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-1004377
-3.405975
1.595518
2.957793
other
Hf1B6
7
221
65.75
mp-11536
-8.422329
-2.765982
3.810229
other
Np1Rh3
4
221
64.64
mp-1183834
-7.053904
-6.740279
7.00044
other
Ce1Ho3
4
221
126.69
mp-571491
-3.518078
1.737357
2.974045
other
Ho1B6
7
221
67.88
mp-1184210
-7.692252
-4.447347
3.903531
other
Ga3Pt1
4
221
67.27
mp-601842
-7.930204
0.218074
3.626812
other
Fe9Co7
16
221
182.58
mp-481
-8.065557
-2.982455
2.580423
original
Sc1Pt3
4
221
63.25
mp-2093
-7.297813
-6.619676
6.98178
other
Pr3Al1
4
221
119.64
mp-1186259
-7.167026
-6.541201
6.662064
other
Nd3Br1
4
221
123.29
mp-20695
-5.793801
-3.69265
3.852597
other
Zr3In1
4
221
89.13
mp-2001
-7.192766
-7.424929
4.569946
other
La1Tl3
4
221
114.93
mp-1486
-8.403402
-1.864517
2.749047
other
Zn1Ni1
2
221
24.12
mp-979412
-5.884498
-6.129915
6.057623
other
Th3B1
4
221
101.25
mp-1186037
-5.077064
-7.362825
3.031067
other
Na3Fe1
4
221
109.89
mp-984713
-7.932308
-6.512738
6.517127
other
Dy3Ga1
4
221
105.2
mp-1183968
0.060906
1.821102
-4.682062
other
Cu3Cl1
4
221
57.04
mp-1094670
-7.034198
-11.060801
5.600538
other
Li1Mg3
4
221
85.83
mp-1183295
-4.525311
-6.472013
1.850013
other
Ba3Sb1
4
221
173.03
mp-12598
-8.061647
-3.379704
2.49668
other
Pr1Pt3
4
221
73.98
mp-1184834
-3.913685
-6.995354
2.027943
other
K3Ga1
4
221
187.51
mp-977212
-6.93634
-1.016534
4.649989
other
Np1Mn3
4
221
51.59
mp-1625
-5.793757
-5.764816
0.807555
other
Sn1Sb1
2
221
55.02
mp-1183994
-4.670923
-7.514715
3.120262
other
Cs1Sr3
4
221
254.88
mp-1185080
-4.034897
-7.043682
1.619869
other
K1Rb3
4
221
364.22
mp-1214819
4.365399
2.454258
-3.001543
other
Al1C6
7
221
153.27
mp-1187312
-5.171843
-4.386043
0.505246
other
Tb1As3
4
221
83.88
mp-1204208
-7.708423
-6.99155
3.007512
other
Th3Cd33
36
221
810.47
mp-20379
-6.437503
-6.384082
6.611593
other
Dy1Th1
2
221
64.37
mp-1187173
-4.726282
-7.321392
4.085676
other
Sr3Pa1
4
221
179.55
mp-1007852
-8.073961
0.038132
3.645595
other
Fe1Co3
4
221
44.2
mp-20176
-6.568932
-6.604947
3.208992
other
Dy1Pb3
4
221
113.99
mp-2449
-7.841538
-2.352823
3.573231
other
Nb1Rh3
4
221
58.36
mp-1183558
-5.55308
-7.460223
4.238911
other
Ca1Yb3
4
221
164.71
mp-1187908
-5.205853
-4.480211
0.614865
other
Yb1As3
4
221
82.01
mp-608
-7.519964
-0.748289
3.813118
other
Ti1Co3
4
221
46.14
mp-1021666
-3.997408
-4.67171
6.335289
other
Al1Si1
2
221
31.31
mp-1184404
-5.158709
-4.156021
3.648148
other
Eu1U3
4
221
90.59
mp-1183170
-6.237643
-5.647403
0.577823
other
Al1Bi3
4
221
116.74
mp-291
-6.770165
-1.69085
4.249735
original
Ti1Os1
2
221
29.35
mp-1187207
-6.927981
-6.954728
7.063325
other
Sr1Pr3
4
221
154.23
mp-861982
-7.614359
-4.569954
5.137848
original
Pa1Ga3
4
221
77.99
mp-979009
-6.117832
-6.035139
6.02868
other
Th3Be1
4
221
109.28
mp-1259
-6.732265
-4.750529
5.770391
other
Yb1Al3
4
221
79.07
mp-1039148
-5.92823
-9.745919
5.194621
other
Ca1Mg1
2
221
62.39
mp-1261
-6.790643
-7.012791
4.009921
other
Eu1Zn1
2
221
52.36
mp-2658
-6.843472
0.014816
4.59047
other
Al1Fe1
2
221
23.04
mp-615
-7.878907
-8.907826
6.997099
other
Y1Mg1
2
221
55.24
mp-10148
-5.806878
-5.69818
0.767104
other
In1Sb1
2
221
55.2
mp-1094786
-4.904982
-7.487017
3.566575
other
Sr3Mg1
4
221
180.38
mp-569120
-8.06596
