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-1097235
-2.143855
-8.53683
1.559449
other
Mg1Fe1Pt2
4
71
814.51
mp-1095924
-2.647933
-8.337131
1.568112
other
Li1Ga2Cu1
4
71
711.02
mp-1093830
-3.27297
-8.21253
1.661398
other
Sr2Zn1Sn1
4
71
1,633.45
mp-569637
0.504201
0.92772
-3.257411
other
La4C2Cl5
11
71
275.19
mp-1097605
-1.604356
-8.426104
2.272714
other
Al1Tc2W1
4
71
757.88
mp-1097233
-3.285577
-8.682266
1.151214
other
Na1Ga1Hg2
4
71
1,214.68
mp-1098698
-2.463396
-8.334321
1.695
other
Y2Ni1Pt1
4
71
1,733.01
mp-1093897
-2.94838
-8.192761
1.787852
other
Li2La1Al1
4
71
1,280.44
mp-1096267
-2.986933
-8.526999
1.46973
other
Ca1Pb1Au2
4
71
1,175.47
mp-1247730
-1.65325
-8.55406
2.139863
other
Sc1Ru2W1
4
71
740.13
mp-1216159
-7.659106
0.779895
4.782263
other
Y1Cr2Fe10
13
71
165.88
mp-1096293
-1.945445
-8.373522
1.923732
other
Ti2Ga1Cu1
4
71
810.34
mp-1095942
-3.399567
-8.103085
1.614752
other
Sr2Mg1Tl1
4
71
1,863.44
mp-1097276
-2.752613
-8.575432
1.523197
other
La1Ag2Au1
4
71
1,211.99
mp-1095866
-3.401469
-8.302088
1.651693
other
Sr2In1Pb1
4
71
1,854.8
mp-1095802
-2.451763
-8.418338
1.457624
other
Mg1Mn1Pd2
4
71
853.23
mp-1096296
-1.720829
-8.596507
1.902701
other
Li1V1Ru2
4
71
693.88
mp-1095974
-3.175201
-8.177065
1.565504
other
Ca2Zn1Cd1
4
71
1,612.64
mp-1001082
11.424787
7.8627
0.273267
other
Si2C4O4
10
71
130.54
mp-882700
8.913378
1.903477
1.526188
other
K2Ti2F8
12
71
206.43
mp-1093575
-2.630239
-8.491986
1.407019
other
Mn1Cu1Au2
4
71
738.52
mp-1093535
-2.165812
-8.407398
1.99736
other
Zr2Cu1Rh1
4
71
850.19
mp-1093952
-1.658949
-8.267084
2.031294
other
Ti2Ni1Os1
4
71
745.41
mp-1096019
-2.303399
-8.370275
1.833271
other
Sc2In1Os1
4
71
1,072.1
mp-1188555
-7.819395
-6.305997
6.61927
other
Y12Ga2Co4
18
71
447.17
mp-1093675
-2.771428
-8.353965
1.601417
other
Li1Si1Au2
4
71
774.07
mp-1097119
-2.110106
-8.422586
1.662674
other
Al1Ga1Co2
4
71
619.85
mp-1096339
-2.661797
-8.351319
1.736713
other
Y2Ag1Pd1
4
71
1,138.24
mp-1096117
-1.910045
-8.408413
1.930717
other
Al2Tc1Ir1
4
71
744.72
mp-1093955
-3.23019
-8.663232
1.333259
other
Y1Hg2Au1
4
71
1,285.99
mp-1093627
-1.622276
-8.133984
2.331023
other
Ta2Nb1Re1
4
71
814.06
mp-1097078
-2.084093
-8.283354
1.840332
other
Ta1Zn1Ni2
4
71
554.38
mp-1225667
-6.477846
-1.531603
5.128125
other
Dy1Al6Cr6
13
71
