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-865599
-8.976816
-5.427738
6.061934
other
Lu2Ru1Pt1
4
225
74.74
mp-867901
-5.960791
-1.597102
4.26727
other
Sc1Ta1Tc2
4
225
65.11
mp-1184092
-9.010562
-5.935132
4.887749
other
Er2Cu1Pd1
4
225
80.64
mp-1186469
-8.832853
-6.489442
2.668122
other
Pr1Pb1Au2
4
225
95.58
mp-27882
1.601801
2.732246
-5.877743
other
Cs2Ge1Cl6
9
225
276.34
mp-7187
-7.915088
-1.956771
2.771675
other
Ti1Al1Ni2
4
225
49.93
mp-16495
-6.926403
-0.263908
4.002477
other
Al1Cr1Fe2
4
225
44.48
mp-1187684
-7.787505
-6.771722
3.600739
other
Yb1Eu1Ag2
4
225
104.21
mp-862831
-6.161091
-1.707844
4.362954
other
Pa1Ti1Tc2
4
225
69.74
mp-977409
-5.901464
-1.352989
3.976634
other
Nb1Tc2Ge1
4
225
60.31
mp-973561
-7.360211
-5.374655
5.607136
other
Li1Ce2Ru1
4
225
86.52
mp-1184061
-8.438668
-3.097923
3.694989
other
Dy1Tl1Rh2
4
225
73.13
mp-973635
-8.17462
-6.588438
5.805598
other
Lu2Zn1In1
4
225
91.12
mp-1185507
-8.202051
-8.020494
3.091517
other
Lu1Ag1Hg2
4
225
83.85
mp-1185354
-8.324079
-6.46319
7.000296
other
Li1Gd2Os1
4
225
84.91
mp-867477
-6.637027
-6.915176
2.996805
other
Eu2Sn1Hg1
4
225
121.68
mp-1213780
-5.992345
-0.159397
3.389192
other
Cr21Fe2C6
29
225
293.93
mp-862361
-8.250098
-4.521357
4.990735
other
Sc2Ni1Os1
4
225
64.4
mp-1185371
-8.447177
-6.421771
6.061106
other
Li1Lu2Au1
4
225
87.75
mp-1185198
-8.107985
-6.904077
4.184029
other
La1Eu1Ag2
4
225
112.84
mp-1186292
-8.341921
-6.790902
3.680755
other
Nd1Al1Ag2
4
225
85.42
mp-1185398
-7.122282
-7.268862
5.868612
other
Li1Pm2Pb1
4
225
111.53
mp-19971
-7.444916
-1.233918
3.19265
other
Zn1Co2Ge1
4
225
46.14
mp-1184524
-8.354306
-6.866319
5.509409
other
Gd1Dy1Zn2
4
225
90.51
mp-978523
-8.603016
-5.357553
4.627962
other
Sc2Zn1Cu1
4
225
71.11
mp-11366
-9.097503
-4.619418
4.193271
other
Zr1Zn1Cu2
4
225
58.44
mp-866223
-8.000297
-8.102323
3.823499
other
Ca1Y1Hg2
4
225
102.77
mp-865099
-7.983487
-7.99456
3.557756
other
Na1La1Hg2
4
225
106.64
mp-1184573
-6.984241
-2.024789
4.377427
other
Hf1Ta1Ru2
4
225
64.86
mp-1111774
-1.088271
2.704033
-2.984555
other
Na3Tl1I6
10
225
453.73
mp-862296
-8.173166
-3.032004
2.72952
other
Li1Al1Pt2
4
225
52.97
mp-866075
-7.693823
-2.231489
4.030581
other
Mg1Ta1Ir2
4
225
62.06
mp-866139
-5.73936
-1.501093
4.44575
other
Ti1Be2Ir1
4
225
45.46
mp-557938
9.160784
2.065269
1.506131
other
Hf1V1F6
8
225
132.98
mp-1183093
-8.161641
-5.983551
5.28297
other
Ac2Ir1Rh1
4
225
101.41
mp-862672
-8.223171
-6.251613
6.487908
other
Li1Y2Rh1
4
225
85.22
mp-1185505
-8.513992
-2.372213
3.841363
other
Lu1Mn1Rh2
4
225
64.63
mp-672657
-7.590672
-1.316248
3.869981
other
Hf6Co16Ge7
29
225
370.88
mp-862685
-7.169747
-6.905195
5.047037
other
Li1Ac2Ir1
4
225
109.11
mp-863725
-8.511693
-6.067199
5.685776
other
Pm2Pd1Pt1
4
225
91.13
mp-1184828
-8.072699
-6.57602
5.796612
other
Ho1Tm1In2
4
225
101.93
mp-977590
-8.611474
-5.178782
3.301244
other
Nd1In1Pd2
4
225
82
mp-1079118
1.347634
2.258528
-3.607372
other
Ir1Br6O2
9
225
220.8
mp-862734
-7.641589
-6.959373
5.570662
other
Pm2Zn1Sn1
4
225
105.27
mp-1079581
3.793721
3.519202
-3.741558
other
Ru1N6Cl2
9
225
130.27
mp-1186026
-6.151705
-0.941167
4.102539
other
Mn1Tc2Ge1
4
225
54.41
mp-542739
-7.718931
0.247663
3.572821
other
Co21Sn2B6
29
225
295.56
mp-1110579
9.028057
0.986817
0.921952
other
Li3In1F6
10
225
132.59
mp-1184602
-6.965389
-2.65702
4.469237
other
Hf2Mn1Co1
4
225
61.61
mp-865326
-8.701679
-5.413372
5.195836
