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-11411
-7.96222
-4.885475
5.126836
other
Sc2Ga2
4
63
79.86
mp-21188
-7.425206
-4.868839
4.925729
other
Ce2Ni2
4
63
81.61
mp-1195862
-9.093279
-4.793655
3.279082
other
Cu30Sn10
40
63
584.02
mp-27488
1.558118
1.987042
2.30858
other
Ta6N10
16
63
205.6
mp-1043300
7.592315
10.450781
-3.794821
other
Cr4O10
14
63
234.99
mp-21245
-8.023012
-4.478903
4.074537
other
Ce2Pt2
4
63
96.63
mp-1094279
-6.086912
-10.7317
5.672889
other
Sr2Mg4
6
63
191.74
mp-29141
-7.055284
-2.259898
4.004432
other
Re6Ge14
20
63
323.17
mp-1207757
-7.465948
-7.433912
5.260074
other
Y6Tl10
16
63
426.99
mp-1094335
-4.867281
-7.476248
3.532852
other
Sr4Mg2
6
63
265.69
mp-863701
-7.566677
-6.761467
6.640836
other
Ho4Mg2
6
63
169.37
mp-865078
-7.415962
-6.903348
6.527088
original
Gd4Mg2
6
63
178.89
mp-1065301
-7.992995
-5.712788
6.033431
other
Tm2Ga2
4
63
90.22
mp-1212891
-6.769138
-6.541143
2.872598
other
Eu6Sn10
16
63
469.99
mp-8057
12.770254
11.381851
1.966269
other
Ti6O10
16
63
185.55
mp-22231
-5.509525
-3.545218
-0.597817
other
U2Te6
8
63
252.31
mp-540782
-5.831574
-1.588826
2.147701
other
V16As12
28
63
418.82
mp-1084830
-6.86714
-4.897024
5.606765
other
La4Ge4
8
63
215.25
mp-1072922
-7.203837
-5.686207
3.774313
other
Tb2Sn4
6
63
158.26
mp-2499
-3.895995
-5.655235
5.140109
other
Ba2Si2
4
63
127.65
mp-567833
-6.666875
-6.765984
3.012696
other
Eu2Sn2
4
63
130.1
mp-1043381
9.860232
10.137852
-1.36147
other
Sb4O10
14
63
191.51
mp-11427
-8.749844
-5.996139
4.767329
other
Gd2Pd2
4
63
91.57
mp-560941
15.628338
5.640907
0.352133
other
Si32O64
96
63
2,048.12
mp-1184542
-6.506706
-6.522734
4.245004
other
Eu6Ga10
16
63
374.62
mp-12751
-6.485545
-4.061432
2.887367
other
Pu2Ni2
4
63
77.63
mp-20353
-7.883875
-6.366228
6.102656
other
Gd2Ga2
4
63
97.61
mp-560826
15.666802
5.658472
0.371296
other
Si12O24
36
63
652.55
mp-19937
-4.860404
-4.386399
5.44558
other
Np4Si4
8
63
165.13
mp-570934
-8.376651
-4.897592
4.451788
other
Nd2Pt2
4
63
96.52
mp-864888
-7.56264
-6.862511
6.814157
other
Dy4Mg2
6
63
171.7
mp-1094697
-7.280512
-10.699876
4.713635
other
Mg4Cd2
6
63
126.83
mp-1018077
-8.123755
-5.572306
5.849819
other
Er2Ga2
4
63
91.58
mp-1046050
11.780396
12.203033
0.051108
other
Cr10O14
24
63
279.91
mp-1007918
-9.132416
-6.474327
3.738282
other
Dy2Au2
4
63
93.99
mp-1007922
-1.287167
2.401846
-3.031442
other
Cu2I2
4
63
119.34
mp-11404
-7.848597
-6.15445
6.049587
other
Pr2Ga2
4
63
107.78
mp-1080094
-7.42435
-7.749549
2.107269
other
Sr2Hg6
8
63
228.31
mp-23293
1.056093
1.759086
-4.912557
other
Tb2Cl6
8
63
197.93
mp-18192
-6.495844
-6.531234
2.986053
other
Sr6Sn10
16
63
508.24
mp-1470
11.327959
11.716789
2.661994
other
Nb24O58
82
63
1,205.72
mp-1038840
-5.175168
-7.354936
3.974986
other
Ca4Mg2
6
63
208.71
mp-1096967
10.25221
0.542835
0.227367
other
Fe6F18
24
63
347.58
mp-1002107
-8.448433
-5.102221
5.69622
other
La2Rh2
4
63
94.44
mp-1094586
-5.766653
-7.124318
3.513331
other
Li4Mg2
6
63
122.69
mp-1188416
-8.067685
-6.330361
5.48537
other
Tb6In10
16
63
412.83
mp-636284
10.667344
11.129266
-3.038966
other
W4O12
16
63
224.42
mp-1698
-6.153556
-6.852968
3.074559
other
Sr2Sn2
4
63
139.85
mp-1104010
-5.900934
-3.407567
-1.760055
other
Cs4Te10
14
63
629.18
mp-20439
-6.804861
-4.894583
