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-1187454
-5.075302
-2.828138
3.639278
other
Ti3C1
4
221
50.94
mp-1187023
-6.495331
-6.124447
1.986648
other
Sn3Ge1
4
221
102.88
mp-570018
-6.632941
-5.896817
5.34681
other
Ce3Pb1
4
221
120.13
mp-1211
-7.986934
-6.170088
4.713548
other
Sc1Cd1
2
221
43.85
mp-1206794
-8.240813
-6.197202
2.332235
other
Li1Au1
2
221
29.33
mp-1009018
-7.8618
-6.619728
2.145781
other
In1Ag1
2
221
41.59
mp-21482
-7.51421
-5.629567
4.408155
other
Np1In3
4
221
101.16
mp-1660
-8.512941
-6.727707
5.298594
original
Er1Zn1
2
221
43.17
mp-1009537
-5.436671
-0.384302
3.184096
other
Os1C1
2
221
19.63
mp-1187735
-7.154655
-6.458888
5.879258
other
Y3Bi1
4
221
117.11
mp-2323
-7.650113
-3.534791
4.134446
other
Be1Cu1
2
221
19.09
mp-815
-8.17775
-1.576089
2.608839
other
Ga1Ni3
4
221
44.23
mp-862954
-8.58542
-4.214802
2.466201
other
Pm1Pd3
4
221
71.59
mp-984719
-8.038627
-6.981858
2.285565
other
Be1Ag3
4
221
63.56
mp-1187219
-5.705107
-2.341306
3.637836
other
Ta3Pt1
4
221
69.06
mp-569785
-8.269543
-4.654293
1.85475
other
Tl1Pd3
4
221
66.61
mp-1009007
-6.593381
-5.416959
2.87828
other
Lu1Sb1
2
221
52.36
mp-11365
-5.811279
-3.061556
3.873911
other
Ti3Cu1
4
221
62.48
mp-866286
-6.887028
-7.968396
5.56246
other
Ac1Mg1
2
221
70.39
mp-1185971
-5.311845
-2.999581
4.0568
other
Mg1Ti3
4
221
71.94
mp-1187581
-7.610212
-1.595218
4.41348
other
Tm1Ru3
4
221
64.8
mp-1184771
-7.727331
-1.576017
3.637916
other
Ir3Rh1
4
221
56.64
mp-2621
-8.535926
-6.794387
4.677787
other
Er1Ag1
2
221
45.65
mp-1184431
-7.233998
-6.919947
7.112042
other
Gd3Dy1
4
221
137.76
mp-20503
-7.135587
-7.517037
4.525212
other
Gd1Tl3
4
221
107.02
mp-1187257
-7.228225
-4.13423
3.554983
other
Ta1Zn3
4
221
58.9
mp-1184165
-7.839287
-6.233948
6.027283
other
Er3Ga1
4
221
102.04
mp-19920
-6.639534
-5.70821
5.486538
other
Ce3Ga1
4
221
103.53
mp-30845
-8.062119
-3.306603
2.473658
other
Sm1Pt3
4
221
71.29
mp-976872
-9.043509
-1.243029
2.704104
other
Na1Ni3
4
221
50.79
mp-999446
-5.678073
-2.393175
3.650745
other
Nb3Cr1
4
221
70.77
mp-1603
-7.678934
-4.668187
5.673223
other
Tm1Ga3
4
221
74.08
mp-973342
-8.160215
-2.419302
3.084205
other
Sb1Rh3
4
221
60.65
mp-1008999
-3.450545
-4.031304
-3.22456
other
La1Se1
2
221
51.21
mp-1184230
-7.245564
-0.1332
3.693816
other
Fe3Ag1
4
221
53.84
mp-734
-7.989937
-7.587142
4.248697
other
La1Hg1
2
221
59.22
mp-1187912
-7.920947
-5.652139
3.060827
other
Zn3Se1
4
221
71.31
mp-1183975
-5.552523
-5.342592
3.18311
other
Ga1Ge3
4
221
78.32
mp-973777
-7.090027
-7.203338
1.710093
other
Hg3F1
4
221
86.44
mp-1183622
-6.472532
-6.927217
2.669355
other
Cd3C1
4
221
72.62
mp-1184331
-5.742975
-5.637316
5.389606
other
Er1Pa3
4
221
104.07
mp-977224
-5.093575
-4.471343
0.401447
other
Pr1As3
4
221
89.23
mp-527
-5.402905
-7.018065
3.344086
other
Ba1Cd1
2
221
76.87
mp-21484
-6.258016
-4.252784
3.778499
other
Pu1Ge3
4
221
77.32
mp-1187285
-7.083057
-6.680166
7.018836
other
Tb3Ho1
4
221
127.35
mp-1184417
-7.507041
-6.620941
6.733208
other
Gd3Al1
4
221
111.13
mp-637576
-2.461587
-7.382177
1.797427
other
Mn4N1
5
221
81.13
mp-1185543
-4.069959
-7.00838
1.640623
other
Cs1K3
4
221
348.07
mp-977275
-6.401217
-5.55862
1.202407
other
Lu1Bi3
4
221
120.59
mp-1186760
-6.684635
-6.319002
2.739735
