mp_ID
stringlengths
4
10
x
float64
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17.7
y
float64
-12.01
23.9
z
float64
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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-1205000
-7.947007
-7.210805
3.873475
other
Nd22Cd90
112
216
2,691.63
mp-1007770
-4.968705
-5.514132
0.491293
other
Tl1As1
2
216
64.31
mp-1059612
1.883781
2.834763
0.430426
other
Li1N1
2
216
25.56
mp-22913
-0.39951
1.561795
-4.580785
other
Cu1Br1
2
216
45.25
mp-2624
-5.281922
-5.739391
0.58304
original
Al1Sb1
2
216
59.15
mp-1008726
-5.3692
-3.084486
3.789555
other
Ti2Ga1
3
216
60.48
mp-569673
-1.146457
1.210477
-1.512185
other
Pr4I8
12
216
497.47
mp-760381
-4.856837
-1.411562
-5.629521
other
Cu1S1
2
216
34.35
mp-1009753
-5.032059
-6.034636
3.001554
other
Sc1Ge1
2
216
60.36
mp-1700
2.375065
2.051861
1.874688
other
Al1N1
2
216
20.83
mp-1094183
-5.591876
-6.173606
4.513479
other
Hf1Mg1
2
216
70.61
mp-1009766
1.429665
2.220721
-0.531581
other
Ag1N1
2
216
30.32
mp-1006882
-4.405207
-5.626185
2.470452
other
Cd1C1
2
216
34.88
mp-1009491
-5.602665
-3.755607
-1.754967
other
Rb1Te1
2
216
148.35
mp-1215027
-7.277808
-3.889939
5.343979
other
Al84Pt20
104
216
1,689.75
mp-30603
-9.51239
-4.710203
4.135612
other
Zr1Cu5
6
216
79.41
mp-1080388
-7.87403
-3.2136
2.554013
other
Pu1Pt5
6
216
105.15
mp-1018126
-5.967321
-5.744339
0.577138
other
Ga1Bi1
2
216
64.48
mp-574275
-6.366285
-6.980363
3.10236
other
Li85Pb20
105
216
1,984.47
mp-568920
-8.578936
-6.206341
2.241256
other
Ca1Au5
6
216
118.62
mp-22408
8.189385
12.461922
-1.349009
other
Co2O2
4
216
45.65
mp-1199872
-7.838469
-7.975259
2.777108
other
Pr22Hg90
112
216
2,828.51
mp-1229052
-6.450301
-2.720202
6.398668
other
Al41V4
45
216
735.79
mp-1224310
-5.413636
-5.532921
0.470513
other
Ge1Sb1
2
216
66.47
mp-1212554
-7.590093
-10.410663
5.211003
other
Mg87Pd12
99
216
2,066.94
mp-13031
-4.755541
-3.660991
-4.108186
other
Mg1Se1
2
216
52.34
mp-8222
7.200897
9.396511
-1.566373
other
Ag1O1
2
216
32.52
mp-1039025
-4.6349
-7.743497
2.111597
other
Mg1Cd1
2
216
73.43
mp-1001916
1.050434
1.509449
2.645221
other
Hf1N1
2
216
29.59
mp-8373
-3.498635
-3.765256
0.43905
other
Ge1P1
2
216
46.92
mp-1228138
11.118567
8.150514
-0.187544
other
Al5O8
13
216
127.5
mp-1008926
-6.452214
-2.808093
-1.62534
other
Cr1Te1
2
216
60.85
mp-1009540
-5.12277
-0.344103
3.139638
other
Os1C1
2
216
24.53
mp-1009218
-3.804778
0.418043
2.818668
other
Mo1C1
2
216
25.93
mp-2490
-3.436637
-3.911008
0.575663
other
Ga1P1
2
216
40.51
mp-567903
-2.235223
-8.52765
1.368465
other
Zn1Ni1
2
216
38.2
mp-1094391
-6.338455
-7.131588
5.262195
other
Y1Mg1
2
216
89.12
mp-31499
-7.849289
-10.120811
5.538998
other
Mg87Ir12
99
216
1,965.37
mp-8062
-1.155579
0.582366
2.356364
other
Si1C1
2
216
20.63
mp-569516
-8.605134
-1.540002
2.902749
other
Hf1Ni5
6
216
71.75
mp-1123
-3.838096
-1.472862
-5.701859
other
Hg1S1
2
216
52.38
mp-1204063
-6.347756
-6.738579
3.496388
other
Li88Ge20
108
216
1,678.53
mp-22895
-1.308671
2.509373
-3.242024
other
Cu4I4
8
216
217.82
mp-998894
-6.567415
-6.193379
5.756104
other
Y1C1
2
216
40.8
mp-1062072
-7.193635
-1.36196
5.361829
other
Y1Mn2
3
216
67.41
mp-13032
-3.771459
-1.784007
-5.723452
other
Mg1S1
2
216
45.48
mp-13174
0.724817
1.97761
1.726133
other
Pt1N1
2
216
27.33
mp-1204723
-7.833969
-7.242343
3.695352
other
Er22Cd90
112
216
2,556.82
mp-1219856
