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-972912
-6.738169
-6.574751
6.564602
other
La3Er1
4
139
141.9
mp-1183095
-6.209234
-7.830403
5.902087
other
Ac3La1
4
139
176.16
mp-1186445
-7.246092
-3.892923
0.612513
other
Pd3I1
4
139
71.46
mp-975015
-4.002338
-6.896768
1.764452
other
Rb3Ga1
4
139
221.47
mp-972908
-6.681719
-6.620288
6.737854
original
La3Dy1
4
139
143.43
mp-1184001
-9.326053
-4.567528
3.803598
other
Ga1Cu3
4
139
48.57
mp-11241
-9.167494
-6.35675
2.789056
other
Dy1Au2
3
139
62.24
mp-975404
-4.665407
-7.373979
3.471056
other
Rb1Ca3
4
139
198.53
mp-971831
-6.960446
-6.65108
7.042758
other
Tm3Th1
4
139
123.45
mp-9994
-6.919925
-4.441886
5.531256
other
Ho22Ge20
42
139
955.37
mp-1018178
-4.993403
-7.036179
3.272325
other
Ba2Zn1
3
139
131.23
mp-571030
-8.262662
-4.658454
1.839984
other
Tl1Pd3
4
139
66.35
mp-1834
-6.641845
-4.856893
6.059606
other
Nd1Al4
5
139
102.36
mp-985280
-7.540084
-2.007358
2.544146
other
Co3Bi1
4
139
56.14
mp-1018105
-5.76684
-3.827856
3.816336
other
Zr2Zn1
3
139
61.27
mp-971779
-8.161529
-2.330258
3.469836
other
Zn1Rh3
4
139
54.59
mp-1185067
-3.963314
-7.244251
1.995447
other
K3Co1
4
139
185.99
mp-1187719
-6.47521
-1.555645
3.828873
other
V3Ag1
4
139
59.25
mp-1184395
-5.616607
-7.289271
4.352958
other
Eu3Zr1
4
139
137.46
mp-976407
-5.889681
-7.194731
3.631886
other
Li3Ac1
4
139
112.54
mp-973974
-3.935138
-7.284462
2.158845
other
K3Mo1
4
139
195.4
mp-1187141
-4.745116
-7.216909
3.986311
other
Sr3Ta1
4
139
154.94
mp-865362
-9.269423
-4.339488
3.283256
other
Zn3Ir1
4
139
54.55
mp-1441
6.745709
6.038765
-3.73475
other
Cs1O2
3
139
69.12
mp-982871
-5.441388
-6.894452
2.81267
other
Na3Pt1
4
139
88.18
mp-1187756
-5.263721
-3.697124
3.658823
other
U3Zn1
4
139
78.44
mp-1009071
-4.190162
-0.086316
2.588085
other
Ir1C2
3
139
31.73
mp-1187256
-5.549857
-3.204953
3.873348
other
Ta1Ti3
4
139
70.22
mp-30614
-9.48089
-5.857088
3.99973
other
Er1Zn12
13
139
194.91
mp-973092
-9.480859
-4.650309
4.274147
other
Sc1Cu3
4
139
55.63
mp-23194
-0.993493
1.086323
-1.495808
other
La1I2
3
139
113.32
mp-1183868
-6.241041
-6.104046
5.966438
other
Ce3Cr1
4
139
87.55
mp-971775
-6.168272
-6.886397
2.40115
other
Zn1Pb3
4
139
113.9
mp-1207826
-6.854352
-4.645389
5.655477
other
Y22Ge20
42
139
992.34
mp-582799
-6.140099
-5.240465
5.554645
other
Eu1Al4
5
139
105.2
mp-2348
-6.022034
-3.696311
3.973223
other
Zr2Au1
3
139
63.45
mp-1185266
-9.00935
-1.208228
2.796689
other
Li1Ni3
4
139
41.96
mp-978832
-7.633091
-6.725154
6.927568
other
Sm3Pd1
4
139
109.66
mp-1079997
-7.881738
-2.519997
2.713984
other
V1Pt8
9
139
135.05
mp-1205768
-7.998361
-2.847036
2.631478
other
Zr1Pt8
9
139
141.8
mp-1185112
-6.6411
-6.738627
6.72525
other
La3Pm1
4
139
146.56
mp-974745
-3.869587
-7.079108
2.083351
other
Rb3Tm1
4
139
261.42
mp-1183303
8.281984
1.37111
-0.291281
other
Ba1F3
4
139
61.61
mp-31221
-7.28458
-0.755225
4.440245
other
Th1Mn12
13
139
165.87
mp-1094171
-6.964251
-6.512863
6.297997
other
La3Mg1
4
139
133.51
mp-1183597
-7.028701
-6.856604
6.769642
other
Ca1Ho3
4
139
131.19
mp-1891
-6.602363
-4.906865
5.99439
other
Sm1Al4
5
139
102.31
mp-1185336
-5.751591
-5.53844
3.405321
other
Li1Ge3
4
139
72.47
mp-980060
-8.49473
-7.001406
3.174496
other
Tb1Ag3
4
139
80.75
mp-1187554
-6.028555
-6.818214
1.850052
other
Tl3Ge1
