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-672385
-6.797015
-4.282868
3.531863
other
U1Ni1Sn1
3
216
74.6
mp-631310
-6.769989
-1.403952
3.546436
other
Co1Re1Ge2
4
216
57.76
mp-30453
-6.576377
-4.757714
0.872746
other
Dy1Bi1Pt1
3
216
74.9
mp-961662
-6.329779
-3.61816
3.336176
other
Zr1Ni1Ge1
3
216
59.08
mp-1217473
-7.703616
0.018574
5.826499
other
Tb1Ho1Fe4
6
216
97.51
mp-1077332
-9.158803
-1.455439
2.835214
other
Ho1Cd1Ni4
6
216
83.74
mp-568470
-6.413258
-3.880538
3.288701
other
Zr1Ni1Sn1
3
216
67.63
mp-631353
-6.868674
-1.986002
3.673826
other
Mn1Re1Pt1
3
216
50.26
mp-1077752
-9.535655
-4.742713
3.806439
other
Tb1Cu4Au1
6
216
88.1
mp-10178
-3.173427
-4.058467
0.743386
other
Li1Mg1P1
3
216
48.13
mp-13018
-8.317095
-0.866812
4.632592
other
U1Co4Sn1
6
216
85.27
mp-621592
-8.559813
-6.59959
3.115489
other
Y1Pb1Au1
3
216
78.52
mp-631396
-6.828929
-1.493972
4.439844
other
K1Fe1Tc2
4
216
63.23
mp-21026
-7.957018
-5.328311
3.274398
other
Li2In1Pt1
4
216
63.42
mp-569661
-9.458669
-4.728067
3.870556
other
Yb1In1Cu4
6
216
92.35
mp-34611
-5.300801
-5.000914
0.206842
other
Zn1Ag1As1
3
216
60.76
mp-1217484
-7.701531
-0.035974
5.809219
other
Tb1Nd1Fe4
6
216
100.66
mp-1222946
-8.747104
-2.703044
3.956646
other
La1Ce1Rh4
6
216
109.75
mp-1222657
-7.515314
-5.786221
2.900633
other
Li2Ge1Pd1
4
216
54.38
mp-30449
-6.100327
-5.721313
0.556885
other
Mg1Cu1Bi1
3
216
66.54
mp-631544
-3.828501
-6.154051
5.27528
other
Ba1Si1B1
3
216
78.83
mp-961719
-6.401813
-3.033303
1.980027
other
Hf1As1Rh1
3
216
60.77
mp-30457
-6.564186
-4.761834
1.121205
other
Lu1Ni1Bi1
3
216
63.89
mp-631533
-5.239644
-5.97834
2.827847
other
P1Pb1W1
3
216
72.34
mp-1215187
-6.627801
-3.552538
5.342775
other
Zr1U1Al4
6
216
114
mp-1215205
-7.479331
-1.04338
4.228053
other
Zr1Ta1Co4
6
216
79.68
mp-962076
-3.8838
-5.88275
4.801733
other
Sr1Cd1Si1
3
216
97.06
mp-3289
-9.083775
-1.539179
2.804072
other
La1Mg1Ni4
6
216
88.47
mp-631635
-6.904434
-4.895386
3.104994
other
Ta1Co1Sn2
4
216
76
mp-30847
-7.844076
-4.086756
2.813243
other
Ti1Sn1Pt1
3
216
59.37
mp-1224294
-6.114743
-1.085642
4.071555
other
Hf1Si1W4
6
216
106.33
mp-570768
-8.357983
-6.602113
6.728477
other
Dy16Cd4Rh4
24
216
618.83
mp-1018009
-3.94069
-5.462644
5.242205
other
Li2Mg1Si1
4
216
63.85
mp-1072255
-9.038988
-1.636753
2.863005
other
Sc1Ni4Au1
6
216
77.52
mp-38194
8.596872
2.057388
2.40011
other
Y1O1F1
3
216
40.26
mp-631472
-4.91374
-5.262558
0.312614
other
In1Fe1As1
3
216
61.96
mp-631342
-7.021776
-1.616441
3.983801
other
Mn1Tc1Pd1
3
216
48.45
mp-36111
-3.389777
-4.09914
0.712876
other
Li1Mg1P1
3
216
53.39
mp-1077341
-9.502625
-4.449865
3.687125
other
Yb1Cu4Ni1
6
216
81.93
mp-1219553
5.28934
-0.386739
-2.997308
other
Rb1B1H4
6
216
82.36
mp-631674
-5.674527
-1.320403
4.22555
other
La1Re2Ag1
4
216
77.43
mp-1222913
-7.862837
-1.780938
4.800232
other
La1Ce1Ru4
6
216
109.79
mp-35841
-7.009371
-6.113368
3.682734
other
Li2Cu1Ge1
4
216
51.14
mp-631294
-4.868124
-2.327044
2.576162
other
Hf1Mo1Se1
3
216
64.2
mp-2894
-8.591424
-6.048836
3.026325
other
Sc1Sn1Au1
3
216
67.77
mp-696470
8.843089
8.698973
-2.438902
other
Ag7N1O6
14
216
209.43
mp-1008631
-6.317362
-2.166481
-0.47838
other
V1Co1Te1
3
216
50.43
mp-22229
-9.497602
-4.787678
4.080271
other
Tb1In1Cu4
6
216
92.47
mp-1100420
-5.026577
-6.133113
0.754457
other
Na1Ca1Sb1
3
216
89.73
mp-34976
11.584131
8.652533
2.505212
other
Ce1O1F1
3
216
45.53
