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-4210
8.641181
9.444046
2.418982
other
Sm2Cu1O4
7
139
91.65
mp-18583
-5.728899
-2.364769
4.550184
other
Ti8Si14Ni8
30
139
384
mp-569012
-6.300263
-2.790015
0.959425
other
Cs1As2Rh2
5
139
120.47
mp-1070603
-5.612312
-2.907485
5.739471
other
Sm1Si2Ir2
5
139
88.85
mp-27961
-5.250654
-3.516218
5.078549
other
Zr3Cu4Si6
13
139
193.94
mp-1104471
1.702006
2.310069
-3.604283
other
Mo2Br8N4
14
139
491.75
mp-772290
8.631225
11.121224
-0.373312
other
Li4Ag4O4
12
139
157.27
mp-8682
11.316586
8.165084
0.697563
other
Ca2Si1O4
7
139
76.4
mp-13473
-5.437243
-2.201294
5.783857
other
Sm1Mn2Si2
5
139
81.69
mp-975359
-5.988552
-2.138176
1.00272
other
Rb1Fe2As2
5
139
102.07
mp-1217005
-5.183141
-3.400489
5.42254
other
U2Si6Ni4
12
139
178.36
mp-21082
-7.799254
-2.341004
5.328088
other
Dy1Ge2Ru2
5
139
87.99
mp-5497
-7.9623
-2.326138
5.192266
other
Er1Co2Ge2
5
139
76.25
mp-570183
-6.069389
-4.024685
0.634823
other
Pr1As2Pd2
5
139
96.39
mp-1223813
1.284531
2.401091
-5.683222
other
K4Na1Cl5
10
139
307.41
mp-21020
11.697283
8.924907
2.102171
other
Sr2U1O4
7
139
126.11
mp-1103511
-8.058163
-3.977569
5.30427
other
Lu1Al8Cu4
13
139
191.48
mp-1069956
-5.945036
-2.990903
5.58485
other
Ca1Si2Rh2
5
139
83.21
mp-1206926
-6.366194
-2.664448
1.018577
other
Rb1As2Rh2
5
139
113.13
mp-4065
-5.84865
-2.890039
5.74577
other
Dy1Si2Ir2
5
139
81.85
mp-568280
-6.052985
-2.553897
0.603524
other
Ba1Ni2As2
5
139
100.8
mp-22187
-8.10761
-3.016249
4.404027
other
Gd1Ge2Rh2
5
139
88.03
mp-1025564
-8.451593
-4.52748
2.4224
other
Lu1Al2Pd5
8
139
126.4
mp-18978
6.912147
11.713655
1.697532
other
Sr2Mn1O4
7
139
90.04
mp-23956
3.307469
-0.587957
-2.445939
other
K2Mg1H4
7
139
108.91
mp-4410
-6.259478
-1.71031
5.079079
other
Yb1Al4Mo2
7
139
122.42
mp-1207270
-6.110697
-3.568412
-2.262521
other
Tl2Cu1Te2
5
139
150.28
mp-1221191
-4.654851
-6.588487
3.165531
other
Na4B3Cl1
8
139
169.11
mp-1205738
8.179027
1.100231
0.468541
other
K3Yb1F6
10
139
208.74
mp-1215729
-8.128109
-1.59081
2.472902
other
Zn1Ni9Ge2
12
139
136.07
mp-1206337
-7.603097
-6.289753
3.552299
other
Eu1Ag2Ge2
5
139
104.04
mp-5544
-6.70877
-1.838709
5.735999
other
U1Al8Cr4
13
139
196.69
mp-13911
-6.10829
-5.872087
3.692739
other
Ca1Zn2Ge2
5
139
96.14
mp-31059
-5.848732
-5.525702
4.64547
other
Ba1Al2Ge2
5
139
119.73
mp-1077991
1.284696
2.291862
-5.830428
other
Cs2Tm1Cl4
7
139
246.68
mp-1226489
10.465672
9.656739
3.89322
other
Ce1Zr4O10
15
139
177.18
mp-4177
-5.824314
-2.409794
5.889176
other
Dy1Si2Ru2
5
139
82.48
mp-1206880
8.554418
11.449762
-0.625873
other
Li2Hg1O2
5
139
57.69
mp-4853
11.388311
8.352582
0.696373
other
Ca4Si4O12
20
139
187.87
mp-2646999
-4.67376
-1.620461
-5.677934
other
K1Cu2S2
5
139
97.48
mp-606604
9.002055
0.72552
1.416039
other
Cs1Li2F3
6
139
84.63
mp-6962
-5.630336
-4.456467
0.536975
other
Ba1As2Pd2
5
139
109.8
mp-7522
2.201939
1.893093
1.618807
other
Th2Sb1N2
5
139
114.3
mp-13466
-5.357022
-4.436011
5.10322
other
Sm1Si2Au2
5
139
93.64
mp-5326
-5.724394
-2.469247
5.780276
other
Yb1Co2Si2
5
139
74.15
mp-1194182
-5.487198
-2.757522
4.943689
other
Hf8Si14Ni8
30
139
422.34
mp-569597
-5.822395
-1.564536
5.347526
other
Np1Fe2Si2
5
139
73.78
mp-1078265
1.274181
2.597418
-6.072521
other
Cs2Yb1Cl4
7
139
254.31
mp-19815
11.074231
11.107437
0.951411
other
Eu2V1O4
7
139
90.39
mp-2924
-5.46781
-3.35154
5.333849
other