5.600648
other
Ce4Al4
8
63
191.05
mp-1182900
7.554311
8.525616
-2.748893
other
Al4O8
12
63
122.74
mp-1182832
-2.830834
-8.367509
1.66578
other
Eu6Ge10
16
63
5,663
mp-1094195
-7.055507
-6.494915
6.228588
other
La4Mg2
6
63
190.67
mp-1207605
-4.353238
-5.150281
5.661564
other
Yb8Si14
22
63
462.86
mp-1002115
-8.449826
-6.040044
4.558914
other
La2Pd2
4
63
102.44
mp-542709
-4.036194
-4.858634
5.92624
other
Eu2Si12
14
63
264.58
mp-1001613
-8.002532
-5.653586
5.969629
other
Lu2Ga2
4
63
87.82
mp-1193435
-5.885502
-7.033983
2.691687
other
Na18Sn8
26
63
721.83
mp-11322
-5.141157
-3.348505
4.524942
other
Zr2Si2
4
63
70.47
mp-1066136
-8.873144
-5.887111
4.657543
other
Y2Pd2
4
63
89.38
mp-862915
-7.36961
-6.984532
6.490151
other
Er4Mg2
6
63
167.13
mp-9969
-4.913051
-3.828779
5.741774
other
Sc2Si2
4
63
72.56
mp-2168
-4.474685
-3.043203
-4.107583
other
Sn2Se2
4
63
109.59
mp-20122
-6.981396
-4.435775
5.611504
other
Dy2Ge2
4
63
89.78
mp-1041961
9.124824
13.462813
-1.992758
other
Cr2O4
6
63
80.75
mp-1007881
-6.447004
0.765266
3.65313
other
Fe2B2
4
63
32.17
mp-1185775
-3.102189
-4.146341
0.726553
other
Mg4P2
6
63
113.54
mp-1074714
-3.745443
-8.387458
7.093483
other
Mg4Si2
6
63
113.35
mp-1096799
7.452801
8.534468
-2.674208
other
Al2O4
6
63
58.64
mp-11306
-7.931005
-7.312049
3.927818
other
Lu2Cd6
8
63
179.47
mp-1018056
-7.345316
-3.254441
3.943275
other
Hf2Ni2
4
63
63.52
mp-2214803
11.792823
13.720848
-2.326531
other
V8O16
24
63
332.76
mp-1094613
-7.010542
-10.631567
5.130235
other
Mg4Ga2
6
63
126.25
mp-1052892
-1.111786
2.238624
-2.893425
other
V2I6
8
63
364.96
mp-1047643
9.301808
13.314715
-2.174897
other
Cr4O8
12
63
135.68
mp-1094671
-7.061811
-10.67807
5.072929
other
Mg4Ga2
6
63
124.33
mp-1094483
-8.532824
-7.127048
3.615688
other
Mg2Zn4
6
63
101.91
mp-36216
-4.005529
-1.225484
-5.366863
other
Ag4S2
6
63
123.28
mp-1065995
-7.814724
-3.902053
3.475289
other
Zr2Pt2
4
63
76.51
mp-1007666
-9.15312
-6.486044
3.78231
other
Ho2Au2
4
63
92.82
mp-1563
-4.106815
-5.290266
5.450365
other
Ca2Si2
4
63
95.09
mp-1094642
-6.960997
-10.491043
5.04979
other
Mg4Ga2
6
63
119.45
mp-1206669
7.145419
8.799822
-1.485365
other
Rb2O2
4
63
88.3
mp-1047621
12.841401
10.903246
-0.799036
other
Mo4O8
12
63
168.43
mp-1168
-5.750414
-2.805732
-1.657504
other
Hf2Te10
12
63
424.78
mp-1046095
6.644152
12.533959
-1.42907
other
Ni10O14
24
63
242.67
mp-1198253
-7.295969
-0.917464
4.557108
other
Yb4Mn34
38
63
501.73
mp-1515
-5.289702
-3.396612
4.726373
other
Zr2Si4
6
63
100.61
mp-1046082
7.023767
13.124311
-1.885521
other
Co10O14
24
63
273.58
mp-1077545
5.650172
2.606619
-2.982491
other
Ca2C4
6
63
77.45
mp-1039345
-7.618671
-8.560385
6.187388
other
Ce2Mg4
6
63
144.11
mp-12684
-7.137391
-5.723177
6.207295
other
La4Al4
8
63
211.97
mp-1046809
7.041708
9.494757
-1.946164
other
Ag8O12
20
63
283.51
mp-303
-8.786533
-6.028883
3.855759
other
Ba2Zn10
12
63
237.43
mp-1106000
-7.337442
-7.338152
5.059032
other
La6Tl10
16
63
493.06
mp-1018086
-8.339348
-5.293999
3.85521
other
Ce2Pd2
4
63
98.37
mp-1077191
-6.438123
-7.3045
3.088055
other
Li4Tl2
6
63
112.9
mp-1018175
-8.490627
-5.927518
3.318347
other
Th2Au2
4
63
104.41
mp-1189377
-7.416748
-7.415833
5.115581
other
Pr6Tl10
16
63
464.51
mp-999141
-9.130623
-6.49817
3.631266
other
Tb2Au2
4
63
95.3