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-21005
-7.890281
-6.711689
5.789373
other
Gd1In1
2
221
54.86
mp-22266
-3.523944
1.783561
2.965545
other
Gd1B6
7
221
68.99
mp-1918
-7.875719
-1.344783
3.261844
other
Fe1Rh1
2
221
26.79
mp-2351
-8.075614
-3.145699
2.448593
other
Tm1Pt3
4
221
67.11
mp-1013547
-4.116887
-5.39013
1.035344
other
Ca3P2
5
221
149.72
mp-1186136
-6.213858
-6.285299
3.77986
other
Na1Ga3
4
221
78.15
mp-1183501
-5.445529
-7.229489
3.841261
other
Ca3Cd1
4
221
137.28
mp-985285
-7.176149
-7.381087
2.101894
other
Co1Hg3
4
221
78.87
mp-2249
-8.633429
-6.869529
5.331899
other
Ho1Zn1
2
221
43.92
mp-832
-9.020176
-5.855133
4.809412
other
Ho1Pd1
2
221
41.83
mp-1236
-8.218596
-6.897953
4.965549
other
Nd1Ag1
2
221
52.06
mp-12762
-3.545459
1.791965
2.963879
other
Pr1B6
7
221
71
mp-1009640
2.17167
1.561603
2.18561
other
Pr1N1
2
221
31.58
mp-2054
-8.262475
-7.67394
4.449637
other
Tb1Hg1
2
221
51.12
mp-1184826
-8.024521
-5.790123
2.855024
other
In3Pd1
4
221
88.85
mp-11226
-7.349346
-6.232493
6.579477
other
Tb3Al1
4
221
107.91
mp-1183999
-5.201557
-7.369039
3.76667
other
Cs1Yb3
4
221
207.69
mp-11575
-7.546086
-7.416758
5.583532
other
Y1Tl1
2
221
53.91
mp-1094904
-6.403126
-5.990171
5.603703
other
Ce3Mg1
4
221
111.61
mp-862959
-8.831078
-2.784136
3.593628
other
Pm1Rh3
4
221
67.52
mp-2757
-8.500828
-6.128023
2.238748
other
Cd1Au1
2
221
37.97
mp-1067129
6.728943
4.401702
-2.061224
other
V1C3
4
221
30.97
mp-1529
-9.090186
-5.248629
5.970205
other
Lu1Ir1
2
221
36.87
mp-1184319
-5.587361
-7.318457
4.306478
other
Eu3Zr1
4
221
143.41
mp-1184060
-7.678669
-6.476717
6.780853
original
Dy3Al1
4
221
106.31
mp-1059160
3.912694
3.564962
-3.387604
other
Br1N1
2
221
28.3
mp-11364
-7.814738
-3.934126
3.747568
other
Ti1Cu1
2
221
29.14
mp-1186495
-6.810869
-7.197397
7.144287
other
Pm3Er1
4
221
133.94
mp-973024
-6.534671
-6.540505
6.625639
other
La3Hf1
4
221
128.42
mp-1022721
-8.892928
-4.326555
4.383878
other
Al1Cu1
2
221
26.93
mp-570409
-6.99559
-4.552459
6.450673
other
Pr1Al3
4
221
84.05
mp-1183315
-4.773958
-7.387507
3.62102
other
Ba3Yb1
4
221
237.3
mp-265
-7.833718
-1.983707
3.806762
other
Ta1Ir3
4
221
59.56
mp-2819
-6.037402
-3.447253
-2.010059
other
In1Te1
2
221
58.52
mp-1094768
-5.584986
-3.968307
3.973856
other
Mg1Zr3
4
221
89.95
mp-1187624
-5.57658
-3.660619
2.856028
other
U3Cl1
4
221
76.52
mp-1185287
-6.400715
-7.958666
5.420474
other
Li1Ac3
4
221
160.8
mp-22901
-1.055279
2.711649
-2.554584
other
K1I1
2
221
79.02
mp-30746
-8.975826
-5.575186
6.153807
other
Y1Ir1
2
221
39.87
mp-11554
-7.797643
-3.932071
3.479634
other
Zr1Pt1
2
221
37.94
mp-1184214
-5.91395
-5.748191
3.405082
other
Ga3Se1
4
221
87.08
mp-978962
-6.374431
-7.227425
2.216987
other
Tl3Fe1
4
221
94.91
mp-1184480
-7.846916
-6.023948
2.907439
other
In3Cu1
4
221
90.08
mp-1018054
-7.977295
-2.863694
2.535656
other
Hf1Pt3
4
221
64.12
mp-1018021
-7.205284
-0.708487
3.753501
other
Nb1Co3
4
221
47.22
mp-976358
-7.327305
-6.545759
6.834965
other
Nd3Al1
4
221
116.31
mp-1183130
-6.948883
-4.826946
5.249717
other
Al3Ag1
4
221
67.99
mp-1187222
-5.044549
-7.57203
3.593172
other
Sr3Eu1
4
221
223.03
mp-31434
-5.29663
-4.924248
4.501339
other
Np3Al1
4
221
79.89
mp-979039
-6.60332
-5.974354
5.679285