other
Sr1Sn3
4
221
113.74
mp-11374
-7.625353
-7.386852
5.565191
other
Dy1Tl1
2
221
53.28
mp-979936
-5.202641
-7.4423
3.874155
other
Rb1Yb3
4
221
199.52
mp-1186092
-4.977815
-7.206334
3.578768
other
Na3Zr1
4
221
116.16
mp-975199
-4.641766
-7.587685
3.233359
other
Rb1Sr3
4
221
243.83
mp-674
-8.650509
-4.463614
2.449681
original
La1Pd3
4
221
74.23
mp-1064861
6.534273
4.770755
-1.84791
other
Ga1C3
4
221
36.56
mp-836
-8.349545
-6.679726
5.37401
other
Tb1Zn1
2
221
45.22
mp-1092
-8.321987
-7.675561
4.623865
other
Ho1Hg1
2
221
49.68
mp-1186137
-7.329731
-7.612707
1.845259
other
Na1Hg3
4
221
99.94
mp-1094867
-9.110765
-6.210968
3.477762
other
Mg1Zn3
4
221
62.4
mp-506
-8.294592
-4.822773
2.615375
original
Mg1Pd1
2
221
31.42
mp-2800
-5.001852
-3.77082
5.217101
other
U1Si3
4
221
64.24
mp-11475
-8.309275
-7.714708
4.627728
other
Tm1Hg1
2
221
48.4
mp-1007730
-6.498947
-3.196986
5.739093
other
Hf1Al3
4
221
66.89
mp-975439
-5.97997
-0.873137
2.112998
other
Mn3S1
4
221
45.82
mp-1184064
-7.216396
-6.87468
7.276502
other
Dy3Tm1
4
221
124.78
mp-2672345
-8.988088
-5.894861
4.103051
other
Mg2Cu2
4
221
62.85
mp-22784
-8.287824
-1.590442
2.490757
other
In1Ni3
4
221
50.67
mp-20262
-6.021345
-4.59257
2.961322
other
Pu3Pb1
4
221
110.19
mp-866186
-5.673884
-2.976583
3.758117
other
Ti3Zn1
4
221
64.18
mp-1187600
-5.879044
-5.803086
5.413953
other
Yb1Pa3
4
221
101.76
mp-1053
-8.203567
-6.870764
5.429905
other
Nd1Zn1
2
221
49.46
mp-1795
8.973352
2.365844
1.691825
other
Nb1F3
4
221
73.83
mp-1185497
-9.085302
-1.633806
2.827116
other
Lu1Ni3
4
221
54.45
mp-982780
-4.193532
-7.084831
1.932907
other
K3Cd1
4
221
210.95
mp-170
-8.219511
-6.788288
5.365323
other
Ho1Cd1
2
221
50.86
mp-1183439
-7.909119
-3.577218
1.82866
other
Bi1Pt3
4
221
73.38
mp-1263
-7.523403
-1.883739
4.534211
other
U1Ru3
4
221
62.63
mp-2545
-7.578151
-7.52562
3.359061
other
Yb1Hg1
2
221
52.92
mp-976319
-7.200729
-6.893417
6.859329
other
Na1Ho3
4
221
125.42
mp-1183840
-6.314834
-6.136775
6.053003
other
Ce3Er1
4
221
113.55
mp-863720
-8.230172
-4.525816
1.955847
other
Hg1Pd3
4
221
64.94
mp-867165
-6.842337
-7.164734
6.88275
other
Pm3Si1
4
221
106.45
mp-2226
-9.002541
-5.938264
4.868387
other
Dy1Pd1
2
221
42.31
mp-1183984
-6.150371
-2.678429
-2.379651
other
Cu3Te1
4
221
61.47
mp-1185187
-6.810755
-6.791165
3.610558
other
Li3Mo1
4
221
64.73
mp-2195
-8.007524
-8.948408
6.905796
other
Lu1Mg1
2
221
51.29
mp-1018029
-8.676791
-4.500165
2.554113
other
Cu1Pd1
2
221
26.47
mp-1183943
-4.096128
-6.852776
1.677592
other
Cs3Yb1
4
221
359.16
mp-10684
-5.740396
-3.821988
-1.780529
other
Ca1Te1
2
221
60.52
mp-975638
-6.952967
-6.858031
7.369569
other
Pr3Hf1
4
221
127.23
mp-1186551
-7.065922
-6.811316
6.833476
other
Pm1Er3
4
221
125.89
mp-1183183
-6.830453
-6.975456
7.070815
other
Ac1Y3
4
221
143.85
mp-1185429
-6.985231
-6.728506
6.914018
other
Li1Tb3
4
221
117.14
mp-11447
-5.165965
-3.715328
0.89169
other
U1Te1
2
221
52.85
mp-19800
-6.751651
-0.155923
3.449357
other
Fe11Si5
16
221
169.31
mp-1065783
-8.829415
-2.631508
3.677711
other
La1Rh3
4
221
71.5
mp-1094049
-3.022623
1.529549
2.867354
other
Sn1B6
7
221
74.16
mp-21289
-8.361279
-4.953546
4.005862
other
Ti1Zn3
4
221
58.45
mp-1094743
-5.477976
-4.009034
3.908633
other
Mg1Zr1
2
221
43.86