194.56
mp-1096260
-2.93937
-8.393548
1.576082
other
Li2In1Pb1
4
71
1,108.22
mp-1095985
-2.534413
-8.495782
1.609427
other
Mg1Ti1Au2
4
71
1,195.52
mp-1095914
-1.568658
-8.270536
2.331808
other
Ti1Cr1Mo2
4
71
904.36
mp-1097206
-2.677347
-8.447281
1.680119
other
Sc2Ag1Sn1
4
71
1,013.79
mp-38637
10.926767
11.262708
-2.69114
other
Rb1W6O18
25
71
362.24
mp-1097532
-2.161298
-8.518516
1.384056
other
Mg1Zn1Pt2
4
71
846.98
mp-1096668
-2.674112
-8.52333
1.326676
other
Al1Ag1Au2
4
71
891.35
mp-1093957
-1.774912
-8.424244
2.17155
other
Zr2Tc1Os1
4
71
833.17
mp-1097569
-1.901397
-8.410256
2.19271
other
Zr2Nb1Pt1
4
71
896.71
mp-1097463
-2.554235
-8.418972
1.570904
other
Li1Zn1Cu2
4
71
612.73
mp-1093752
-1.960477
-8.322631
1.718817
other
Ti1Ge1Rh2
4
71
671.77
mp-1097449
-1.764223
-8.246511
2.270364
other
Hf2Al1Mo1
4
71
936.77
mp-1093906
-2.796723
-8.447913
1.4637
other
La1Bi1Pd2
4
71
1,125.57
mp-1097115
-3.361503
-8.362849
1.223085
other
Tl1Cd2Bi1
4
71
1,277.64
mp-1093574
-1.844485
-8.403975
2.210748
other
Hf2Ti1Ir1
4
71
851.93
mp-1096631
-2.635766
-8.524762
1.305813
other
Hg1Pd2Pb1
4
71
1,029.66
mp-1097619
-1.560233
-8.621968
1.936554
other
Zn1Mo1Ru2
4
71
686.97
mp-1097498
-2.65834
-8.378612
1.359046
other
Mg2Cd1Sn1
4
71
1,114.79
mp-1095748
-2.955242
-8.411686
1.278243
other
Mg2Cd1Hg1
4
71
1,163.39
mp-1223876
8.34851
1.034859
1.675169
other
K2Th1F6
9
71
157.99
mp-1097519
-3.486978
-8.108677
1.823843
other
Na1Sr2Li1
4
71
2,175.1
mp-1104172
-7.908465
-5.475878
4.86126
other
Er3Ga8Ag3
14
71
267.85
mp-11352
-7.472194
-3.304785
5.531178
other
Pr1Al5Ni2
8
71
133.64
mp-1093761
-1.926994
-8.409644
1.993832
other
Sc2Os1Ru1
4
71
808.17
mp-1096177
-1.792184
-8.304107
2.00172
other
Ti2Cu1Ir1
4
71
733.3
mp-1093599
-1.636207
-8.384637
2.23691
other
Si1Tc2Mo1
4
71
729.21
mp-1225823
-8.971047
-5.234516
3.724855
other
Dy1In6Cu6
13
71
233.98
mp-752474
9.031075
2.830601
1.515098
other
Nb1O1F2
4
71
62.97
mp-1096453
-2.511727
-8.546012
1.480163
other
Cu1Pd2Au1
4
71
771.41
mp-1104155
-7.847629
-5.530031
4.951631
other
Y3Ga8Ag3
14
71
271.32
mp-1095740
-1.752667
-8.227807
2.24689
other
Mn1Nb2Re1
4
71
813.76
mp-1096521
-2.222879
-8.30679
1.821843
other
Al2Fe1Cu1
4
71
746.25
mp-1095965
-2.713061
-8.479035
1.588613
other
Y1Zn2Au1
4
71
1,157.22
mp-1220585
-7.624304
0.794211
4.857985