other
Th3Au1
4
221
114.66
mp-11418
-7.780711
-4.641137
5.697022
other
Tb1Ga3
4
221
77.04
mp-1183738
-5.947859
-4.380248
1.054705
other
Ce1Sb3
4
221
108.78
mp-1186970
-7.712376
-5.42997
4.862657
other
Sc3Sn1
4
221
92.34
mp-1094857
-5.112911
-7.362476
3.861867
other
Ca3Mg1
4
221
147.94
mp-12107
-7.809704
-2.671989
2.564517
other
Ti1Pt3
4
221
60.45
mp-829
-8.283262
-4.381274
2.671582
other
Al1Pd1
2
221
28.39
mp-1009237
2.190466
1.585278
2.152994
other
Nd1N1
2
221
30.65
mp-2802
-7.330791
-2.353871
4.496325
other
Hf1Ru1
2
221
33.55
mp-1186019
-6.490012
-7.039929
2.579538
other
Mo1Pb3
4
221
108.95
mp-975524
-5.711517
-5.279556
3.150112
other
In1Ge3
4
221
84.7
mp-1184329
-5.603784
-7.347507
3.916732
other
Eu3Cr1
4
221
141.08
mp-973865
-6.668903
-3.817955
5.954987
other
Pa1Al3
4
221
78.68
mp-1008349
-8.465763
-0.086641
3.762497
other
Co3Ni1
4
221
42.75
mp-974631
-3.971461
-7.234701
2.478845
other
K3Tm1
4
221
224.12
mp-1184279
9.459846
3.55789
1.595101
other
Fe3F1
4
221
56.91
mp-998897
-6.4819
-5.380374
2.62946
other
Y1Sb1
2
221
55.08
mp-1188005
-4.771338
-3.257761
2.904155
other
Zr3S1
4
221
77.94
mp-542584
-5.985545
-7.358836
3.327306
other
Eu1Tl1
2
221
91.7
mp-1009016
-5.588027
-4.094229
0.743087
other
Lu1As1
2
221
43.22
mp-1009835
-3.716335
-0.34447
2.900288
other
Ta1C1
2
221
21.89
mp-1487
-8.017253
-1.911999
2.898008
other
Al1Ni1
2
221
23.39
mp-570891
-0.306562
1.428474
-4.40422
other
K1Br1
2
221
66.11
mp-726265
1.122843
2.227489
-5.427829
other
Ag1Cl1
2
221
40.49
mp-11370
-8.174211
-6.427581
5.643377
other
Er1In1
2
221
51.15
mp-19977
-8.034281
-6.076378
5.001095
other
Sm1In3
4
221
101.38
mp-1184848
-3.937743
-7.275807
2.135596
other
K3Mo1
4
221
203.69
mp-1184209
-8.022074
-4.135324
1.837034
other
Ga1Pd3
4
221
58.79
mp-572
-8.050102
-6.972594
5.557187
other
Sm1Cd1
2
221
54.84
mp-8039
9.123354
0.945388
1.069926
other
Al1F3
4
221
46.25
mp-12674
-8.345974
-4.940784
2.419259
other
Mn1Au1
2
221
33.01
mp-1013528
-4.410475
-6.15406
2.233461
other
Ba3N2
5
221
154.77
mp-1186425
-5.996108
-6.636414
2.177057
other
Pb3S1
4
221
113.39
mp-12593
-8.402888
-2.391901
3.900612
other
Sc1Ir3
4
221
60.59
mp-11286
-7.144267
-7.790565
3.033573
other
Ca1Hg1
2
221
52.93
mp-977585
-5.618354
-3.983729
3.687922
other
Zr3Tl1
4
221
89.55
mp-11259
-8.426507
-5.700879
2.848598
other
Ti1Au1
2
221
35.25
mp-1188008
-5.85462
-3.672319
3.863858
other
Zr3Ga1
4
221
81.91
mp-1185991
-7.5356
-6.767134
2.615628
other
Mn1Cd3
4
221
79.34
mp-1105655
6.310215
2.629315
-2.797334
other
C12N8
20
221
131.99
mp-971853
-7.778887
-5.764672
3.323181
other
Zn3B1
4
221
50.66
mp-1187638
-6.118761
-7.061012
1.944039
other
Tl3In1
4
221
118.58
mp-1007819
-6.31995
-0.370649
3.548263
other
Co1W1
2
221
27.14
mp-1013524
1.645632
1.707329
1.239892
other
Ca3N2
5
221
97.41
mp-570691
-5.617672
-3.102248
3.584066
other
Ti3Sn1
4
221
71.83
mp-2268
-8.43973
-6.697983
4.65637
other
Tb1Ag1
2
221
47.58
mp-1188060
-5.829308
-7.026357
4.465526
other
Yb3Np1
4
221
137.32
mp-1183732
-6.179587
-6.017438
6.032588
other
Ce1Th3
4
221
124.19
mp-11255
-8.913504
-6.372473
3.536949
other
Pr1Au1
2
221
51.62
mp-1187532
-6.239756
-6.927348
1.877117
other
Tl3Au1
4
221
106.18
mp-30360
-8.392377
-6.914773
3.090999
other
Tm1Ag3
4
221
83.21