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-569310
-6.440796
-1.004146
2.797259
other
Sr1P2Os2
5
139
93.89
mp-1069937
-6.494031
-3.239343
1.049087
other
Ba1Sb2Ru2
5
139
125.18
mp-22639
-5.618694
-1.714156
0.978344
other
U1Ni2P2
5
139
71.36
mp-1078720
3.603262
3.533157
-3.988585
other
Pt1N4Cl4
9
139
168.07
mp-3701
-7.121967
-0.642632
5.804122
other
Sc1Al8Fe4
13
139
183.84
mp-3882
-5.727307
-3.027537
5.764639
other
Sm1Si2Rh2
5
139
83.31
mp-3939
-5.408548
-3.444449
5.414829
other
Sm1Si2Ni2
5
139
76.24
mp-5105
-5.802417
-2.475907
5.99506
other
La1Si2Ru2
5
139
89.37
mp-1205709
8.095579
0.760951
1.392306
other
K3Tb1F6
10
139
237.49
mp-1208588
-8.26855
-0.741795
4.370111
other
Tb1Ga4Co8
13
139
173.09
mp-726132
2.455414
2.90719
-4.075191
other
Ta2N4Cl10
16
139
479.04
mp-1216744
-7.758627
-4.057632
5.566135
other
U1Al8Cu4
13
139
203.98
mp-4999
-7.952624
-2.504266
5.231222
other
Nd1Co2Ge2
5
139
81.56
mp-4692
-5.418156
-3.431361
5.368629
original
Dy1Si2Ni2
5
139
73.57
mp-753330
6.803209
11.289565
1.686674
other
Ba2Mn1O4
7
139
109.58
mp-1069160
-2.779183
0.158745
2.640452
other
U2Ru1C2
5
139
74.41
mp-4469
-5.49846
-3.378578
5.305096
other
Tm1Si2Ni2
5
139
72.03
mp-3997
-5.211129
-3.972534
5.536886
other
Sm1Cu2Si2
5
139
80.12
mp-1212817
-7.351442
0.428041
5.041749
other
Er1Al4Fe8
13
139
178.21
mp-1103844
-6.845218
-1.670091
5.976436
other
Ho1Mn4Al8
13
139
201.57
mp-5284
-5.642493
-2.073067
5.156795
other
U1Cr2Si2
5
139
78.54
mp-5983
-7.876428
-2.261627
5.137674
other
Tm1Co2Ge2
5
139
75.75
mp-10259
-5.786236
-1.301555
1.240463
other
Zr1Ni2P2
5
139
65.58
mp-21113
-7.370469
-0.768008
5.399857
other
Y1Fe2Ge2
5
139
83.53
mp-1096246
-1.869775
-8.314772
2.157861
other
Hf2Mn1Fe1
4
139
1,080.91
mp-4633
-5.603082
-4.102556
4.769609
other
Yb1Si2Pd2
5
139
87.6
mp-9473
-5.433739
-1.77024
0.89747
other
Ba1Ni2P2
5
139
92.33
mp-21033
-8.091521
-4.661174
3.222749
other
La1Ge2Pd2
5
139
97.34
mp-1216630
1.546811
1.462926
2.692398
other
U4Si1N3
8
139
130.44
mp-569931
-5.660666
-1.683904
0.802054
other
Pr1Ni2P2
5
139
74.87
mp-1206434
-8.785998
-4.745095
4.661401
other
Nd1Ga2Cu2
5
139
88.14
mp-1025208
10.919279
8.716825
1.864889
other
Cs2Pu1O4
7
139
142.01
mp-1077875
7.430366
10.528305
0.87795
other
Sr2Rh1O4
7
139
95.29
mp-13649
8.29423
0.473399
0.586148
other
Cs2Ag1F4
7
139
144.29
mp-1192149
-3.901168
1.730852
3.046092
other
Ho4Ni4B16
24
139
237.54
mp-1104839
-6.643073
-1.886397
5.923069
other
La1Al8Cr4
13
139
208.28
mp-865177
-3.834842
1.737503
3.017086
other
Gd4Ni4B16
24
139
244.96
mp-1067935
11.294547
8.156878
2.757268
other
Ho2Sb1O2
5
139
95.87
mp-4441
-7.95841
-4.868591
4.090627
other
Ca1Cu2Ge2
5
139
86.13
mp-1070557
2.678114
-0.461755
-1.658925
other
Zr2H2Pd1
5
139
65.33
mp-984726
-8.060501
-3.961689
5.313456
other
Dy1Al8Cu4
13
139
193.71
mp-20177
-5.627335
-1.77037
5.417336
other
Pu1Fe2Si2
5
139
72.11
mp-7617
8.093682
0.712705
1.480919
other
Rb3Y1F6
10
139
248.24
mp-1220338
-8.07233
-5.483555
5.273758
other
Nd1Zn2Ga2
5
139
93.95
mp-12079
-5.357826
-1.061177
-4.434601
other
K1Co2S2
5
139
92.13
mp-3349
9.599947
10.744026
3.396829
other
Sr3Ti2O7
12
139
155.59
mp-1212423
-8.059007
-6.506848
6.469634
other
Ho12In3Fe2
17
139
459.54
mp-1206600
-6.129612
-2.356743
1.186097
other
K1As2Ru2
5
139
107.8
mp-12716
-8.005634
-5.460691
2.263932
other
Li1Tl1Pd2
4
139
64.8
mp-11037
-7.093282
-0.676066
5.797204
