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-863684
-7.77196
-6.653753
6.124169
other
Pm2Ge1Au1
4
225
98.63
mp-867364
-8.547748
-5.165507
3.522999
other
Li1Tm1Pd2
4
225
69.33
mp-1185376
-7.108919
-7.36957
4.770103
other
Li1La1Tl2
4
225
107.48
mp-862833
-9.064055
-6.454042
2.773217
other
Pa1Zn1Au2
4
225
80.11
mp-865654
-7.916998
-7.233777
5.42491
other
Y2Tl1Ag1
4
225
102.07
mp-1184310
-6.271532
-7.025766
4.024983
other
Eu2Zn1Ga1
4
225
104.76
mp-1183190
-7.464753
-7.178864
4.534878
other
Ac1Zn2In1
4
225
98.34
mp-1113151
8.02935
0.688552
1.68268
other
Cs3Y1F6
10
225
243.4
mp-861964
-8.792217
-5.959689
6.497502
other
Li1Lu2Ir1
4
225
76.94
mp-1183598
-6.337621
-7.204664
3.436121
other
Ca2In1Hg1
4
225
110.59
mp-1193751
-8.168493
-4.335542
2.10992
other
Ce2Si6Pd21
29
225
462.75
mp-864876
-8.530005
-2.914761
3.852739
other
Tb1In1Rh2
4
225
72.2
mp-867170
-8.27132
-3.21281
2.721071
other
Li1Ga1Pt2
4
225
54.05
mp-864926
-6.174692
-1.782703
4.364577
other
Hf1Pa1Tc2
4
225
74.87
mp-22290
-7.567729
-1.465635
2.802271
other
Mn6Si7Ni16
29
225
335.7
mp-1114001
1.257123
2.559248
-5.727409
other
Rb2In2Cl6
10
225
327.42
mp-636953
-7.379621
-1.346739
2.946961
other
V6Si7Ni16
29
225
337.14
mp-975049
-8.223655
-7.662241
4.60838
other
Nd1Sm1Hg2
4
225
109.09
mp-1187806
-8.111687
-3.651827
4.337367
other
Yb1Zr1Ir2
4
225
73.18
mp-1183758
-8.21797
-6.565554
4.96275
other
Ce1Sm1Zn2
4
225
100.11
mp-866176
-8.147703
-6.031712
2.422257
other
Li2Pd1Au1
4
225
54.33
mp-973636
-8.23673
-6.222437
5.845268
other
Lu2Zn1Ga1
4
225
82.72
mp-1185193
-7.644162
-6.606856
5.410439
other
La2Cd1In1
4
225
123.25
mp-1187188
-7.851425
-4.723717
3.673452
other
Sr1La1Pt2
4
225
98.12
mp-2647124
-0.410211
1.264234
-4.647695
other
Cs2Pb1Br6
9
225
367.5
mp-862902
-7.941489
-8.754483
6.871274
other
Pm1Dy1Mg2
4
225
111.94
mp-632715
8.094459
0.859731
1.858236
other
Cs3Ce1F6
10
225
260.9
mp-972275
-6.4539
-1.579756
4.189283
other
Ti2Re1Ru1
4
225
59.76
mp-865911
-7.883129
-7.885319
3.664968
other
Yb1Pm1Hg2
4
225
108.06
mp-862962
-7.853281
-6.79659
5.060565
other
Ca1La1Zn2
4
225
102.2
mp-977563
-7.882479
-2.378637
4.023785
other
Li1Nb1Ir2
4
225
58.03
mp-977427
-8.4343
-3.321264
2.866713
other
Zn2Pt1Rh1
4
225
54.79
mp-567389
-6.412992
-6.853585
3.491226
other
Li2Zn1Ge1
4
225
58.85
mp-1185369
-7.765579
-6.534891
5.230069
other
Li1Lu1In2
4
225
90.66
mp-979715
-7.477418
-5.723338
6.622509
other
Y1Ho1Al2
4
225
92.27
mp-864804
-8.188435
-8.197639
3.380863
other
Li1Tb1Hg2
4
225
88.11
mp-1112606
8.043466
0.747028
1.249949
other
Cs3Bi1F6
10
225
255.66
mp-1185992
-7.967404
-2.528222
2.82174
other
Mn1Cu1Pt2
4
225
55.04
mp-867315
-7.919132
-8.126493
3.821695
other
Ca1Gd1Hg2
4
225
104.56
mp-1201817
-6.780373
-3.668853
3.446668
other
Er6Si22Pt46
74
225
1,230.67
mp-976143
-8.387803
-6.847173
5.488248
other
Pr1Dy1Zn2
4
225
95.16
mp-865109
-7.18212
-7.394944
4.921791
other
Na1Sm1Tl2
4
225
108.3
mp-1207874
-8.004902
-1.950446
3.117754
other
Y6Si7Ni16
29
225
405.12
mp-978833
-8.001369
-6.604435
5.783968
other
Sm1Y1In2
4
225
108.6
mp-867211
-5.707957
-7.117749
3.740391
other
Li1Ca2In1
4
225
114.86
mp-1187613
-7.834967
-6.98489
4.505186
other
Yb1Dy1Cd2
4
225
106.52
mp-27831
1.294654
2.284228
-5.405397
other
Rb2Zr1Cl6
9
225
266.3
mp-638729
1.364313
2.42784
-5.566211
other
Cs2Zr1Cl6
9
225
292.56
mp-1212915
8.256754
1.416172
0.753164
other
Er6O2F20
28
225
380.36
mp-1186694
-7.896297
-6.552405
5.993401
