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-12666
-5.23764
-1.463558
4.64191
other
Be12Pd1
13
139
110.62
mp-978508
-4.916094
-3.417821
6.031577
other
Si3Os1
4
139
54.45
mp-985299
-7.874892
-6.364688
1.900001
other
Ag3N1
4
139
62.59
mp-1187981
-5.669369
-7.206306
4.469895
other
Yb3Nb1
4
139
122.06
mp-1209233
-7.982725
-4.937137
5.113222
other
Sc22Ga20
42
139
828.68
mp-1187110
-4.995795
-7.516114
3.588705
other
Sr3Ca1
4
139
213.4
mp-1094735
-5.11209
-7.362779
3.861061
other
Ca3Mg1
4
139
147.82
mp-976742
-5.961427
-5.383936
5.25123
other
Mg1Pa3
4
139
96.36
mp-1186050
-5.877525
-7.333383
2.764778
other
Na3Hg1
4
139
110.76
mp-1183645
-7.646104
-6.241546
2.527367
other
Cd3Ir1
4
139
74.87
mp-11464
-7.486487
-7.444914
2.091112
original
Mg1Hg2
3
139
65.44
mp-1185096
-6.8613
-6.567075
6.375619
other
La3Sc1
4
139
134.07
mp-1183838
-6.254936
-6.205301
6.113302
other
Ce3Ho1
4
139
111.31
mp-1187637
8.037442
1.638829
-0.503206
other
Yb1F3
4
139
42.21
mp-1184729
-5.922422
-3.903592
4.038071
other
Hf3Co1
4
139
75.48
mp-1186590
-5.76296
-4.631457
3.438312
other
Pu3Sc1
4
139
92.17
mp-1008601
-8.102292
-6.789838
3.601692
other
Zr1Ag2
3
139
56.56
mp-17402
-5.703266
-5.402729
0.913927
other
Yb22Sb20
42
139
1,240.87
mp-1184142
-5.045642
-4.089751
3.757402
other
Dy1U3
4
139
91.77
mp-569535
-5.313067
-6.300071
1.243866
other
Ca4Bi2
6
139
200.21
mp-862798
-7.477132
-2.058608
2.735041
other
Pt3W1
4
139
60.99
mp-1183360
-4.781229
-6.766055
2.804075
other
Ba3Te1
4
139
192.23
mp-1203269
-7.487851
-6.08947
4.679051
other
Ho22Sn20
42
139
1,101.67
mp-1105500
-5.631479
-5.707155
3.569467
other
Ba4Ge12
16
139
406.15
mp-1186910
-6.279968
-6.485178
5.853738
other
Rb1Ce3
4
139
142.5
mp-974432
-5.655709
-0.894049
4.055163
other
Re3Sn1
4
139
64.97
mp-1187396
-6.087331
-1.003717
4.049409
other
Tc3Mo1
4
139
60.02
mp-2482
-0.926455
0.739722
0.767384
other
Ca1C2
3
139
47.92
mp-1184793
-5.144019
-4.922086
4.385457
other
Hf1Np3
4
139
87.08
mp-1225177
-6.640698
-0.176009
3.521959
other
Fe2Si1
3
139
32.34
mp-1062974
-8.538923
-5.173903
3.380711
other
Pr1Pd2
3
139
70.69
mp-1184034
-8.064754
-1.609666
2.558292
other
Ga1Ni3
4
139
44.23
mp-1183854
-6.677778
-7.189743
7.135511
other
Ce1Pm3
4
139
137.56
mp-1104899
-7.741165
1.060896
4.929131
other
Sm1Fe12
13
139
168.99
mp-972722
-5.008181
-4.495321
0.338007
other
Sm1As3
4
139
86.58
mp-20656
-7.333819
-1.037716
4.467978
other
Dy1Mn12
13
139
205.57
mp-1217157
12.853035
10.199849
1.946704
other
Ti3O4
7
139
69.81
mp-1186368
-7.675793
-3.350696
2.111015
other
P1Pt3
4
139
62.09
mp-1185611
-7.523932
-6.518833
6.94041
other
Lu3Pu1
4
139
101.77
mp-1183752
-8.352689
-0.471415
3.800814
other
Co3Cu1
4
139
44.52
mp-1007664
-8.018611
-4.196905
1.887293
other
In1Pd3
4
139
64.2
mp-1206780
-5.193978
-2.805696
2.597172
other
Ti4Sb2
6
139
113.27
mp-1186856
-5.579845
-4.677272
3.333881
other
Pu3Np1
4
139
91.42
mp-266
-6.149497
-3.708183
3.764966
other
Zr2Pd1
3
139
60.14
mp-1183215
-7.380615
-6.641087
2.642318
other
Al1Cd3
4
139
85.96
mp-1018153
-8.841953
-5.940381
2.743076
other
Hf1Au2
3
139
54.77
mp-1185204
-6.254492
-6.499024
3.425126
other
Li3Ni1
4
139
54.98
mp-1186450
-7.996694
-2.720268
2.598288
other
Pd1Pt3
4
139
60.91
mp-1184132
-6.74578
-6.207584
1.943393
other
Cu1Sn3
4
139
97.75
mp-985301
-7.118272