Ho1Si2Ni2
5
139
73.05
mp-7724
11.307384
8.941229
0.905246
other
Li2U1O4
7
139
100.37
mp-1104931
-6.656097
-1.869361
5.945272
other
Sm1Al8Cr4
13
139
205.58
mp-1178366
11.290188
8.247222
2.762732
other
Dy2Sb1O2
5
139
97.3
mp-4275
-5.564737
-4.155479
5.037241
other
Sm1Si2Pd2
5
139
87.04
mp-3218
-5.687221
-4.002083
4.858477
other
Er1Si2Pd2
5
139
83.67
mp-1208703
7.649284
11.526387
1.265023
other
Sr4Cr3O10
17
139
212.86
mp-31411
-6.648411
-1.827051
5.853469
other
Th1Al8Cr4
13
139
204.29
mp-22343
-7.669191
-2.242825
5.214478
other
Ce1Ge2Ru2
5
139
90.95
mp-1025252
1.482413
2.773423
-6.068744
other
Cs2Mn1Cl4
7
139
224.46
mp-30183
-7.379502
-3.114388
5.372576
other
Zr1Al5Ni2
8
139
115.41
mp-3958
-5.747503
-2.335783
5.611201
other
Er1Si2Os2
5
139
82.47
mp-3074
8.602082
8.863823
-0.380028
other
K4Ag4O4
12
139
264.07
mp-755154
10.464736
1.638056
2.160604
other
Li2Fe1F4
7
139
76.69
mp-859126
-1.228928
1.901174
-1.617357
other
Ba3Ca1I8
12
139
558.31
mp-7349
-9.234366
-1.125542
4.44915
other
Ba1B2Rh2
5
139
88.01
mp-1206327
-2.410132
0.537178
2.352492
other
Th2Ni1C2
5
139
87.28
mp-4954
-5.489532
-4.167684
5.065809
other
La1Si2Pd2
5
139
91.45
mp-1200769
-8.275414
-4.374531
4.665256
other
Yb3Ga24Cu12
39
139
627.96
mp-31081
-6.88482
-1.677306
5.955806
other
Sc1Mn4Al8
13
139
196.82
mp-4924
-8.008367
-4.398901
4.45459
other
Pr1Cu2Ge2
5
139
88.09
mp-1070510
11.346532
8.236487
2.737332
other
Y2Bi1O2
5
139
100.95
mp-1147762
7.759787
6.314772
-1.927318
other
Ba4Cu2O8
14
139
228.23
mp-672294
-5.596296
-2.472892
5.600574
other
Eu1Co2Si2
5
139
76.86
mp-571000
-7.334549
-2.1599
4.813608
other
Th1Ge2Os2
5
139
92.14
mp-643260
3.416456
-0.648201
-2.453853
other
Na2H4Pd1
7
139
90.21
mp-5260
-7.783402
-2.329577
5.278308
other
Ho1Ge2Ru2
5
139
87.49
mp-5166
-6.143336
-4.105976
0.687855
other
Ca1As2Pd2
5
139
94.98
mp-1215918
2.089277
1.773998
1.945219
other
Y1Sc3N4
8
139
99.82
mp-4458
-5.505033
-2.105849
5.69532
other
Th1Mn2Si2
5
139
83.45
mp-1245760
0.059266
2.178342
2.269536
other
V2Ni1N2
5
139
48.07
mp-1208837
-8.63471
-5.61451
3.878193
other
Sr1In2Cu2
5
139
112.9
mp-12085
-5.656914
-2.180699
5.331354
other
Np1Cr2Si2
5
139
77.5
mp-5982
-6.246306
-2.381056
0.762098
other
La1Ni2As2
5
139
84.8
mp-567830
-5.543169
-2.218228
5.394799
other
Sm1Cr2Si2
5
139
81.81
mp-1068797
-8.584896
-6.09166
3.068753
original
Nd1Ge2Au2
5
139
101.86
mp-864913
8.986989
1.531452
1.606218
other
Na3U1F8
12
139
155.31
mp-571561
-7.740814
-4.379841
3.222565
other
Sm1Ni2Sn2
5
139
99.71
mp-4936
-5.397682
-3.873528
4.633947
other
Yb1Si2Pt2
5
139
87.8
mp-1104191
-8.036257
-0.236349
4.338368
other
Sm1Mn4Co8
13
139
161.64
mp-15157
8.121896
0.643184
1.596004
other
Cs2Ca1F4
7
139
150.09
mp-1208135
-7.811468
-6.526128
6.466042
other
Tm12Fe2Pb3
17
139
456.41
mp-20356
11.432288
8.183264
2.946281
other
Ce2Sb1O2
5
139
104.14
mp-1225038
-5.515511
-3.853227
4.684083
other
Er1Si2Pt2
5
139
88.9
mp-1221716
11.128441
12.316196
0.063782
other
Mn4Cd1O5
10
139
120.01
mp-571586
-5.724866
-2.349785
5.646088
other
Nd1Si2Os2
5
139
87.09
mp-1018085
-8.06809
-2.295407
3.211502
other
Co1Sn1Rh2
4
139
59.78
mp-1096751
-3.078528
-8.41225
1.509441
other
Ca2In1Hg1
4
139
2,212.54
mp-28838
-5.527206
-3.457929
4.580672
other
U3Si2C2
7
139
111.93
mp-5351
-8.100334
-4.570267
3.162906
other
Tb1Ge2Pd2
5
139
91.21
mp-5057
-5.306164
-4.444117
5.084845
other
Nd1Si2Au2
5
139
95.12