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-1187236
-5.823572
-5.881451
5.589805
other
Sr1Pa3
4
139
108.8
mp-1749
-6.020934
-5.345388
5.459739
other
Ca1Al4
5
139
104.72
mp-973271
-3.909436
-7.19031
2.448699
other
K3Y1
4
139
225.78
mp-12665
-5.125723
-1.61477
4.709341
other
Be12Ag1
13
139
115.55
mp-977230
-6.751709
-6.390184
3.873096
other
Li3Tc1
4
139
58.45
mp-980811
-7.291509
-0.739838
4.44689
other
Tm1Mn12
13
139
159.15
mp-1063133
-8.03159
-5.364328
2.99386
other
Ca1Pd2
3
139
67.63
mp-1077367
-6.062048
-5.060803
2.445884
other
Ce4Bi2
6
139
196.6
mp-1104222
-7.726427
1.017153
4.893336
other
Y1Fe12
13
139
168.33
mp-971941
-9.457558
-3.94353
3.077198
other
Zn3Ni1
4
139
50.6
mp-1094376
-5.299194
-3.016194
4.062141
other
Mg1Ti3
4
139
71.95
mp-973896
-5.486615
-1.84823
-2.770264
other
Ni3I1
4
139
54.61
mp-1184178
-7.602844
-6.377154
5.865832
other
Er3Pb1
4
139
111.95
mp-973627
-3.945048
-7.309004
2.190672
other
K3Sr1
4
139
275.87
mp-1187322
-6.99419
-6.705242
7.036459
other
Tb3Y1
4
139
129.29
mp-1186009
-6.316151
-7.285893
2.1502
other
Mn1Tl3
4
139
103.99
mp-1186746
-6.355815
-5.41615
1.16654
other
Pr1Bi3
4
139
125.39
mp-984772
-6.602345
-5.862904
5.508379
other
Ce3Zn1
4
139
100.49
mp-974972
-3.865391
-7.166816
2.25921
other
Rb3Hf1
4
139
235.05
mp-567842
-5.14766
-1.290078
4.730725
other
Ta1Be12
13
139
112.33
mp-1184904
-6.75667
-6.393528
2.66829
other
In3Ga1
4
139
97.37
mp-1187805
-7.335747
-6.451268
5.949206
other
Y3Sn1
4
139
115.41
mp-21109
-6.616979
-4.940085
5.973379
original
La3Al12
15
139
317.2
mp-1185124
-6.909516
-6.825721
7.164186
original
La1Nd3
4
139
144.19
mp-1039344
-6.771468
-6.131938
1.589193
other
Sn3Bi1
4
139
116.83
mp-1014303
0.187785
2.250102
2.164642
other
Cr3N2
5
139
47.35
mp-1187386
-4.984072
-4.979854
4.460364
other
Tb1Np3
4
139
96.85
mp-976357
-7.902179
-6.370465
6.102558
other
Lu3Sn1
4
139
106.99
mp-979116
-6.178017
-6.156277
5.944987
other
Th3Br1
4
139
120.69
mp-1186633
-7.033664
-7.016705
7.401399
other
Pm1Sm3
4
139
136.12
mp-1183825
-6.868646
-6.550927
6.900771
other
Dy3Zr1
4
139
115.66
mp-2221
-5.81305
-3.845874
3.755561
other
Zr2Ag1
3
139
63.91
mp-974358
-7.648451
-1.487449
3.766701
other
Ir3Ru1
4
139
56.41
mp-1187177
8.375563
1.291554
-0.378197
other
Sr1F3
4
139
51.55
mp-1187555
-6.140959
-7.18542
1.986526
other
Tl3Cd1
4
139
113.08
mp-1186972
-6.961061
-5.419076
5.030756
other
Sc3Nb1
4
139
88.58
mp-971948
-9.394797
-4.205011
3.221985
other
Zn3Co1
4
139
51.08
mp-982930
-7.096099
-7.346926
4.339499
other
Hf1Tl3
4
139
99.89
mp-32565
2.859053
-0.414578
-1.77406
other
Tb4H9
13
139
141.06
mp-1183998
-7.782135
-2.695632
5.552476
other
Ga3Tc1
4
139
58.15
mp-867780
-6.527137
-2.210582
6.329775
other
Al3Cr1
4
139
58.03
mp-1184938
3.392374
-0.56919
-2.593643
other
K1H3
4
139
54.32
mp-1210958
-8.252731
-3.348009
2.40539
other
Mn7Pd9
16
139
216.33
mp-1184440
-5.594987
-7.382149
4.248178
other
Eu3Re1
4
139
109.25
mp-1185170
-6.77561
-6.561465
6.612113
other
La3Lu1
4
139
140.07
mp-1186822
-5.733805
-4.673156
3.565541
other
Pu3Th1
4
139
103.95
mp-975904
-6.491243
-7.03377
3.155986
other
Li3Cd1
4
139
72.5
mp-1187406
-6.241557
-5.955717
5.905738
other
Th3Zn1
4
139
114.77
mp-1183515
-5.194529
-7.369796
4.169746
other
Ca3Y1
4
139
158.59
mp-1185119
-4.023843
-7.088229
1.695152