-7.040217
7.162073
other
Ac1Dy3
4
139
138.9
mp-1186870
-3.784551
-7.296383
2.220819
other
Rb3Ta1
4
139
214.13
mp-2705
-7.773389
-2.281733
2.764889
other
V1Pt3
4
139
59.1
mp-1094784
-7.91083
-6.858442
3.751785
other
Ca1Zn3
4
139
76.86
mp-1185150
-6.691778
-6.674451
6.778348
other
La3Nd1
4
139
147.29
mp-1185904
-5.663931
-2.826021
3.54229
other
Mg1Nb3
4
139
73.57
mp-1187849
-7.154711
-6.826705
7.169299
other
Y1Ho3
4
139
126.2
mp-1077018
-6.242522
-5.261927
2.61379
other
Sm4Sb2
6
139
177.6
mp-1095016
-6.368512
-10.400123
5.814808
other
Ca1Mg2
3
139
84.15
mp-1183091
-6.168968
-8.010536
5.755805
other
Ac3Er1
4
139
166.64
mp-13498
-7.270672
-6.736972
6.666831
other
Tb2Mg1
3
139
88.02
mp-1184925
-3.985977
-7.341006
2.118732
other
K3Cr1
4
139
202.11
mp-30852
-7.894386
-2.721379
2.635906
other
Ti1Pt8
9
139
136.71
mp-13155
-5.883972
-3.872199
3.981563
other
Hf2Ag1
3
139
60.99
mp-977155
-7.162543
0.293917
4.375587
other
Np1Fe3
4
139
51.13
mp-976418
-7.084961
-6.911124
7.33999
other
Nd3Ho1
4
139
136.94
mp-1183365
-4.732184
-7.284153
3.751102
other
Ba3Pm1
4
139
210.82
mp-2697
7.538355
5.647394
-3.024901
other
Sr1O2
3
139
41.98
mp-1183307
-6.170567
-7.605309
5.670047
other
Ac3Ce1
4
139
146.96
mp-976768
-6.483902
-10.848092
5.63799
other
Na1Mg3
4
139
101.32
mp-1184745
-6.389223
-5.484151
1.189851
other
Ho1Bi3
4
139
120.44
mp-2120
-8.584937
-7.012729
3.58203
other
Ho1Ag2
3
139
62.48
mp-1094567
-7.001845
-11.066166
5.538365
other
Li1Mg3
4
139
87.68
mp-12761
-8.57462
-5.980269
2.206414
other
Be1Au2
3
139
43.02
mp-1187239
-6.920239
-6.896657
6.594617
other
Sr1Gd3
4
139
145.42
mp-11567
-9.483138
-5.761761
3.847673
other
Sc1Zn12
13
139
191.54
mp-873
-8.442756
-4.023074
2.222923
other
V1Pd3
4
139
58.1
mp-1186708
-7.068275
-6.932449
7.438592
other
Pr3Dy1
4
139
140.63
mp-1187753
-6.46634
-1.149978
3.873414
other
V3Cu1
4
139
51.81
mp-1196279
-7.130889
-3.821646
5.248905
other
Sc22Ge20
42
139
811.62
mp-1590
-5.273837
-1.285304
4.68376
other
Be12Cr1
13
139
107.99
mp-975253
-7.008191
-6.846347
7.066435
other
Rb1Pr3
4
139
163.07
mp-11454
-6.249754
-3.831084
4.008515
other
Hf2Pd1
3
139
57.45
mp-1187831
-5.576583
-7.330556
4.030801
other
Yb1Eu3
4
139
170.88
mp-1183787
-7.0078
-6.530262
6.534498
other
Ce1Er3
4
139
123.89
mp-1183824
-6.094036
-6.078345
5.979441
other
Ce3Th1
4
139
110.36
mp-2554
-6.542952
-1.940987
5.921001
other
Al3V1
4
139
57.66
mp-1185063
-6.546398
-7.160539
6.875174
other
K1Pm3
4
139
152.42
mp-972517
-6.904394
-6.815892
7.167778
other
Sm1Y3
4
139
133.36
mp-982367
-6.630064
-6.853921
6.74804
other
Pm3Zr1
4
139
123.68
mp-1187149
-4.89178
-7.320259
3.810854
other
Sr3Sc1
4
139
179.06
mp-1187227
-5.419368
-2.787066
3.555312
other
Ta3Cu1
4
139
67.77
mp-1008806
-4.294709
-0.111852
3.079193
other
Re1C2
3
139
26.05
mp-1094476
-9.007062
-6.335971
3.423794
other
Mg1Zn3
4
139
65.92
mp-13497
-7.346588
-7.025834
6.509163
other
Er2Mg1
3
139
84.75
mp-571505
-5.705176
-6.911347
2.594329
other
Rb4In6
10
139
381.04
mp-972486
-7.019022
-6.678264
7.198502
other
Sm3Ti1
4
139
116.45
mp-975641
-7.537467
-6.860933
7.01048
other
Pr3Cd1
4
139
124.79
mp-1181437
10.067422
10.397576
-0.333434
other
Fe1O1
2
139
98.24
mp-1187350
-7.165823
-6.773763
7.115537
other
Tb1Ho3
4
139
125.11
mp-323
8.58978
1.485429
2.045205
other
La1F3
4
139
50.26