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-1058490
-6.482439
-6.861143
3.79095
other
Eu1In1
2
123
61.93
mp-601848
-7.943384
0.294606
3.651219
other
Fe11Co5
16
123
182.68
mp-238
-8.160614
-3.329069
2.450579
original
Mn2Pd2
4
123
60.23
mp-20394
-6.411731
-7.153201
3.153974
other
Eu2Pb2
4
123
129.03
mp-1147672
9.218538
0.957763
-0.417327
other
Cu1F2
3
123
50.65
mp-2806
-6.931074
-6.382046
3.404182
other
Yb1Sn1
2
123
54.5
mp-1206986
-4.154062
-4.684285
-1.612076
other
Lu2Te3
5
123
3,224.46
mp-1207320
-3.083401
-8.1022
1.454842
other
Th2Bi3
5
123
4,429.59
mp-971631
-3.336304
-4.120035
0.630169
other
Ga1P1
2
123
34.55
mp-1187887
-6.903721
-6.032201
5.351248
other
Th1In1
2
123
57.14
mp-1179681
-3.630105
-1.840723
-5.221166
other
Rb1S1
2
123
58.24
mp-1224311
-5.338359
-5.403983
0.601308
other
Ge1Sb1
2
123
50.78
mp-894
-8.346179
-3.555189
2.700656
other
Zn2Pt2
4
123
56.8
mp-1208550
-5.701013
-3.769329
3.582511
other
Ta2Pd2
4
123
83.07
mp-1215236
-5.616315
-3.544913
3.928612
other
Zr1Ti1
2
123
40.65
mp-1065811
11.585894
9.212991
0.709417
other
Sn1O1
2
123
32.72
mp-1217469
-5.52809
-3.653681
-1.523899
other
Tb1Te2
3
123
114.09
mp-1017541
-7.477883
-3.31247
4.372657
other
Zr1Ir1
2
123
36.03
mp-29727
-5.401623
-1.872138
3.056385
other
Ta4O1
5
123
78.62
mp-1096892
6.173892
3.670666
-3.248813
other
C24N8
32
123
399.63
mp-1217081
-6.03614
-2.628719
4.952334
other
Ti3Al5
8
123
126.34
mp-510436
-8.128809
-4.190657
1.993709
other
In1Pd3
4
123
66.27
mp-1009814
-5.44537
-4.253242
0.619906
other
Sm1As1
2
123
47.55
mp-1207355
-2.708189
-6.965693
0.785684
other
U2As3
5
123
2,491.19
mp-1225309
-7.472453
-6.848927
6.984316
other
Dy3Mg1
4
123
118.06
mp-1228752
-9.351387
-4.446471
3.907037
other
Al4Cu15
19
123
240.36
mp-634965
12.800858
10.128492
2.243439
other
Nb1O1
2
123
33.18
mp-1219565
7.196043
8.171925
-2.150156
other
Rb1O2
3
123
100.33
mp-1009134
-7.114419
0.036202
4.060442
other
Mn1Fe1
2
123
21.06
mp-1215274
-8.08548
-5.466629
3.243581
other
Zr1Au1
2
123
39.26
mp-32652
0.044863
2.238542
2.349031
other
Mo3N2
5
123
70.58
mp-1058887
-4.504514
-5.77065
2.7748
other
Tl1C1
2
123
37.59
mp-1225154
-7.343291
-0.908671
2.91943
other
Fe3Sn1
4
123
57.24
mp-19819
-7.893177
-6.712931
5.79302
other
Gd1In1
2
123
54.68
mp-1207343
-3.130055
-6.835015
1.656381
other
Pa2P3
5
123
3,221.9
mp-554355
8.507468
1.026197
1.69661
other
Ca1F2
3
123
42.5
mp-1217358
-5.934068
-3.056695
-1.970066
other
Te3Au1
4
123
124.56
mp-2541
-7.62391
-7.430593
5.572081
other
Sm2Tl2
4
123
112.92
mp-1179682
-3.641355
-1.890183
-5.203055
other
Rb1S1
2
123
65.02
mp-1104838
-7.295192
-5.090211
4.87488
other
Gd2Ga12
14
125
266.62
mp-638038
13.773827
6.248109
-0.673768
other
Si8O16
24
125
400.04
mp-2374583
14.9008
5.905188
-0.021468
other
Si16O32
48
125
606.69
mp-711
-7.531639
-4.977811
4.911857
other
Ce2Ga12
14
125
275.66
mp-1104008
-7.506542
-4.999425
4.936298
other
Nd2Ga12
14
125
274.95
mp-1104534
-7.299788
-5.044621
4.831431
other
Dy2Ga12
14
125
262.09
mp-636291
-6.421326
-5.585611
3.971167
other
Pu2Ga12
14
125
267.02
mp-1104070
-7.539782
-4.966488
4.932937
other
Pr2Ga12
14
125
277.09
mp-560754
13.994895
6.146348
-0.5937
other
Si16O32
48
125
669.72
mp-1104639
-6.97213
-5.4046
4.351798
other
Yb2Ga12
14
125
278.57
mp-1103824
-7.168809
-5.119002
4.737307
other
Tm2Ga12
14
125
