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-1097112
-3.543418
-7.986973
1.61839
other
Ba1Na1Tl2
4
71
1,878.78
mp-1097081
-1.838547
-8.316044
2.045725
other
Al2Fe1Tc1
4
71
812.53
mp-1097322
-2.50518
-8.291775
1.556548
other
Li2Ge1Pt1
4
71
782.65
mp-1097202
-3.221518
-8.183113
1.570961
other
Ca2Tl1Zn1
4
71
1,580.77
mp-1096472
-2.571785
-8.391334
1.52818
other
Mg1Ga1Cu2
4
71
747.48
mp-1097492
-3.105172
-8.12959
1.768113
other
Sr2Pd1Pt1
4
71
1,210.81
mp-1216052
-2.69477
-3.70818
-4.02961
other
Y3Si1S2
6
71
135.55
mp-1212102
-8.052641
-4.560742
3.565419
other
Ho4Ge8Pd4
16
71
305.19
mp-1093762
-3.625613
-7.848504
1.49206
other
K1Na2Pb1
4
71
1,417.11
mp-7068
-4.224171
-5.65524
5.230086
other
Sr3Al2Si2
7
71
195.68
mp-1097423
-2.82713
-8.182487
1.928857
other
Y2Si1Pd1
4
71
1,058.92
mp-1093681
-2.958751
-8.441747
1.42072
other
Ca1In1Ag2
4
71
1,436.75
mp-1096029
-3.026182
-8.469524
1.386097
other
Ca1Ag2Pb1
4
71
1,263.58
mp-1096236
-3.623466
-7.788618
1.706939
other
Ba2Ga1Hg1
4
71
1,804.5
mp-1096562
-3.18714
-8.076654
1.653884
other
Ca2Zn1Ga1
4
71
1,262.88
mp-1097111
-3.200871
-8.180709
1.665041
other
Na1Y1Tl2
4
71
1,545.14
mp-1095994
-2.070456
-8.54739
1.768749
other
Sc1Sn1Ir2
4
71
810.41
mp-1093856
-2.34711
-8.514015
1.586676
other
Mg1Ti1Zn2
4
71
971.14
mp-1096053
-3.391833
-8.176288
1.511438
other
Na1Sr1Tl2
4
71
1,745.58
mp-1096367
-2.389477
-8.381995
1.720827
other
Sc2Ni1Pd1
4
71
982.83
mp-1096126
-1.809845
-8.362456
2.053436
other
Al1Tc2Ge1
4
71
764.3
mp-1097357
-2.579103
-8.324742
1.737999
other
Y2Cu1Pt1
4
71
1,012.23
mp-1096504
-3.293709
-8.065728
1.746161
other
Sr2Li1Pd1
4
71
1,423.52
mp-1095989
-2.201852
-8.46243
1.53135
other
Zn1In1Ir2
4
71
879.6
mp-1213291
-8.212467
-6.613645
6.780073
other
Dy12In2Co4
18
71
446.26
mp-1093551
-2.484472
-8.497036
1.475466
other
Mg1Pd2Au1
4
71
861.16
mp-1210681
-8.347435
-6.429227
6.520762
other
Lu12In2Co4
18
71
416.93
mp-1223956
-2.55423
-2.67693
-5.665858
other
Ho2Te1S2
5
71
147.84
mp-1101450
8.656975
2.053985
0.476697
other
Nb1O1F3
5
71
70.08
mp-1093987
-3.02602
-8.194006
1.876494
other
La2Mg1In1
4
71
1,395.98
mp-1097568
-2.081124
-8.435186
1.641401
other
Mg1Zr1Pt2
4
71
877.19
mp-1207776
-7.590538
-3.905274
3.573415
other
Y3Co6Sn5
14
71
257.18
mp-1093869
-1.61816
-8.556342
1.931529
other
Mg1Mo1Ru2
