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-30079
-6.686695
-10.300979
4.720948
other
Li1Mg2Ge1
4
225
76.86
mp-973757
-7.369082
-3.803771
1.522337
other
Pm1Bi1Rh2
4
225
79.53
mp-1187363
-8.895661
-5.383176
6.138787
other
Tb1Gd1Rh2
4
225
82.33
mp-1184248
-9.074848
-5.86632
4.734771
other
Er1Tm1Pd2
4
225
81.79
mp-867124
-8.343016
-5.886767
6.136162
other
La2Zn1Ir1
4
225
98.43
mp-973091
-7.700998
-8.677644
6.764377
other
La1Ho1Mg2
4
225
115.78
mp-867781
-7.456866
-1.691121
4.415534
other
Ta1Ga1Ru2
4
225
58.36
mp-865862
-8.801583
-6.358864
2.929495
other
Ce1Ag1Au2
4
225
88.04
mp-624070
-8.54115
-5.139392
3.209741
other
Gd1In1Pd2
4
225
80.55
mp-1112542
-1.236663
3.093458
-3.019215
other
Cs2Tl2I6
10
225
503.76
mp-865846
-7.744564
-2.918513
4.995615
other
Lu1Hf1Ru2
4
225
69.16
mp-672677
-7.035322
-1.009434
3.845425
other
Ti6Co16Si7
29
225
333.47
mp-1207174
-5.800922
-5.318851
5.187803
other
Li1Al2Ge1
4
225
69.37
mp-541938
-6.776627
-1.00703
3.654812
other
Nb6Co16Si7
29
225
342.75
mp-1183826
-8.174458
-6.936121
5.328497
other
Dy1Lu1Cd2
4
225
99.47
mp-10123
-8.269122
-0.569853
2.355884
other
Ni21B6Sb2
29
225
288.56
mp-862739
-8.324923
-6.384886
2.132002
other
Pu1Hg1Au2
4
225
88.07
mp-861640
-6.217944
-1.994041
4.359766
other
Ti2Al1Re1
4
225
61.64
mp-1183305
-6.464904
-7.409067
2.809341
other
Ba1Sr1Hg2
4
225
135.58
mp-1183220
-8.411971
-3.478824
3.369593
other
Ac1Rh2Pb1
4
225
87.1
mp-1111069
9.131334
1.091644
0.204273
other
Li3Pd1F6
10
225
126.06
mp-1187411
-8.685097
-5.229242
5.62331
other
Tb1Eu1Rh2
4
225
80.16
mp-1187879
-8.212938
-6.383079
3.257001
other
Yb2Ag1Au1
4
225
94.05
mp-865847
-8.682884
-5.491309
5.586891
original
Lu2Cu1Pt1
4
225
76.8
mp-978256
-6.099014
-7.561966
2.646701
original
Mg2Tl1Pb1
4
225
100.22
mp-973957
-7.90852
-6.66869
5.001071
other
La2Zn1Ag1
4
225
108.95
mp-864883
-8.323812
-4.556901
2.160497
other
Mg1Sn1Pd2
4
225
66.85
mp-1186680
-9.263108
-5.192042
4.328494
other
Pm1Zn1Cu2
4
225
69.5
mp-1205850
1.66835
2.353462
-3.543182
other
Tc1Br6N2
9
225
274.48
mp-865601
-8.96931
-5.495183
6.333145
other
Lu2Ru1Rh1
4
225
72.57
mp-867350
-5.532868
-7.160955
3.826069
other
Ca2Mg1In1
4
225
116.1
mp-861657
-6.126621
-6.600205
4.702932
other
Li2Pr1Al1
4
225
81.96
mp-1183554
-8.008388
-8.099674
3.991511
other
Ca1Ho1Hg2
4
225
101.3
mp-861901
-9.069859
-4.890697
4.057907
other
Li1Ga1Cu2
4
225
49.33
mp-862837
-8.274537
-6.784219
3.534897
other
Pm1Al1Ag2
4
225
82.58
mp-1183460
-6.027893
-7.074916
3.495506
other
Ca2In1Pb1
4
225
117.2
mp-1186462
-8.300835
-6.429241
5.78188
other
Pm2Cu1Pd1
4
225
90.7
mp-1183037
-8.753875
-6.02642
2.734074
other
Zr1Zn1Au2
4
225
71.13
mp-865800
-6.450443
-5.763644
1.376785
other
Yb2Bi1Au1
4
225
107.53
mp-1187511
-5.983112
-0.920928
3.692562
other
Ti1Re2Mo1
4
225
60.51
mp-1186943
-8.339108
-4.966962
4.471568
other
Sc2Ga1Pd1
4
225
73.85
mp-1184615
-7.25046
-3.444397
4.270152
other
Hf2Cu1Rh1
4
225
69.38
mp-641595
-7.147274
0.573036
3.458918
other
Fe21W2C6
29
225
287.39
mp-866207
-8.703502
-5.36169
3.296486
other
Lu1Cd1Pd2
4
225
73.11
mp-1184769
-9.096075
-5.3737
6.068429
other
Ho1Er1Ir2
4
225
77.48
mp-1184968
-6.869507
-6.910822
4.748
original
Li2Lu1In1
4
225
75.61
mp-553896
8.896034
2.011621
1.42729
other
K3Mo1F6
10
225
181.82
mp-1183614
-7.824682
-6.51807
4.932672
other
Ca1Ce1Zn2
4
225
97.13
mp-754296
10.493194
10.924776
0.844788
other
Eu3W1O6
10
225
156.14
mp-865801
-6.000236
-1.628867