other
Nd1Mn2Fe10
13
71
168.02
mp-1095980
-3.537919
-8.019397
1.661137
other
Ba1Ca1Tl2
4
71
1,789.46
mp-1217840
-6.963331
0.080321
5.089185
other
Tb1Al6Fe6
13
71
184.14
mp-1097471
-1.658902
-8.430553
2.176183
other
Zr1V1Tc2
4
71
775.39
mp-1093635
-1.663541
-8.345371
2.133723
other
Nb1Tc2Sb1
4
71
824.21
mp-1097107
-2.451657
-8.568443
1.830311
other
Hf1Zr1Hg2
4
71
1,183.62
mp-1097383
-3.301525
-8.679481
1.241272
other
Sr1Sn1Hg2
4
71
1,475.67
mp-10076
-7.609643
-2.08144
3.276226
other
Hf3Ni4Ge4
11
71
160.83
mp-1096701
-2.137131
-8.45013
1.581843
other
Ga2Co1Ir1
4
71
728.25
mp-1093572
-1.416476
-8.542911
2.329587
other
V1Mo1W2
4
71
1,028.09
mp-1095882
-1.694755
-8.291966
2.16616
other
Ti1V2Mo1
4
71
846.79
mp-1093587
-3.020412
-8.500271
1.722269
other
La2Hg1Au1
4
71
1,359.32
mp-1096699
-2.60344
-8.519845
1.628323
other
Hf1Pd1Au2
4
71
945.79
mp-1097145
-2.338559
-8.485392
1.700607
other
Mg1Ti1Cu2
4
71
751.44
mp-1097672
-4.06701
-7.342203
1.547062
other
Cs2Hg1Te1
4
71
1,941.91
mp-1097637
-2.804064
-8.568703
1.271998
other
Zn1Cd1Au2
4
71
967.45
mp-1402653
8.767545
1.380512
1.37129
other
Y1Mn1F5
7
71
118.8
mp-1096537
-3.090171
-8.449246
1.492443
other
Li1Ca1Pb2
4
71
1,436.19
mp-1097640
-2.01055
-8.303804
2.063386
other
Si1Tc2As1
4
71
684.06
mp-1096336
-2.909436
-8.363175
1.646038
other
Ca1Y1Ag2
4
71
1,346.39
mp-1096266
-3.149101
-8.354175
1.805745
other
La2Cd1Pb1
4
71
1,854.65
mp-1097291
-2.772555
-8.451657
1.693775
other
Y2Ga1Hg1
4
71
1,271.45
mp-1093566
-3.619598
-7.953682
2.273548
other
Ba1Sr1Ca2
4
71
2,498.98
mp-1097555
-1.726307
-8.240424
2.162146
other
Ta2Co1Os1
4
71
999.59
mp-1096688
-3.584464
-7.751565
1.715022
other
Ba2Li1Tl1
4
71
2,019.5
mp-1095888
-3.545322
-8.477177
1.2837
other
Tl1Hg1Pb2
4
71
1,421.54
mp-1096340
-3.402098
-8.680246
1.006111
other
Na1Hg2Bi1
4
71
1,301.26
mp-1096106
-3.236733
-8.120238
1.667585
other
Sr2Cd1Ga1
4
71
1,593.39
mp-1096387
-1.940087
-8.339086
1.800729
other
Sc1Ti1Rh2
4
71
730.1
mp-1093822
-2.482242
-8.504964
1.548078
other
Sc1Pd2Pb1
4
71
1,016.22
mp-1095953
-2.377088
-8.601815
1.355591
other
Zn2Pt1Au1
4
71
786.68
mp-1095776
-3.237694
-8.594236
1.284552
other
Li1Cd2Hg1
4
71
1,153.15
mp-1194174
-7.56779
-1.006268
5.763675
other
Er9Fe10Ge10
29
71
501.98
mp-1093560
-2.555082
-8.337497
1.644706
other
Li1Y1Pd2
4
71
998.21