4
71
858.7
mp-1068002
-7.759833
-5.066492
3.45449
other
Ca2Mg1Pt2
5
71
110.09
mp-1096248
-1.609062
-8.329392
1.954709
other
Ti2Ru1Rh1
4
71
657.65
mp-1188410
-7.900272
-2.970942
4.878963
other
Dy4Ge8Ir4
16
71
301.57
mp-1097453
-3.610037
-7.732478
1.712525
other
Ba2Na1Cd1
4
71
2,214.11
mp-1216148
-6.952403
0.099003
5.059106
other
Y1Al6Fe6
13
71
183.8
mp-9999
-5.671307
0.372304
3.23699
other
Ni1B2Mo2
5
71
51.12
mp-1095907
-2.563901
-8.522825
1.687882
other
Hf1Cr1Au2
4
71
985.16
mp-1096585
-2.478493
-8.215734
1.511821
other
Li1Mg2Ir1
4
71
978.77
mp-1221455
2.47276
2.24604
-4.317507
other
Mo1Cl2O1
4
71
92.9
mp-1097290
-2.433057
-8.481231
1.515978
other
Cu2Pd1Pt1
4
71
547.11
mp-1102161
-7.482918
-4.839698
3.922456
other
Nd3Mn4Sn4
11
71
259
mp-1095750
-1.564501
-8.190032
2.311959
other
Ta2Mo1Ir1
4
71
752.82
mp-1093876
-2.797136
-8.273331
1.484923
other
Ca1Tl1Pd2
4
71
1,068.94
mp-1104959
-7.506776
0.083059
4.808063
other
Er1Ga6Fe6
13
71
184.62
mp-1093977
-1.57867
-8.174389
2.354561
other
Ta1Nb2W1
4
71
822.3
mp-1093820
-2.974236
-8.147351
1.662911
other
Ca2Cu1Rh1
4
71
1,031.57
mp-1216958
-7.081437
0.014546
5.062587
other
U1Al6Fe6
13
71
182.17
mp-1225356
-7.528496
0.814288
4.719481
other
Dy1V2Fe10
13
71
167.45
mp-1097273
-2.3717
-8.283207
1.495792
other
Mg2Zn1Ir1
4
71
933.49
mp-1093581
-2.687757
-8.483008
1.646296
other
Zr1Cu1Au2
4
71
915.31
mp-1096185
-1.680953
-8.330921
2.052205
other
Ti2Cu1Os1
4
71
734.6
mp-1093896
-4.062948
-6.379403
1.034108
other
Cs2Au1I1
4
71
1,753.38
mp-1096187
-1.538796
-8.275834
2.307057
other
Ti2V1Mo1
4
71
703.22
mp-1097219
-1.775012
-8.294123
2.045576
other
Ti2Mn1Cu1
4
71
707.87
mp-1093969
-2.541343
-8.316357
1.698168
other
Li1Sc1Ga2
4
71
954.42
mp-542824
-7.77834
-6.159718
3.483943
other
Ce3Ag4Sn4
11
71
274.02
mp-1096001
-2.867989
-8.290088
1.548335
other
Li2Cd1Ga1
4
71
960.15
mp-1093816
-1.810526
-8.399487
2.129337
other
Hf2Fe1Ru1
4
71
670.16
mp-31423
-5.276814
-4.118052
5.411607
other
Ho3Cu4Si4
11
71
180.86
mp-1102518
-5.272856
-4.108825
5.451708
other
Tm3Cu4Si4
11
71
177.07
mp-1212512
-5.438884
-2.896522
3.745786
other
Hf27Si6P10
43
71
786.58
mp-1096272
-1.696195
-8.284457
2.172227
other
Mn1Nb2Ru1
4
71
577.42
mp-1225375
-7.327716
0.672964
4.592689
other
Dy1Fe10Si2
13
71
164.18
mp-1104332
-8.256691
-5.455173