4.414544
other
Lu1Pa1Tc2
4
225
77.12
mp-977565
-7.80272
-6.01827
1.516577
other
Nd1Bi1Au2
4
225
98.05
mp-1183071
-8.668443
-6.17714
2.630421
other
Ac1Cd1Au2
4
225
99.65
mp-23499
1.488902
2.502095
-5.547512
other
K2Sn1Cl6
9
225
251.7
mp-864696
-8.918013
-5.938705
6.690457
other
Ho2Co1Os1
4
225
76.87
mp-973826
-7.067303
-5.993289
3.603921
other
Li1Ho1Sn2
4
225
98.38
mp-865093
-8.06166
-1.928365
2.82472
other
Ti1Zn1Ni2
4
225
49.14
mp-1185190
-6.36942
-7.067768
3.897963
other
Li2Yb1In1
4
225
88.51
mp-865585
-7.225585
-1.480197
3.992142
other
V1Ge1Ru2
4
225
53.74
mp-863717
-8.644817
-6.428089
6.646781
other
Pm2Ni1Ru1
4
225
83.06
mp-1192664
-7.761141
-9.488113
6.302757
other
Ce6Mg23As1
30
225
768.49
mp-690789
3.336427
-0.6075
-2.248399
other
K3Re1H6
10
225
162.04
mp-16341
-6.800428
-7.212528
2.905769
other
Li2Hg1Ge1
4
225
67.84
mp-1184750
-8.84034
-5.854297
5.140441
other
Ho1Er1Cu2
4
225
79.49
mp-982974
-8.426648
-6.140406
2.317979
other
Li1Be1Au2
4
225
53.27
mp-1194261
-8.20077
-4.431247
4.504516
other
Sc6Al16Pd7
29
225
478.03
mp-862262
-8.192686
-8.032264
3.332176
other
La1Cd1Hg2
4
225
100.97
mp-1111281
9.320446
2.237128
1.821208
other
Li3Ta1F6
10
225
131.59
mp-1184909
-7.839573
-2.766864
4.944242
other
Ho1Np1Ru2
4
225
76.68
mp-1184083
-8.516693
-6.664816
5.317608
other
Er2Zn1Ag1
4
225
88.97
mp-866074
-8.313134
-6.878286
3.643593
other
Nd1Mg1Ag2
4
225
89.8
mp-865315
-8.701961
-6.143479
6.590374
other
Lu2Mg1Os1
4
225
81.53
mp-864782
-6.048137
-1.723319
4.00236
other
Ta2Mo1Ru1
4
225
64.69
mp-1111318
-1.149455
2.879318
-2.88961
other
K3Tl1I6
10
225
513.87
mp-864943
-6.095361
-1.285818
4.442462
other
Mn1Be2Ir1
4
225
42.66
mp-1183079
-6.769893
-8.003776
5.201638
other
Ac2Mg1Tl1
4
225
140.21
mp-1184647
-7.070648
-3.111918
4.349827
other
Hf1Zr1Co2
4
225
64.69
mp-983063
-8.039441
-7.940445
4.640754
other
Pm1Sm1Hg2
4
225
108.16
mp-1192839
-7.772875
-9.422258
6.318412
other
Ce6Mg23Ge1
30
225
733.18
mp-11519
-7.988323
-2.358372
3.192646
other
Ni1Sn1Rh2
4
225
59.68
mp-1183904
-7.050334
-6.399488
3.482764
other
Eu2Ag1Pt1
4
225
101.36
mp-1113826
8.556205
1.643176
1.485182
other
Rb3Nb1F6
10
225
216.82
mp-1186687
-8.824183
-5.624534
6.250506
other
Pr2Ir1Rh1
4
225
91.38
mp-867822
-8.86064
-6.352878
3.001193
other
Li1Y1Au2
4
225
79.59
mp-972415
-7.560465
-5.654896
6.547519
other
Y1Er1Al2
4
225
91.53
mp-865553
-6.322882
-6.950368
3.80452
other
Ca1Eu1In2
4
225
118.49
mp-865792
-7.245047
-1.47789
2.997104
other
Be1Si1Ni2
4
225
39.19
mp-1185770
-8.272959
-4.452712
3.769062
other
Mg2Ni1Rh1
4
225
56.58
mp-861974
-8.05936
-4.103696
3.252351
other
Pa1Cd1Pt2
4
225
79.19
mp-861667
-7.174215
-2.6041
1.7281
other
Li1Sb1Rh2
4
225
57.71
mp-1183173
-8.009951
-1.914354
2.749074
other
Al1Ga1Ni2
4
225
47.14
mp-866002
-6.714778
-7.31651
3.527531
other
Yb1Tl2Cd1
4
225
106.97
mp-1185379
-7.50376
-6.727128
2.607821
other
Li1In2Ag1
4
225
81.47
mp-1187015
-7.60951
-7.030598
5.675337
other
Sm2Hg1Pb1
4
225
111.97
mp-23405
-0.506233
1.311422
-4.58112
other
Cs2Te1Br6
9
225
340.05
mp-1111308
9.043327
1.642435
1.512221
other
K3V1F6
10
225
178.55
mp-1205935
8.930796
0.910608
0.167959
other
Fe1Ag3F6
10
225
158.24
mp-1183301
-5.397359
-7.198427
3.115329
other
Ba2Zn1Hg1
4
225
142.35
mp-1185503
-8.617332
-2.204246
3.131603
other
Lu1Ga1Ni2
4
225
59.32
mp-1113506
1.265057
2.055634
-5.461363
other
Na3Sm1Cl6
10
225
311.68
mp-864770
-6.000607
-1.778347
4.022977
other
Ta2Mo1Os1
4
225
65.14