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-1081
-4.808356
0.271225
-4.407272
other
V3S4
7
12
109.41
mp-1183089
-6.585094
-7.808834
5.430396
other
Ac4Mg2
6
12
234.24
mp-1246684
-5.45444
-4.082207
0.571729
other
Cu5As5
10
12
160.63
mp-1342828
9.231456
13.113533
-1.072157
other
Fe9O13
22
12
260.12
mp-1045898
13.179437
12.146937
-0.588402
other
V9O13
22
12
266.05
mp-1198191
-4.828691
-2.444692
2.538703
other
Ti45Se16
61
12
1,016.21
mp-1221957
-6.641398
-7.501099
3.273129
other
Mg1In1
2
12
48
mp-1045643
12.846867
10.556856
1.99933
other
Ti9O13
22
12
251.49
mp-567207
-6.551828
-6.745592
3.163438
other
Sr2In8
10
12
286.46
mp-1073070
-2.281924
-5.610604
7.288393
other
Mg4Si6
10
12
178.22
mp-510554
11.3278
11.715261
2.664545
other
Nb12O29
41
12
602.31
mp-1186252
-7.473
-6.84235
6.940037
other
Nd4Mg2
6
12
190.32
mp-1201852
10.98876
11.946697
2.743795
other
Nb16O40
56
12
813.42
mp-1185838
-7.800542
-10.0778
4.983957
other
Mg5Pt1
6
12
121.11
mp-1120821
-6.485778
-5.082221
0.674455
other
V8Bi6
14
12
292.76
mp-11800
-5.582376
-1.455715
-2.991127
original
Co3Se4
7
12
117.19
mp-1079094
-5.539294
-3.52255
-1.785143
other
Sb4Te6
10
12
276.55
mp-1078443
-4.357474
-2.414013
-3.455694
other
As4Se6
10
12
254.88
mp-973455
-7.003924
-11.02954
5.510242
other
Li2Mg4
6
12
124.19
mp-28879
-3.640527
-4.360852
0.627854
other
Ca5P8
13
12
293.09
mp-684934
11.418297
8.521895
2.08245
other
U5O11
16
12
198.92
mp-1038896
-6.291425
-5.741385
0.531867
other
Mg2Bi4
6
12
178.99
mp-1094646
-6.299177
-6.010531
3.637325
other
Mg2Ga4
6
12
116.73
mp-18280
15.660065
5.645941
0.395822
other
Si12O24
36
12
700.45
mp-1185840
-8.074256
-6.814411
2.314749
other
Mg2Ag4
6
12
110.09
mp-1080203
2.155461
2.5264
-0.189204
other
Cu2N2
4
12
44.11
mp-1180648
-3.748558
-1.720842
-4.060605
other
K1S1
2
12
394.3
mp-29465
1.605564
2.516351
-4.271941
other
Ta2Cl8
10
12
261.13
mp-1185936
-6.302185
-7.005733
2.366278
other
Mg2Pb4
6
12
167.66
mp-1186819
-3.948547
-7.053859
1.912812
other
Rb4Mg2
6
12
375.27
mp-6950
-5.529033
-5.626903
0.555941
other
Ba2Sb6
8
12
288.09
mp-31019
-6.554726
-2.52154
6.42221
other
Al45Cr7
52
12
790.73
mp-1180260
6.441286
8.756098
-2.473138
other
Mg1O2
3
12
33.76
mp-1078012
-6.493615
-2.664226
-1.721386
other
Cr3Te4
7
12
175.77
mp-1272680
6.075704
13.30755
-2.588627
other
Co4O8
12
12
135.11
mp-11697
-5.828662
-3.312351
1.757913
other
Ta2Sb4
6
12
136.77
mp-22510
-6.729979
-0.538142
3.704992
other
Fe4Ge4
8
12
109.64
mp-1077372
-6.065717
-3.795216
4.003854
other
Zr4Cu2
6
12
116.83
mp-567624
-0.46279
1.397934
-4.453295
other
Cr1Br2
3
12
88.67
mp-15325
-4.833311
-4.845846
0.313579
other
Ba2As6
8
12
226.1
mp-1073227
-2.662269
-5.409534
7.156835
other
Mg4Si6
10
12
171.88
mp-676620
-4.943095
-5.174917
0.436748
other
Li27As10
37
12
568.05
mp-30464
-7.29324
-4.388962
0.675831
other
Bi4Pd10
14
12
253.69
mp-1219748
1.763204
2.674375
-4.712781
other
Pt2Cl4
6
12
151.76
mp-1078331
-5.589808
-3.574705
-2.034072
other
Sb4Te6
10
12
351.7
mp-1073777
-2.331574
-6.737514
7.646776
other
Mg6Si6
12
12
226.28
mp-1094837
-6.505198
-5.97976
5.541277
other
Ce4Mg2
6
12
157.98
mp-1220932
-4.042561
-4.88391
5.659711
other
Na10Si102
112
12
2,405.02
mp-863316
6.956089
7.742604
-3.489521
other
Fe2O6
8
12
122.94
mp-1218065
-5.528666
-2.133387
3.219663