-2.695263
-2.678435
-5.668638
other
Pr5S8
13
216
426.23
mp-20411
2.122276
2.088594
1.236012
other
In1N1
2
216
31.35
mp-1224137
-4.041167
-1.316897
-5.720502
other
In5S8
13
216
310.79
mp-1077262
-9.60829
-4.731546
4.109396
other
Tb1Cu5
6
216
84.51
mp-1783
-5.478279
-0.815029
-4.764305
other
Mn1S1
2
216
30.27
mp-1002219
-5.398684
-6.236773
0.664195
other
Tl1Sb1
2
216
78.33
mp-1009770
0.536803
2.043795
1.858166
other
Ru1N1
2
216
23.77
mp-1219182
-3.832888
-4.691822
5.809802
other
Si1Ge1
2
216
42.58
mp-1018157
0.564028
2.256455
2.108148
other
Cr1N1
2
216
21.29
mp-1009894
-2.805726
-0.28687
2.889335
other
Zr1C1
2
216
33.28
mp-1007776
-3.315278
-4.344098
1.007371
other
Tl1P1
2
216
57.31
mp-29720
-4.500489
-5.552933
5.000465
other
Li84Si20
104
216
1,591.26
mp-820
-4.535684
-2.367824
-4.272415
other
Hg1Se1
2
216
59.37
mp-1009885
1.198843
1.566977
2.719828
other
Zr1N1
2
216
31.08
mp-1070625
7.799494
6.698319
-4.836131
other
S1O4
5
216
108.62
mp-542598
-4.54788
-5.57572
4.950323
other
Li88Si20
108
216
1,620.39
mp-1008558
1.442682
2.252252
0.563872
other
Au1N1
2
216
30.92
mp-1007778
1.557412
2.532524
0.592297
other
Tl1N1
2
216
36.63
mp-1009131
-5.230251
-4.246297
0.471236
other
Mn1As1
2
216
46.01
mp-2469
-4.225326
-1.491621
-5.643707
other
Cd1S1
2
216
50.98
mp-1204245
-7.928675
-7.217437
3.815024
other
Pr22Cd90
112
216
2,649.27
mp-422
-4.945083
-1.198254
-6.269711
other
Be1S1
2
216
28.88
mp-20012
-5.390998
-5.775867
0.443655
other
In1Sb1
2
216
72.96
mp-1038783
-5.393706
-7.289293
3.434379
other
Ca1Zn1
2
216
77.36
mp-1541
-5.059346
-2.757704
-3.988933
other
Be1Se1
2
216
34.51
mp-22914
0.970685
1.990479
-5.314868
other
Cu1Cl1
2
216
38.41
mp-1199736
-7.865959
-7.258791
3.720185
other
Y22Cd90
112
216
2,584.67
mp-1002184
-5.605798
-0.034663
3.484414
other
Tc1B1
2
216
26.53
mp-1009832
-3.059047
-0.126783
2.856623
other
Ta1C1
2
216
28.32
mp-22925
-1.236634
2.796528
-3.078849
other
Ag1I1
2
216
70.71
mp-1009538
-5.689224
-5.092276
2.216627
other
Pd1C1
2
216
26.35
mp-1009848
-4.810428
-0.108675
3.309191
other
Tc1C1
2
216
24.87
mp-1009813
-3.839406
-5.068118
5.347486
other
Si1Sn1
2
216
55.89
mp-1224769
-6.015267
-5.532274
3.516635
other
Ga1Ge1
2
216
48.67
mp-569273
-7.897963
-10.020035
5.532632
other
Mg88Ir14
102
216
1,984.75
mp-1009458
-3.339812
-0.507839
2.724166
other
Nb1C1
2
216
28.71
mp-1103613
-3.19217
1.579795
2.865703
other
Li1B11
12
216
85.63
mp-1201594
-7.852528
-8.028846
2.73309
other
Nd22Hg90
112
216
2,806.86
mp-30578
-9.650616
-4.725921
4.108075
other
Dy1Cu5
6
216
83.97
mp-622511
-6.09766
-3.457165
-2.069281
other
In18Te27
45
216
1,707.83
mp-13116
0.588168
2.738206
1.652128
other
Ni1N1
2
216
20.09
mp-1002164
-0.984649
0.436421
1.807205
other
Ge1C1
2
216
24.4
mp-1025010
-5.351197
-1.225091
4.703983
other
Be5Fe1
6
216
49.76
mp-1008875
-6.621823
-2.679534
0.749782
other
Mn2Sb1
3
216
54.21
mp-30579
-9.598741
-4.709808
4.077328
other
Er1Cu5
6
216
83.03
mp-2176
-6.157988
-3.29565
-2.367138
other
Zn3Te3
6
216
171.18
mp-580136
-9.573824
-4.73173
4.057799
other
Lu1Cu5
6
216
81.8
mp-1009222
-6.039505
-3.182134
-1.842061
other
Mn1Te1
2
216
64.92
mp-1215375
-3.921604
-0.909475
-4.279242
other
Zr5S8
13
216
297.08
mp-1001837
-4.595401
-1.871882
1.163515
other
Mo1P1
2
216
40.04
mp-1008921
1.786567
2.604507
0.578945
other
Cd1N1
2
216
34.07
mp-1009734
0.840703
2.377477
1.692843
other
Rh1N1
2
216
24.68