other
K3Rb1
4
139
327.23
mp-1187951
-8.254591
-0.452145
3.759625
other
Zn1Co3
4
139
45.69
mp-1183080
-6.78347
-7.96792
5.284583
other
Ac3Ag1
4
139
150.6
mp-1018104
-5.738074
-3.839764
3.858004
other
Zr2Cd1
3
139
66.86
mp-982881
-7.176222
-6.965286
7.301378
other
Pm1Tm3
4
139
124.64
mp-1094320
-6.356232
-10.807426
5.955925
other
Sr1Mg3
4
139
113.09
mp-2285616
-0.375457
0.566229
-0.088285
other
K1C2
3
139
71.54
mp-1187316
-7.168637
-6.583984
6.867629
other
Tb3Sc1
4
139
120.74
mp-1183477
-7.902135
-3.660916
1.885103
other
Bi1Pt3
4
139
73.12
mp-1184272
-7.544115
-0.518304
3.388501
other
Fe3Au1
4
139
54.26
mp-1186350
-7.798385
-1.523279
3.578148
other
Ni1Ir3
4
139
53.8
mp-1186053
-4.845942
-7.186429
3.543567
other
Na3Nb1
4
139
117.69
mp-1186415
-6.321398
-1.447313
4.38917
other
Pa1Tc3
4
139
67.32
mp-1218021
0.669636
1.530366
2.642122
other
Ta4N3
7
139
83.7
mp-1184908
-5.048741
-4.099352
3.730204
other
Ho1U3
4
139
90.94
mp-1187229
-6.587537
-6.669379
6.366138
other
Sr1La3
4
139
161.32
mp-30599
-8.337558
-4.009508
3.859847
other
Ti2Cu3
5
139
68.21
mp-1185608
-7.021912
-6.87129
7.021936
other
La1Gd3
4
139
136.43
mp-1184704
-9.28485
-4.521592
4.245851
other
Hf1Cu3
4
139
56.86
mp-972529
-3.700748
-4.30028
0.881556
other
Sm1P3
4
139
75.06
mp-1186036
-5.277096
-7.318936
3.059221
other
Na3Cu1
4
139
101.35
mp-971718
-6.274423
-5.611411
0.589277
other
Zn1Bi3
4
139
116.15
mp-982982
2.860932
-0.398526
-1.711737
other
Hf1H3
4
139
28.28
mp-1070103
-8.086107
-3.777282
3.174073
other
Hf2Pt3
5
139
87.65
mp-1183087
-6.176049
-7.973696
5.807039
other
Ac3Lu1
4
139
163.75
mp-977385
2.627178
-0.067934
-1.807099
other
Np1H3
4
139
36.71
mp-31379
-5.366922
-3.461523
2.563493
other
Zr4Sb2
6
139
136.39
mp-1184743
-7.22475
-6.861391
7.185818
other
Gd1Ho3
4
139
126.6
mp-1184028
-9.126522
-4.298018
3.405527
other
Cu3Rh1
4
139
48.62
mp-634101
2.640252
2.722746
-3.952908
other
H1Cl1
2
139
46.91
mp-1184425
-6.308832
-6.091394
3.267159
other
Ga3Pb1
4
139
91.35
mp-1185771
-8.28818
-9.154685
4.499433
other
Mg2Pd1
3
139
52.91
mp-1070580
-7.335064
-1.662614
5.073742
other
Al3Ru2
5
139
67.67
mp-865985
-8.248927
-4.534593
2.04784
other
Cd1Pd3
4
139
63.92
mp-1187647
-7.700111
-6.391984
6.045478
other
Tm3Sn1
4
139
107.6
mp-976365
-7.805224
-6.689349
6.814946
other
Nd3Au1
4
139
115.35
mp-1186066
-5.086953
-7.134666
2.927858
other
Na3Ni1
4
139
95.41
mp-555
-7.278906
0.695684
4.08356
original
Fe8N1
9
139
100.79
mp-1183361
-4.774364
-7.388832
3.620721
other
Ba3Yb1
4
139
237.78
mp-1184772
-5.642731
-4.045715
3.760412
other
Hf3Pb1
4
139
88.96
mp-1257615
-3.021976
-5.18929
6.839734
other
Mg4Si8
12
139
206.91
mp-865900
-5.397992
-3.018355
3.686333
other
Ti3Tl1
4
139
72.68
mp-1183580
-6.804154
-6.572258
2.707371
other
Cd3B1
4
139
74.55
mp-1185221
-5.14751
-7.438359
3.536559
other
K1Eu3
4
139
206.11
mp-555211
15.704195
5.621535
0.4091
other
Si16O32
48
139
1,031.3
mp-1184664
-5.775904
-3.714756
3.748896
other
Hf3Ge1
4
139
81.35
mp-999441
-5.703773
-2.389286
3.677144
other
Nb3Cr1
4
139
68.64
mp-977128
-7.822284
-1.635566
4.618896
other
Na1Ru3
4
139
58.96
mp-1183872
-6.513099
-5.718411
5.516506
other
Ce3Cu1
4
139
93.34
mp-1183256
-6.498211
-6.815234
2.184933
other
Ag1Pb3
4
139
113.87
mp-972461
-6.794527
-6.642099
6.991988
other
Sm3Zr1
4
139
121.2