mp-1100421
-7.899824
-3.829662
2.969674
other
V1Sn1Rh1
3
216
55.78
mp-1100398
-5.150141
-5.521222
0.666123
other
Li1Be1Sb1
3
216
51.42
mp-1215917
-5.980436
-3.381298
3.926226
other
Zr16Ni4Mo4
24
216
484.33
mp-631572
-5.847959
-2.366692
2.05874
other
Ga1Re1As1
3
216
54.45
mp-961652
-5.890625
-3.085223
1.622851
other
Zr1Fe1Sb1
3
216
59.01
mp-1100411
-6.388702
-6.883966
2.921635
other
Ca1Cd1Sn1
3
216
86.46
mp-1211384
-7.587031
-6.298847
6.040997
other
La16Cd4Pt4
24
216
747.35
mp-631545
0.962629
1.939345
-3.993945
other
Li1B1Br2
4
216
93.08
mp-1094088
-6.81266
-3.048407
3.27863
other
Nb1Co1Sn1
3
216
52.47
mp-13308
-8.641131
-6.14265
3.072874
other
Ho1Ge1Au1
3
216
69.31
mp-505572
-6.64483
-2.416863
6.34673
other
Al13Cr4Si4
21
216
324.72
mp-30796
-7.103881
-3.733711
3.242838
other
Nb1Sn1Rh1
3
216
62.59
mp-569478
-8.464766
-6.437841
6.61216
other
Ho16Cd4Rh4
24
216
610.94
mp-11836
-6.466886
-4.363262
0.664369
other
Er1Sb1Pd1
3
216
69.41
mp-1208963
-7.771104
-6.803484
6.920469
other
Sm16Mg4Pd4
24
216
702.3
mp-5866
-6.182015
-3.73164
0.846046
other
Mn1Cu1Sb1
3
216
56.32
mp-581510
-7.398198
-6.343389
6.29883
other
La16Cd4Co4
24
216
695.78
mp-11361
-8.177773
-5.355155
2.997547
other
Mg1Cu1Sn1
3
216
59.06
mp-1226065
-5.463418
-0.783369
-4.007767
other
Co1Ni5S8
14
216
209.14
mp-962070
-4.550025
-5.006099
5.692455
other
Li1Sc1Si1
3
216
63.08
mp-20952
-6.17571
-3.243389
1.202444
other
Ti1Ni1Sb1
3
216
51.66
mp-1224645
-7.071401
-4.635522
6.487703
other
Gd1Dy1Al4
6
216
121.09
mp-20514
-8.676197
-6.175069
3.011728
other
Gd1Sn1Au1
3
216
76.86
mp-631471
-6.971153
-6.46759
6.592525
other
Y1Sc1Be1
3
216
68.84
mp-999054
-6.254181
-2.393677
4.049744
other
Ti2Ga1Co1
4
216
57.38
mp-567422
-6.411497
-4.807497
1.024283
other
Gd1Ni1Bi1
3
216
68.49
mp-961680
-7.406551
-4.053721
3.481855
other
Nb1Al1Pt1
3
216
58.02
mp-15988
-5.729882
-5.48721
0.639476
other
Li2Cu1Sb1
4
216
62.27
mp-622980
-6.307701
-2.788894
-1.650854
other
Mn1Te1Pd1
3
216
64.27
mp-1226594
-7.783757
0.109954
5.645473
other
Ce1Pu1Fe4
6
216
85.34
mp-1211438
-7.38497
-6.29976
6.138696
other
La16Cd4Pd4
24
216
748.08
mp-10154
-6.756719
-3.07301
0.933841
other
Mn1Sb1Ir1
3
216
57.19
mp-631546
-5.864987
-6.227727
0.734398
other
Tl1Co1Bi1
3
216
83.57
mp-1219772
-8.677459
-0.639766
5.036177
other
Pr1Y1Co4
6
216
96.1
mp-631537
-4.623433
-1.720206
4.212016
other
Be1Re1B1
3
216
34.61
mp-1196499
-7.379062
-7.632428
1.958738
other
Ba20Zn5Hg99
124
216
3,538.58
mp-1207787
-7.779475
-6.664017
6.681322
other
Y16Mg4Pd4
24
216
669.28
mp-569582
-7.324877
-6.363723
6.413636
other
La16Mg4Co4
24
216
712.59
mp-1206479
-9.429506
-5.118416
3.820719
other
Yb1Tl1Cu4
6
216
94.27
mp-1077552
-9.306286
-1.557561
2.743445
other
Tb1Ni4Au1
6
216
82.51
mp-13085
-6.743053
-1.759151
1.864568
other
Mn2Co1Sb1
4
216
53.77
mp-962072
-6.093917
-6.898454
4.113084
other
K1Y1Sn1
3
216
106.86
mp-631895
-6.136209
-1.046748
3.685693
other
Fe1Pb1W2
4
216
66
mp-1018119
-7.407855
-3.047927
3.097396
other
V1Co1Sn1
3
216
52.35
mp-1008867
8.83919
9.628648
0.001811
other
Na1Cu1O1
3
216
38.3
mp-961678
-6.053861
-2.674203
-0.347363
other
Sc1Co1Te1
3
216
54.66
mp-1222660
-5.463997
-6.009395
0.516007
other
Li2Mg1Sb1
4
216
83.78
mp-631550
-5.000293
-6.585976
2.193579
other
Ca1Bi1B1
3
216
82.34
mp-1100417
-6.615232
-3.100358
0.778101
other
V1Sb1Rh1
3
216
56.29
mp-1213597
-5.996024
-4.633194
0.949586
other
Dy6Cu40Sb22
68
216
1,204.9