other
Ta12O2
14
12
231.79
mp-1199998
15.516796
5.696475
0.310191
other
Si38O76
114
12
2,504.26
mp-1213182
-6.948507
0.295127
3.646097
other
Fe26Mo18
44
12
553.19
mp-754698
12.751538
10.800122
2.186958
other
Nb4O8
12
12
166.69
mp-680850
-4.918005
-2.514369
2.634139
other
Ti32S12
44
12
672.4
mp-23219
-0.457906
1.343751
-4.291378
other
Cu1Br2
3
12
80.29
mp-685047
-5.267736
-1.330363
-3.281329
other
V23Se40
63
12
1,267.65
mp-1039397
-5.193437
-7.358638
3.96237
other
Ca4Mg2
6
12
212.45
mp-570219
-0.596614
1.12998
-4.131738
other
In2Br6
8
12
263.12
mp-27215
-1.054129
2.654963
-2.993604
other
Cr1I2
3
12
113.61
mp-1073578
-3.10513
-5.187531
6.689715
other
Mg2Si4
6
12
99.44
mp-541637
-0.961673
0.972625
-1.613188
other
Er4I5
9
12
309.65
mp-1073635
-3.037732
-5.189785
6.799088
other
Mg4Si8
12
12
207.39
mp-1178232
12.628696
11.355994
0.133211
other
Fe4O4
8
12
85.18
mp-1094553
-6.74916
-9.715816
2.971199
other
Mg4Sb2
6
12
147.55
mp-1094206
-6.330354
-6.42367
2.087294
other
Mg2Sn4
6
12
155.34
mp-1182783
-5.817956
-3.751099
-1.886052
other
Bi2Te3
5
12
358.7
mp-1094132
-8.197896
-6.230679
6.223247
other
Lu10Ga6
16
12
378.67
mp-22700
-5.374409
-1.301167
-3.196511
other
V3Se4
7
12
127.52
mp-31467
-8.187739
-4.254306
1.941135
other
Ga3Pd7
10
12
147.02
mp-11687
-6.115911
-2.110552
-1.646044
other
V3Te6
9
12
243.09
mp-1205422
-8.192644
-0.666693
4.282987
other
Hf4Co14
18
12
231.19
mp-1094543
-6.913889
-10.44658
4.208608
other
Mg4Sn2
6
12
142.57
mp-1182583
-4.329834
-2.800083
-3.737573
other
Bi2Se3
5
12
216.5
mp-667383
15.594411
5.653202
0.350761
other
Si28O56
84
12
1,601.36
mp-1215799
-4.493177
-3.789278
-3.680999
other
Yb5Se7
12
12
331.15
mp-570562
-6.210689
-2.675508
-1.081402
other
Te6Pt4
10
12
250.89
mp-662706
15.547515
5.69514
0.367414
other
Si28O56
84
12
1,512.28
mp-32679
-3.719018
-0.453884
2.757488
other
Nb10C7
17
12
224.6
mp-1094531
-7.311597
-6.849731
6.678516
other
Y4Mg2
6
12
176.73
mp-1080428
-0.951023
0.964144
-3.672495
other
Nb2Br8
10
12
310.21
mp-1224025
-6.813641
-6.351329
2.280161
other
In3Sn1
4
12
109.2
mp-684969
-2.604717
-2.698531
-5.546031
other
Sc4S6
10
12
213.59
mp-1073739
-2.619509
-6.729998
7.587624
other
Mg2Si2
4
12
70.83
mp-9548
-4.678253
-4.618879
0.091418
other
Ge6As6
12
12
296.32
mp-542454
-5.78675
-1.575788
2.11278
other
Mo4As6
10
12
174.37
mp-715614
9.412398
13.089179
-0.812178
other
Fe6O8
14
12
151.79
mp-1100449
-3.232266
-7.731612
7.529025
other
Mg3Si2
5
12
96.89
mp-1218446
1.583997
1.778334
1.282914
other
Sr4N3
7
12
168.25
mp-1063020
-5.591946
-3.021575
3.75528
other
Mg1Nb2
3
12
57.64
mp-31002
-5.883124
-3.342952
-1.824463
other
Rb2Te5
7
12
281.7
mp-1094511
-5.064727
-3.080647
4.147947
other
Mg2Ti4
6
12
112.12
mp-2512
-7.476774
-3.942025
1.392763
original
As2Pd10
12
12
181.96
mp-571256
2.049323
2.960657
-4.401092
other
Mo6Cl30
36
12
970.17
mp-27194
-1.259614
2.563222
-3.009876
other
Sn3I6
9
12
362.59
mp-1066655
-3.886909
-6.972883
1.812405
other
K3Rh1
4
12
177.25
mp-1039091
-6.409436
-7.121925
1.18248
other
Mg4Bi2
6
12
156.47
mp-557691
9.593941
8.452631
2.97121
other
La6O9
15
12
254.45
mp-1094491
-6.086258
-10.733207
5.681451
other
Sr2Mg4
6
12
193.17
mp-1178827
9.382792
12.082957
-4.322885
other
V3O8
11
12
139.65
mp-1185854
-8.542123
-5.979594
2.024105
other
Mg2Au4
6
12
108.86