4
139
112.95
mp-1088
-7.061769
-5.445239
4.372818
other
Yb1Ga4
5
139
100.99
mp-1183424
-4.650836
-1.552529
4.231423
other
Be3Ge1
4
139
42.68
mp-1183647
-7.955924
-6.646948
2.075688
other
Cd1Ag3
4
139
72.02
mp-976410
-7.239463
-6.879642
7.268271
other
Nd3Cr1
4
139
119.64
mp-978272
-7.217214
-11.538978
5.170768
other
Mg3Br1
4
139
101.78
mp-1094220
-5.734146
-4.052487
4.140832
other
Hf3Mg1
4
139
87.44
mp-1186706
-7.295087
-6.946947
7.406959
other
Pr3Cr1
4
139
123.35
mp-1187474
-5.666557
-2.982971
3.736934
other
Ti3Zn1
4
139
64.63
mp-1186041
-6.58961
-5.926911
1.943134
other
Mn1Sn3
4
139
98.14
mp-1187142
-4.916961
-7.251701
4.054404
other
Sr3Ti1
4
139
167.49
mp-1183096
-6.450984
-7.78818
4.921681
other
Ac3I1
4
139
168.58
mp-1184357
-7.964517
-7.015928
2.702755
other
Eu1Ag3
4
139
93.63
mp-1183108
-6.136179
-7.781583
5.748886
other
Ac3Ti1
4
139
146.63
mp-1218001
10.901459
11.905646
2.643851
other
Ta2O5
7
139
134.83
mp-1094089
-4.995983
-1.098092
-4.964604
other
Ni1S2
3
139
45.92
mp-1185862
8.44301
1.520637
-0.617952
other
Mg1F3
4
139
38.92
mp-1186512
-7.345156
-7.297434
6.761328
other
Pm3Hg1
4
139
118.27
mp-975887
-7.100372
-6.901824
7.358529
other
Pr1Nd3
4
139
143.03
mp-1186280
-6.973496
-6.708926
7.192525
other
Nd3Ti1
4
139
121.2
mp-1222990
-6.81974
-6.557243
6.400111
other
La4Mg1
5
139
173.19
mp-1104493
-9.473185
-5.916843
4.039696
other
Tb1Zn12
13
139
196.52
mp-1186163
-5.290169
-4.564941
4.380179
other
Np3As1
4
139
76.4
mp-1094061
-8.615576
-0.331033
4.111856
other
Sm1Co12
13
139
162.93
mp-972828
-8.54527
-4.245963
4.207062
other
Cu3Si1
4
139
46.32
mp-1183356
-4.650835
-7.357068
3.311182
other
Ba3Na1
4
139
235.59
mp-1105049
-5.58761
-0.936663
3.070581
other
Te2Mo12
14
139
258.09
mp-1184054
-8.904494
-1.288653
2.712381
other
Cu1Ni3
4
139
42.8
mp-1184287
-7.464222
0.631986
4.333624
other
Fe3H1
4
139
38.52
mp-1185797
-7.374506
-10.870938
4.547324
other
Mg3Te1
4
139
96.71
mp-1186085
-4.83661
-7.231604
3.394443
other
Na3Ta1
4
139
114.38
mp-1228793
-7.552479
-3.9831
1.438099
other
As1Pd4
5
139
78.7
mp-981210
-6.45139
-7.24771
2.168188
other
Tl3V1
4
139
101.94
mp-2466
-9.173863
-6.259714
2.851274
other
Er1Au2
3
139
60.74
mp-971960
-9.146723
-4.675474
3.465444
other
Zn3Os1
4
139
56.61
mp-1186737
-6.871142
-6.833653
7.316639
other
Pr3Th1
4
139
140.92
mp-1183746
-6.701922
-6.017643
5.334759
other
Ce3Hg1
4
139
111.06
mp-1183342
-4.646884
-7.321808
3.485917
other
Ba3Ca1
4
139
242.43
mp-1063174
-9.13768
-6.407292
2.780667
other
Gd1Au2
3
139
64.35
mp-974445
-5.432133
-0.908715
3.892845
other
Re3Ge1
4
139
59.96
mp-1183720
-6.648641
-6.251979
1.829293
other
Cd1Sn3
4
139
105.43
mp-974430
-5.778583
-0.778051
3.729989
other
Re3Ir1
4
139
58.53
mp-1187148
-4.948365
-7.139779
4.054913
other
Sr3Zr1
4
139
168.99
mp-1094961
-6.939113
-10.105362
5.538338
other
Mg3Al1
4
139
82.08
mp-977264
-7.181087
-7.192103
6.496978
other
Pm2Mg1
3
139
93.24
mp-1184133
-7.449762
-6.30636
6.169851
other
Dy3As1
4
139
103.77
mp-1185927
-8.359194
-4.328121
1.986634
other
Mg1Pd3
4
139
61.16
mp-10564
2.027717
2.054774
1.11456
other
Sr1N2
3
139
45.68
mp-1186165
-5.381787
-4.642801
4.489111
other
Np3P1
4
139
71.48
mp-980021
-6.021122
-7.173766
4.097757
other
Yb3Os1
4
139
91.58
mp-570197
-6.817845
-4.831122
0.332721
other
Bi2Pd1
3
139
75.97