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-975647
-7.579802
-6.817916
7.018965
other
Pr3Ag1
4
139
122.68
mp-1018128
-8.464609
-6.713528
3.573443
other
Sc1Ag2
3
139
55.88
mp-1014229
-5.78147
-2.990499
3.742538
original
Ti2Zn1
3
139
48.3
mp-1185461
-6.626253
-6.398904
2.099421
other
Li1Sn3
4
139
98.24
mp-12742
-8.385273
-4.31307
2.011578
other
Mg2Pd6
8
139
121.99
mp-985059
-6.620924
-6.675817
6.46668
other
Ac1La3
4
139
157.34
mp-1186563
-7.063632
-6.810851
6.832963
other
Pm1Er3
4
139
125.76
mp-30836
-8.139812
-4.221981
2.330275
other
Ta1Pd3
4
139
61.02
mp-395
-6.491976
-3.290809
5.518764
other
Zr2Al6
8
139
137.62
mp-1186925
-8.12055
-5.875851
1.877752
other
Sb1Au3
4
139
79.93
mp-1185070
-4.811194
-7.402613
3.56045
other
K1Ca3
4
139
189.58
mp-978967
-6.895463
-6.883702
6.906413
other
Sr1Dy3
4
139
140.36
mp-28919
-5.274248
-3.340037
3.255178
other
Hf3Te2
5
139
126.99
mp-1183660
-6.302621
-6.923773
2.227463
other
Cd1Pb3
4
139
117.17
mp-1186891
-3.993389
-7.122522
1.916592
other
Rb3Yb1
4
139
306.02
mp-1183336
-4.705476
-7.273172
3.750003
other
Ba3Tm1
4
139
204.77
mp-1187734
12.592064
10.244149
1.557874
other
V3Br1
4
139
57.37
mp-978533
-7.229318
-7.643489
1.989586
other
Si1Hg3
4
139
92.7
mp-1217329
-5.676027
-4.587481
4.181916
other
Th1Zr2
3
139
78.5
mp-1009657
2.183395
2.205982
1.012114
other
Ca1N2
3
139
38.25
mp-1196703
-7.498045
-5.963307
4.502913
other
Er22Sn20
42
139
1,084.66
mp-1183239
-7.146633
-7.130636
7.401068
other
Ac1Pr3
4
139
154.93
mp-1187054
-6.2698
-6.1652
5.950527
other
Th3Mg1
4
139
122.43
mp-1183411
-5.675768
-1.454076
4.451805
other
Be3Rh1
4
139
38.01
mp-568069
-5.29628
-3.173085
2.967046
other
Ti4Bi2
6
139
123.29
mp-980940
-5.12294
-2.789795
3.890119
other
Ti3N1
4
139
52.72
mp-13164
-6.375169
-3.297206
3.696355
other
Ti2Pd1
3
139
47.87
mp-976272
-5.173728
-7.339238
3.841734
other
Li1Ca3
4
139
150.26
mp-30359
-8.600972
-7.080256
3.548321
other
Tm1Ag2
3
139
61.1
mp-1183748
-6.639502
-6.003623
5.541905
other
Ce3Cd1
4
139
110.29
mp-979038
-6.315644
-6.121054
5.851442
other
Th3O1
4
139
103.01
mp-1184898
-3.910685
-6.994188
2.022894
other
K3Ga1
4
139
187.96
mp-1185431
-4.115802
-4.89309
5.737477
other
Li1Si3
4
139
56.58
mp-1183635
-7.913374
-6.175268
2.410164
other
Cd3Pd1
4
139
74.69
mp-984715
-4.712201
-7.298223
3.735837
other
Ba3Er1
4
139
203.77
mp-975452
-7.473338
-7.357423
1.978504
other
Hg3Rh1
4
139
79.51
mp-571622
-5.279157
-1.422221
4.678349
other
Be12Pt1
13
139
109.75
mp-1186969
-5.05965
-5.208728
4.363431
other
Rb1Np3
4
139
120.04
mp-1186842
-3.993135
-7.1616
1.780678
other
Rb3Cr1
4
139
240.5
mp-862714
-5.613562
-1.56556
4.671628
other
Be3Ir1
4
139
38.61
mp-1827
-6.292889
-6.007887
4.143944
other
Sr1Ga4
5
139
105.09
mp-1183208
-6.197299
-5.161288
4.150595
other
Al1Ga3
4
139
68.27
mp-1186722
-6.999622
-6.799836
7.236731
other
Pr3Nb1
4
139
119.73
mp-862658
-9.350233
-4.800373
3.80942
other
Li1Cu3
4
139
46.3
mp-975043
-3.884994
-7.102916
1.944471
other
Rb3Ca1
4
139
295.67
mp-973354
-7.889878
-3.206156
2.389004
other
Sb1Pt3
4
139
69
mp-1188513
-4.003327
-4.578461
6.234039
other
Ho4Si12
16
139
279.26
mp-568827
-5.201735
-1.207617
4.662498
original
Be12W1
13
139
109
mp-20642
-7.311767
-0.838445
4.463907
other
Nd1Mn12
13
139
165.38
mp-1187309
-7.147524