4.329123
other
Er3Ga8Au3
14
71
265.78
mp-1205497
-8.116882
-5.419452
3.288596
other
Sm3Cu4Sn4
11
71
234.02
mp-1096307
-1.90222
-8.459853
2.137962
other
Zr2Fe1Ru1
4
71
713.14
mp-755974
8.430612
9.81585
0.062947
other
Na2Cu1O2
5
71
67.68
mp-1095788
-2.710518
-8.319547
1.803326
other
Y2Al1Ag1
4
71
1,265.37
mp-1097094
-1.727102
-8.453052
1.998345
other
V2Mo1Ir1
4
71
637.57
mp-1093970
-1.767092
-8.246568
2.182535
other
Hf2Ni1Mo1
4
71
1,033.36
mp-1096330
-3.364607
-8.768914
1.134362
other
Li1Ag1Hg2
4
71
1,023.36
mp-1093546
-2.767251
-8.442422
1.805211
other
Y2Al1Hg1
4
71
1,328.55
mp-1097092
-2.546445
-8.333028
1.688691
other
Y2Ag1Rh1
4
71
1,161.19
mp-1093573
-1.871309
-8.475821
2.206819
other
Zr2Re1Ir1
4
71
839.46
mp-580930
-7.883106
-2.998184
4.851221
other
Y4Ge8Ir4
16
71
303.31
mp-1093956
-3.131105
-8.471393
1.320261
other
Tl1In2Hg1
4
71
1,284.54
mp-1101768
-8.761242
-5.522873
3.699056
other
La3Zn4Pd4
11
71
225.45
mp-1096747
-2.086569
-8.478718
1.605535
other
Zn1Ge1Rh2
4
71
702.48
mp-1096399
-2.851252
-8.318279
1.578726
other
Ca2Pt1Au1
4
71
1,142.01
mp-1097641
-2.158334
-8.375826
1.661417
other
Li1Ga1Ir2
4
71
741.12
mp-1097268
-2.772892
-8.444221
1.354356
other
Mg2Sn1Hg1
4
71
1,093.25
mp-1097351
-1.538916
-8.335946
2.236147
other
Nb1V2Re1
4
71
700.67
mp-1095826
-2.500118
-8.453028
1.406507
other
Mn1Cd1Pd2
4
71
884.59
mp-1097447
-2.123083
-8.333225
1.792519
other
Li1Be2Rh1
4
71
561.09
mp-1251595
-2.308124
-8.3796
1.637266
other
Al2Cu1Pd1
4
71
488.8
mp-1097539
-2.638388
-8.455096
1.361066
other
Ag1Pd2Pb1
4
71
1,013.46
mp-1095759
-2.030287
-8.353444
1.831024
other
Mn2Cr1Ru1
4
71
794.01
mp-1097244
-1.963924
-8.371122
1.927309
other
Ti1Mn2Cr1
4
71
745.64
mp-546226
7.46325
9.503336
-0.233071
other
Ca2Cu1O3
6
71
101.55
mp-1096457
-1.956555
-8.286389
2.172879
other
Hf2Re1Ag1
4
71
1,013.43
mp-1087505
-4.669986
1.444387
3.184424
other
U1Fe2B6
9
71
78.24
mp-1095898
-2.527405
-8.267591
1.748255
other
Sc2Ge1Pd1
4
71
895.72
mp-766122
11.576502
11.92097
0.194306
other
Mg3Mn4O7
14
71
150.67
mp-1096111
-2.71573
-8.511558
1.534873
other
Sc1Mn1Au2
4
71
1,159.21
mp-1093828
-1.873869
-8.355202
2.144438
other
Hf2V1Ir1
4
71
813.77
mp-1095937
-4.024407
-7.249869
1.674707
other
Rb2Hg1Se1
4
71
1,654.43
mp-1096004
-1.864012
-8.253796
2.195172
other
Hf2Nb1In1
4
71
1,066.43