-3.383507
2.45836
other
Nd1Pt3
4
221
72.96
mp-30351
-8.005003
-6.765348
2.145673
other
Mg1Ag3
4
221
69.85
mp-2639
2.055871
1.827508
0.382772
other
Na3N1
4
221
106.9
mp-1064282
-0.79526
0.548254
0.680999
other
In1C3
4
221
44.18
mp-20885
-6.77127
0.209684
3.909419
other
Fe4P1
5
221
70.77
mp-1008630
-4.70846
0.057708
3.10885
other
W1C1
2
221
20.42
mp-1902
-8.14566
-3.310443
2.447413
other
Mn1Pd1
2
221
30.08
mp-12083
-7.552418
-1.435171
3.650581
other
Cr1Ir3
4
221
55.49
mp-1185666
-9.157682
-5.311871
3.884089
other
Na1Cu3
4
221
56
mp-10871
-8.404228
-5.579081
2.961012
other
Al1Au1
2
221
33.51
mp-1002105
0.085607
2.163702
2.419251
other
V1N1
2
221
16.54
mp-1038879
-5.285881
-7.353695
3.854236
other
Ca3Zn1
4
221
131.06
mp-1009836
1.225734
1.437067
2.852434
other
Zr1N1
2
221
23.24
mp-862861
-5.853472
-5.383858
5.296211
other
Pa3Si1
4
221
87.64
mp-974951
-4.096424
-7.058125
1.448763
other
Rb3Hg1
4
221
253.66
mp-21087
-5.139926
-3.517623
0.663423
other
U1As1
2
221
43.1
mp-30741
-8.643473
-2.504492
3.988481
other
Pa1Ir3
4
221
67.39
mp-980946
-4.855281
-7.489368
3.78154
other
Sr3Cr1
4
221
169.64
mp-978294
-7.053076
-10.744376
4.461053
other
Mg3Sn1
4
221
87.88
mp-1184479
-7.665835
-6.762619
6.426923
other
Gd3In1
4
221
116.94
mp-1187484
-6.173078
-5.851582
0.754019
other
Tl1Bi3
4
221
127.65
mp-2781
-8.608689
-4.913841
3.87617
other
Sc1Pd1
2
221
35.92
mp-1002122
-7.59781
-3.265889
4.352462
other
Hf1Ir1
2
221
34.71
mp-971720
-6.317586
-5.541986
3.721477
other
Zn1Ga3
4
221
67.46
mp-1039106
-6.634333
-5.883559
1.245451
other
Sn1Bi1
2
221
60.31
mp-1185
-7.79651
-1.641738
3.558462
other
V1Rh3
4
221
54
mp-1335
-6.892641
-0.098699
3.7863
other
V1Fe1
2
221
25.4
mp-2163
-8.944243
-5.324274
5.97276
original
Ho1Rh1
2
221
38.84
mp-1094922
-6.571324
-10.534081
5.954111
other
Ca1Mg3
4
221
107.44
mp-976147
-7.156371
-6.674345
6.942202
other
Pr1Er3
4
221
128.4
mp-1186323
-7.109177
-6.916573
7.373909
other
Nd1Sm3
4
221
136.71
mp-974060
-7.244653
-6.938251
7.113944
other
Li1Dy3
4
221
116.21
mp-2222
-7.248167
-6.314746
2.478772
other
Mn1Hg1
2
221
36.96
mp-974827
-6.976936
-7.004145
7.132638
other
K1Pr3
4
221
159.03
mp-1186363
-5.395317
-3.504035
3.859908
other
Np1Ti3
4
221
72.97
mp-20425
-4.89089
-4.095977
5.842573
other
Np1Si3
4
221
64.74
mp-2468
-8.247735
-7.702155
4.644986
other
Er1Hg1
2
221
49.02
mp-971857
-7.925792
-5.86821
3.144375
other
Zn3C1
4
221
50.94
mp-20729
-7.946452
-6.032186
4.890769
other
La1In3
4
221
108.81
mp-978281
-7.279175
-10.789935
5.117405
other
Mg3Ga1
4
221
79.77
mp-30856
-8.080125
-2.890602
2.715207
other
Zn1Pt3
4
221
59.25
mp-1184332
-5.532352
-7.463067
4.279804
other
Eu3Ti1
4
221
137.97
mp-11494
-6.59607
-6.592621
3.173996
other
Lu1Pb3
4
221
112.39
mp-1187303
-6.928643
-5.948025
5.8743
other
Tb3Se1
4
221
103.31
mp-1183737
-6.252044
-6.226893
6.191659
other
Ce3Dy1
4
221
115.04
mp-10652
-5.676855
-4.118465
-1.082264
other
Sm1Te1
2
221
56.85
mp-1183775
-6.13298
-6.185833
6.046622
other
Ce3Hf1
4
221
105.74
mp-2474
-8.38777
-6.882764
4.543906
other
Y1Ag1
2
221
47.64
mp-1057486
-3.774389
-2.050611
-5.006669
other
Cs1S1
2
221
75.71
mp-1187137
-5.503868
-7.239526
3.448198
other
Sr3Pb1
4
221
158.42
mp-1183334
-4.786994
-7.280877
3.675811
other
Ba3La1
4
221
218.58