079881
3.378257
other
Pu1U1Sn6
8
123
196.98