other
Lu2Pd1Pt1
4
225
78.69
mp-1187627
-8.775138
-6.234729
3.00504
other
Yb1Nd1Au2
4
225
97.39
mp-1184601
-7.334338
-2.444044
4.559911
other
Hf1Zr1Ru2
4
225
68.25
mp-37737
9.026688
2.213913
1.763053
other
Hf1Ti1F6
8
225
117.8
mp-1184025
-6.094223
-7.100254
3.930972
other
Eu2Mg1In1
4
225
125.81
mp-866062
-7.167786
-1.784313
4.764503
other
Hf1Si1Ru2
4
225
57.93
mp-1185239
-6.546422
-6.978947
2.290089
other
Li1Tl2Pd1
4
225
77.73
mp-1184108
-7.816803
-7.087357
5.565419
other
Er2Tl1Zn1
4
225
95.67
mp-1186311
-7.904097
-7.850688
3.716566
other
Nd1Eu1Hg2
4
225
113.26
mp-1187522
-7.828719
-7.002266
4.527793
other
Yb1Sm1Cd2
4
225
110.13
mp-976129
-8.376611
-6.813606
5.36842
other
Pr1Er1Zn2
4
225
94.01
mp-862925
-8.244504
-4.206494
3.315999
other
Pm1In1Pt2
4
225
81.17
mp-867338
-8.037263
-7.069602
3.153672
other
Ac1Cd1Ag2
4
225
100.78
mp-631336
-5.610794
-4.114569
3.813711
other
La1Mg1Nb2
4
225
87.01
mp-1184500
-8.122597
-7.149019
5.526478
other
Gd2Zn1Hg1
4
225
99.94
mp-1187473
-5.969881
-1.199799
4.101129
other
Ti1Ga1Tc2
4
225
57.57
mp-1206721
1.296488
2.59444
-5.977769
other
Cs3Eu1Cl6
10
225
430.3
mp-976884
-6.790621
-4.843838
0.75056
other
Pr1Bi1Pd2
4
225
89.46
mp-1186254
-7.744611
-7.077188
5.845959
other
Nd2Tl1Cd1
4
225
115.8
mp-3499
-7.310819
-3.611666
1.003481
other
Mn1Sb1Pd2
4
225
67.99
mp-1183548
-6.76634
-7.194815
3.563426
other
Ca1Mg1Cd2
4
225
95.82
mp-17838
8.306609
1.033141
1.894053
other
K2Tb6F20
28
225
387.76
mp-865102
-7.014465
-7.35127
4.777706
other
Na1La1Tl2
4
225
115
mp-1187731
-8.21165
-7.100991
5.428084
other
Y2Zn1Hg1
4
225
96.61
mp-865307
-9.089672
-5.858542
6.324517
other
Tm2Cu1Ir1
4
225
76.65
mp-1187422
-6.849137
-1.600868
4.193295
other
Ti2Co1Os1
4
225
56.57
mp-977546
-7.725211
-6.967365
6.126614
other
Pm2Zn1Ga1
4
225
97.61
mp-977359
-8.395586
-6.259752
2.575655
other
Ca1Sn1Au2
4
225
86.73
mp-4612
-7.04389
-1.010103
3.254609
other
Ti1Co2Ge1
4
225
48.9
mp-972522
-8.564748
-6.910447
5.40386
other
Sm1Tm1Zn2
4
225
90.38
mp-1187664
-6.1266
-1.391387
4.242567
other
Tm1Re1Tc2
4
225
66.06
mp-1183801
-6.935844
-6.274965
5.359548
other
Ce2Mg1Cd1
4
225
114.23
mp-976326
-7.783709
-6.915935
2.408271
other
Na1In1Ag2
4
225
79.23
mp-865623
-9.111599
-5.302988
6.043659
other
Lu2Ir1Rh1
4
225
73.63
mp-21573
-8.348675
-0.515188
2.388318
other
Ni21Sn2B6
29
225
288.34
mp-867114
-7.008275
-1.738459
4.353555
other
Ta1Be1Ru2
4
225
54.33
mp-1183809
-7.480716
-6.541319
4.446928
other
Ce2Hg1Pb1
4
225
118.77
mp-867828
-6.996101
-1.684333
4.344958
other
Be1Nb1Ru2
4
225
54.76
mp-984791
-7.7552
-7.014892
4.744718
other
Ca1Tm1Cd2
4
225
103.44
mp-1185035
-7.893601
-6.417781
5.467665
other
La1Er1In2
4
225
112.93
mp-1206592
-8.4525
-5.32616
2.929386
other
Dy1Pd2Pb1
4
225
79.73
mp-1186707
-8.023528
-6.744315
5.83704
other
Pm1Y1In2
4
225
109.43
mp-865275
-7.166653
-2.35982
4.715122
other
Tm1Zr1Os2
4
225
72.07
mp-972536
-7.899782
-7.191571
5.788158
other
Sm2Tl1Ag1
4
225
107.82
mp-30819
-7.810459
-4.100735
4.221509
other
Li1Al2Pt1
4
225
55.01
mp-1206594
-7.345984
-1.443956
4.13939
other
Cr1Ge1Ru2
4
225
53.23
mp-1184613
-8.243258
-4.166246
5.891488
other
Gd1Th1Ru2
4
225
84.73
mp-863707
-5.358195
-6.450593
0.827561
other
K1Na2Bi1
4
225
122.05
mp-1187384
-7.998858
-6.564567
5.783834
other
Tb1Tm1In2
4
225
103.31
mp-1193533
-9.302589
-4.764878
4.301929
other
Yb6Al7Cu16
29
225
466.45
mp-1185316
-8.170692
-2.248805
4.72839
other
Li1Ga2Co1
4
225
48.85