other
Lu1Al8Fe4
13
139
186.37
mp-7469
8.443389
10.056013
-0.127574
other
Na4Cu4O4
12
139
177.46
mp-1207198
-6.699732
-5.58158
3.953299
other
Yb1Zn2Ge2
5
139
97
mp-1205688
-5.711252
-3.270617
0.90361
other
Pr2P4Pt4
10
139
177.9
mp-10454
-6.02071
-3.509477
4.579226
other
Sm2Ti2Ge2
6
139
130.33
mp-8818
1.673679
1.710382
1.391415
other
Ca2Zn1N2
5
139
80.42
mp-1206129
-6.099344
-2.368429
1.21708
other
Rb1As2Ru2
5
139
114.38
mp-9321
-3.181174
-1.679331
-5.384574
other
Ba2Hf1S4
7
139
194
mp-21326
8.748889
10.24288
2.206529
other
La2Ni1O4
7
139
96.4
mp-21133
-6.962804
-1.598431
5.739252
other
Np1Mn2Ge2
5
139
81.62
mp-23521
1.445055
2.526192
-5.648648
other
Rb2Cr1Cl4
7
139
187.72
mp-29206
-5.556087
-5.457519
0.685054
other
Ba2Mn2Sb4
8
139
248.73
mp-5267
-7.88952
-4.035672
5.374238
other
Np1Al8Cu4
13
139
194.37
mp-1206153
10.307577
9.362803
3.554389
other
Eu2Zr1O4
7
139
109.55
mp-5486
-5.074245
-4.175472
5.291749
other
Ca1Cu2Si2
5
139
80.24
mp-22066
-7.999861
-4.307088
4.438635
other
Dy1Cu2Ge2
5
139
82.84
mp-769277
7.56514
8.595356
-1.467791
other
Yb2Te1O2
5
139
105.56
mp-1147641
9.161904
0.563787
0.249895
other
Na2Cu1F4
7
139
91.13
mp-23003
11.46249
8.271594
2.8778
other
Ce2Bi1O2
5
139
107.41
mp-1211236
-6.779009
-8.904044
6.111829
other
La1Mg8Al4
13
139
283.34
mp-22233
-7.358748
-1.671883
3.979809
other
Zr8Co8Ge14
30
139
451.65
mp-20110
-7.832458
-4.043711
3.45208
other
Ce1Ge2Pt2
5
139
96.75
mp-1207061
-5.917243
-5.54138
4.969173
other
Ba1Al2Ga2
5
139
112.69
mp-753314
7.534768
8.739435
0.076332
other
Eu2Se1O2
5
139
98.61
mp-3456
-5.186541
-3.945097
5.450286
other
Tb1Cu2Si2
5
139
77.99
mp-1232320
1.675505
2.053605
-1.40176
other
Cu1Hg2N2
5
139
78.6
mp-4881
-5.47762
-3.356936
5.317565
other
Er1Si2Ni2
5
139
72.46
mp-1215492
-2.825904
-2.874795
-5.191833
other
Yb4Sm1S5
10
139
226.41
mp-1077443
-6.199728
-5.164093
2.330253
original
Nd2Sc2Sb2
6
139
165.91
mp-1225710
-0.290113
1.477665
-4.582769
other
Cu4Br3Cl1
8
139
150.74
mp-18924
7.254933
11.123733
1.032067
other
Sr3Fe2O6
11
139
151.49
mp-3893
-7.66376
0.940547
4.056707
other
Tb1Co2B2
5
139
59.04
mp-1206584
-4.985737
-4.648594
6.064353
other
Pr2Sc2Si2
6
139
156.71
mp-16250
-5.351679
-4.441431
5.036677
other
Th1Si2Au2
5
139
95.8
mp-1223727
-5.995034
-3.49032
-2.276961
other
In1Te5Pb4
10
139
350.39
mp-1192163
-7.206247
-3.919744
4.480909
other
Ba3Ge16Rh4
23
139
492.75
mp-1205867
8.141338
0.817252
1.539637
other
K3Tm1F6
10
139
226.97
mp-569860
-7.705694
-4.339253
3.266744
original
Nd1Ni2Sn2
5
139
99.47
mp-1069057
-5.439469
-2.640117
5.778917
other
Sr1Co2Si2
5
139
82.9
mp-569698
-8.402565
-4.426503
2.6337
other
U1Al2Pd5
8
139
130.85
mp-12058
-6.044256
-1.457201
1.760419
other
Er1P2Ru2
5
139
76.54
mp-1246729
1.474436
1.953261
1.152351
other
Ba2Cr1N2
5
139
115.97
mp-1095733
-1.87742
-8.308566
1.899361
other
Ti1Be2Rh1
4
139
544.38
mp-571147
-5.813314
-2.59779
4.67562
other
Hf1Si2Ni2
5
139
66.54
mp-8583
-5.722203
-1.912485
1.435162
other
Ba1P2Rh2
5
139
99.79
mp-1077374
-4.773811
-4.254507
5.136073
other
Th2Si2S2
6
139
131.66
mp-1104273
-7.091578
-0.709399
5.846814
other
Nd1Al8Fe4
13
139
195.16
mp-10698
-7.976072
-3.34348
4.267643
other
Ba1Ge2Rh2
5
139
107.96
mp-7426
-3.318928
-4.241941
0.881905
other
Ba1Zn2P2
5
139
107.2
mp-1206193
8.106346
0.787357
1.585927
other
K3Er1F6
10
139
227.55
mp-20173
-7.913508
-4.44776
4.339162
other
Ce1Cu2Ge2
5
139
87.48