other
Pr2Zn1Ga1
4
225
102.44
mp-4955
-7.306573
-0.89668
3.409585
other
Al1V1Co2
4
225
46.79
mp-866194
-6.375308
-7.268963
3.273072
other
Li2Mg1Cd1
4
225
72.37
mp-865531
-6.757249
-1.28098
4.548446
other
Ti1Mn2Al1
4
225
56.77
mp-861725
-6.557393
-6.791693
2.298511
original
Li1Tl2Rh1
4
225
73.7
mp-862843
-7.790403
-1.916178
4.766998
other
Pa1Zn1Ru2
4
225
67.02
mp-979417
-8.144958
-6.977407
5.452981
other
Dy1Y1Cd2
4
225
103.61
mp-1388058
9.917259
10.348289
-3.060868
other
Te1W1O6
8
225
112.53
mp-1184284
-8.188183
-6.861436
5.233738
other
Er1Tm1Cd2
4
225
99.27
mp-865804
-7.961731
-2.379554
3.602208
other
Ta1Zn1Rh2
4
225
58.57
mp-971836
-8.246511
-2.604481
2.982744
other
Zn2Ni1Ir1
4
225
50.94
mp-1184463
-7.659369
-7.022953
2.835556
other
Eu1Ag2Pb1
4
225
95.14
mp-865037
-8.168283
-6.445728
3.637938
other
Ce1Mg1Ag2
4
225
92.11
mp-1184247
-6.793522
-7.034427
3.47577
other
Eu2Zn1Hg1
4
225
111.16
mp-865112
-7.101301
-7.341561
4.848704
other
Na1Pr1Tl2
4
225
112.37
mp-865485
-6.597795
-0.841023
3.744392
other
V2Cr1Os1
4
225
53.07
mp-865416
-5.85162
-1.639585
4.491534
other
Lu1Th1Tc2
4
225
81.71
mp-1184817
-8.588934
-5.021917
3.255796
other
Ho1Zn1Pd2
4
225
71.98
mp-867805
-5.518522
-7.102122
3.88168
other
Li1Ca2Ga1
4
225
104.26
mp-1110930
-1.188619
2.836765
-2.782727
other
K3Al1I6
10
225
456.7
mp-865226
-8.211404
-7.989704
3.458482
other
Lu1Mg1Hg2
4
225
86.63
mp-1194002
-7.932417
-4.231874
3.997362
other
Zr6Ga16Pt7
29
225
491.33
mp-867874
-7.263793
-1.339121
4.097053
other
Be1V1Ru2
4
225
48.69
mp-862691
-7.147917
-0.698881
4.385525
other
Al2Fe1Co1
4
225
45.3
mp-980392
-8.245914
-7.703419
4.217814
other
Tm1Sc1Hg2
4
225
91.38
mp-1186677
-8.938673
-5.757483
6.338786
other
Pm1Y1Rh2
4
225
82.94
mp-1206646
-6.940272
-1.197105
3.655114
other
Mn2V1Sn1
4
225
54.69
mp-861499
-8.729752
-6.017695
6.352573
other
Pr2Cu1Ir1
4
225
92.92
mp-864975
-8.010492
-4.203178
2.91544
other
Mg2Pd1Pt1
4
225
62.05
mp-865840
-6.537603
-1.631409
4.084126
other
Ti2Tc1Ir1
4
225
58.94
mp-1215499
-3.468045
1.763052
2.991183
other
Yb1Tm1B12
14
225
137.32
mp-642279
-7.072993
-0.212694
4.656002
other
U6Fe16Si7
29
225
392.45
mp-866206
-7.89099
-5.582378
3.846568
other
Yb2Ag1Rh1
4
225
84.28
mp-1184076
-6.764219
-2.216115
4.315356
other
Dy1Ta1Os2
4
225
70.8
mp-865845
-8.163874
-5.32589
4.215715
other
Yb2Cu1Ir1
4
225
77.23
mp-646821
-7.827134
-3.170404
3.703459
other
U1In1Ni2
4
225
68.06
mp-1186119
-8.243781
-5.471575
2.552465
other
Na1Cd1Pd2
4
225
70.93
mp-1205998
8.06774
0.737577
1.666557
other
Rb3Tm1F6
10
225
211.59
mp-1183472
-6.865605
-6.842927
4.494386
other
Ca1Ac1Ga2
4
225
111.1
mp-1186933
-7.924192
-5.629175
4.935718
other
Sc2Cd1Ga1
4
225
80.92
mp-867291
-9.023586
-5.600891
6.447657
other
Tb2Ir1Ru1
4
225
80.72
mp-1193310
-5.865762
-0.130046
3.366899
other
Cr22W1C6
29
225
297.71
mp-1067556
-4.849192
-2.777874
-4.294661
other
Al1Cu1Se2
4
225
67.64
mp-972209
-6.189034
-1.609802
4.068089
other
Ta2Tc1W1
4
225
65.78
mp-1186258
-8.318605
-6.517201
6.832655
other
Nd2Zn1Ru1
4
225
93.21
mp-1187429
-6.756831
-1.13085
4.162391
other
Ti2Fe1Co1
4
225
52.97
mp-3648
-9.326131
-5.334758
2.771019
other
Zn2Cu1Au1
4
225
56.78
mp-1008224
-6.858619
-0.792921
3.380201
other
Cr1Co2Si1
4
225
44.75
mp-1186631
-7.563578
-7.378543
5.58471
other
Pm1Pr1Tl2
4
225
117.97
mp-979437
-5.853181
-1.651119
4.347153
other
Y1Pa1Tc2
4
225
79.82
mp-978085
-7.945461
-7.194578
5.591691
other
Pr2Tl1Ag1
4
225
114.42