258.18
mp-1104451
-7.443483
-5.018288
4.918168
other
Sm2Ga12
14
125
269.29
mp-644739
-7.4778
-4.992812
4.903735
other
La2Ga12
14
125
282.73
mp-30681
-7.275585
-5.05821
4.812756
other
Y2Ga12
14
125
263.67
mp-1104458
-7.318604
-4.9837
4.805136
other
Tb2Ga12
14
125
263.39
mp-1103883
-7.261679
-4.957453
4.779915
other
Er2Ga12
14
125
259.19
mp-1103872
-7.252013
-4.989765
4.853015
other
Ho2Ga12
14
125
261.23
mp-21296
-6.925145
-6.36016
2.098346
other
Pt2Pb8
10
125
276.45
mp-600076
15.447871
5.718331
0.301104
other
Si40O80
120
126
2,133.79
mp-1202778
-7.361228
-6.910034
2.534331
other
K6Cd32
38
126
972.96
mp-1080372
-4.239929
-4.757155
-3.412315
other
Ce16Se32
48
126
2,335.8
mp-557017
14.347613
6.500202
-0.688281
other
Si16O32
48
126
656.9
mp-556564
13.308493
6.643423
-1.120891
other
Si16O32
48
126
625.47
mp-1203719
-2.281908
0.365548
2.437593
other
Er30C40
70
128
991.8
mp-15957
-2.47093
0.281863
2.489184
other
Sc30C38
68
128
829
mp-1202754
-2.2689
0.359713
2.497357
other
Ho30C40
70
128
1,011.71
mp-1213387
-2.417977
0.406545
2.528839
other
Dy30C40
70
128
1,043.64
mp-1104734
-0.422737
1.406708
-4.041111
other
Te2Br12
14
128
611.38
mp-1204458
-2.241914
0.333135
2.500686
other
Tm30C38
68
128
980.53
mp-15371
-1.45126
-0.041264
1.621431
other
Yb30C38
68
128
1,067.64
mp-1203650
-2.288327
0.342372
2.581094
other
Lu30C38
68
128
953.19
mp-28733
-2.434003
0.30178
2.450084
other
Sc30C40
70
128
850.2
mp-1200613
-2.383798
0.404089
2.533684
other
Y30C40
70
128
1,049.51
mp-1179450
10.142147
9.082873
0.060328
other
Sn12O16
28
128
553.54
mp-22827
-2.276944
0.337356
2.431411
other
Er30C38
68
128
999.64
mp-1205180
-2.24278
0.346896
2.495391
other
Tm30C40
70
128
987.39
mp-1203767
-2.303257
0.35385
2.572412
other
Lu30C40
70
128
943.36
mp-1199344
-1.398356
0.004783
1.589501
other
Yb30C40
70
128
1,098.71
mp-34150
15.298242
5.721299
0.042027
other
Si16O32
48
12
975.36
mp-754812
12.664614
7.486236
0.676836
other
Al4O6
10
12
109.42
mp-568404
-5.893443
-6.755343
3.935703
other
Li9Al4
13
12
214.51
mp-1073114
-2.15442
-5.801341
7.280549
other
Mg4Si6
10
12
192.67
mp-542634
-5.499575
-2.146953
-1.321692
other
Ta4Te6
10
12
277.22
mp-1191483
-5.60432
-2.457728
2.612989
other
Nb14As8
22
12
382.15
mp-753593
12.841636
10.09901
1.950891
other
Ti10O13
23
12
230.58
mp-766454
10.66005
12.488017
1.939316
original
Ti3O6
9
12
98.98
mp-1094583
-6.869144
-10.127415
3.260244
other
Mg4Sb2
6
12
145.23
mp-21405
-4.765669
-2.73087
-4.068531
other
In4Se4
8
12
228.47
mp-558336
10.047483
8.294171
3.288095
other
Ho6O9
15
12
201.39
mp-568746
-6.823033
-4.896626
0.397797
other
Bi4Pd2
6
12
153.68
mp-11329
-5.524189
-1.130631
2.067395
other
P4W2
6
12
88.22
mp-1967
-5.441792
-2.184552
-1.406807
other
Ta9Te18
27
12
754.87
mp-11690
-5.63364
-1.402418
1.886917
other
Tc4P6
10
12
143.21
mp-980663
-6.093633
-7.357711
4.555598
other
Yb4Mg2
6
12
206.97
mp-1077978
-4.744094
-1.544427
-2.966615
other
Ti3Se4
7
12
140.92
mp-1064814
-4.019517
-6.104944
2.672764
other
K2C2
4
12
117.7
mp-1094432
-8.548472
-7.06645
3.624114
other
Mg2Zn4
6
12
100.57
mp-571060
-8.049233
-3.755241
2.795969
other
In9Pt13
22
12
401.06
mp-1065583
-3.78981
-4.113754
-3.346382
other
La2Se2
4
12
304.76
mp-1185956
-7.464826
-5.779524
5.392625
other
Mg2Sc4
6
12
145.82
mp-1071152
-0.950794
1.262249
0.616403
other
Ca2C4
6
12
118.01