-6.458941
6.147946
other
Tb3Te1
4
139
114.82
mp-2486
-2.779856
0.2362
2.547293
other
U1C2
3
139
37.79
mp-978993
-5.930425
-5.795251
5.536591
other
Th3S1
4
139
109.06
mp-976774
-5.652647
-4.472435
3.006628
other
Ni1Ge3
4
139
64.98
mp-1186629
-4.351645
-3.4666
-3.574703
other
Pm1Se3
4
139
93.18
mp-1186355
-4.31493
-3.108526
-2.852733
other
Np1Se3
4
139
83.34
mp-11493
-6.626415
-6.664957
3.517192
other
Lu1Pb2
3
139
83.99
mp-985296
-8.023486
-6.171638
1.960278
other
Ag3Pd1
4
139
66.56
mp-1187354
-6.863083
-6.569525
6.872929
other
Tb3Ce1
4
139
123.73
mp-979282
-5.066274
-4.150049
3.748586
other
Tb1U3
4
139
92.34
mp-1184679
-6.30978
-5.953545
0.416403
other
Hg1Bi3
4
139
120.96
mp-570491
-7.656232
-1.616898
2.847557
other
Ta1Ni3
4
139
48.13
mp-1184801
-5.100237
-4.107304
3.825959
other
Gd1U3
4
139
92
mp-1227047
-5.546165
-7.457805
4.245479
other
Ca1Yb3
4
139
162.62
mp-1183993
3.525023
-0.899374
-2.43031
other
Ga1H3
4
139
26.62
mp-1199158
-7.521852
-6.090042
4.640798
other
Tm22Sn20
42
139
1,102.13
mp-1187301
-7.070571
-6.715976
7.146368
other
Tb3Pr1
4
139
132.52
mp-570179
-9.172436
-6.340508
2.740648
other
Tb1Au2
3
139
62.96
mp-1187410
-6.400926
-6.090049
5.865653
other
Th3Hg1
4
139
119.31
mp-12857
-0.049716
2.350154
2.134131
other
Mn3N2
5
139
49.37
mp-974368
-8.130916
-2.385584
3.461345
other
Rh3Pb1
4
139
63.65
mp-1187010
-7.558906
-6.863194
6.921463
other
Sm3Cd1
4
139
119.91
mp-22897
0.896673
2.038576
-5.031764
other
Hg2Cl2
4
139
113.27
mp-1184658
-8.241474
-4.52133
1.945572
other
Hg1Pd3
4
139
64.97
mp-1018130
-2.665028
0.562638
2.584888
other
Pa1C2
3
139
39.94
mp-972405
-5.566388
-3.831467
2.96616
other
U3Cl1
4
139
77.42
mp-1187941
-4.006275
-4.868825
5.722958
other
Zn1Si3
4
139
61.12
mp-976818
-8.662024
-1.672755
2.612724
other
Ni3Au1
4
139
50.49
mp-30870
-9.441604
-5.973224
4.041842
other
Sm1Zn12
13
139
198.47
mp-11299
-7.655475
-7.140121
1.936225
other
Cd2Hg1
3
139
69.27
mp-1186076
-5.341359
-7.262864
3.06146
other
Na3Ru1
4
139
91.85
mp-1185132
-6.987469
-6.907813
7.326597
other
La1Pr3
4
139
147.19
mp-1187446
-5.294257
-3.470375
4.0755
other
Th1Ti3
4
139
80.95
mp-1187255
-3.956395
-3.614847
1.172244
other
Ta1P3
4
139
58.73
mp-1186529
-6.533479
-7.078963
7.001799
other
Pm3Pa1
4
139
125.71
mp-1105
7.701402
5.623114
-2.97192
other
Ba1O2
3
139
50.81
mp-976404
8.348063
1.94805
-1.014897
other
Na1F3
4
139
42.54
mp-984523
-4.594982
-7.337676
3.383824
other
Cs1Ca3
4
139
205.2
mp-1196590
-6.910635
-4.473771
5.629083
other
Lu22Ge20
42
139
901.59
mp-1186301
-7.131111
-6.916075
7.354505
other
Nd1Dy3
4
139
129.97
mp-1185990
-6.230668
-7.179901
2.24675
other
Mg1Tl3
4
139
108.8
mp-1183954
-4.576209
-7.145102
3.049371
other
Cs1Ba3
4
139
286.82
mp-865610
2.88814
-0.347965
-1.726667
other
Lu1H3
4
139
31.19
mp-985295
-6.377023
-5.757119
1.556299
other
Ag3P1
4
139
69.91
mp-22466
-6.542639
-6.763248
3.148674
other
Sr1In4
5
139
146.58
mp-22562
-2.98829
-3.28197
-4.484271
other
Y2S2
4
139
155.57
mp-1062597
-8.578207
-5.098996
3.377165
other
Ho1Pd2
3
139
65.61
mp-1187758
-8.43329
-5.722821
2.20896
other
W1Au3
4
139
69.7
mp-1185264
-6.645961
-6.737272
6.492818
original
La3Eu1
4
139
151.46
mp-1186195
-5.11361
-4.91638
4.279928
other
Na1Np3
4
139
94.06
mp-979413
-5.705174
-0.76407
3.886762
other
W3C1
4
139
56.45