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-684971
4.725937
2.729845
-0.761988
other
Nb22S24
46
167
454.03
mp-556812
14.015707
6.33409
-0.52977
other
Si6O12
18
167
208.18
mp-1080314
-4.182365
-4.150596
-3.255581
other
Ce6Se12
18
167
535.25
mp-571053
-6.524575
-2.063011
6.131108
other
Al10Mo2
12
167
181.48
mp-1047
1.702536
1.710168
1.307177
other
Ca6N4
10
167
182.59
mp-542781
-5.165119
-7.044435
1.599346
other
Rb16Tl22
38
167
1,741.73
mp-1186221
11.371647
8.457592
2.022364
other
Np4O6
10
167
156.03
mp-562468
9.054614
2.130659
1.677289
other
Ti2F6
8
167
120.37
mp-866066
-2.504501
-0.789015
-5.397187
other
B4S6
10
167
200.15
mp-2552
9.096445
9.89137
-2.206006
other
Te2O6
8
167
91.54
mp-1087241
-4.267117
-4.906844
-3.392836
other
Ce12Se24
36
167
3,511.78
mp-768247
7.18626
7.797193
-3.253952
other
Pt2O6
8
167
88.66
mp-1080858
-4.272553
-4.957262
-3.405436
other
Ce12Se24
36
167
2,313.82
mp-1078300
8.499987
1.217404
1.765206
other
Sc2F6
8
167
131.06
mp-458
12.826159
10.804241
1.8047
original
Ti4O6
10
167
103.72
mp-865439
11.794497
8.535935
1.975611
other
Th6O4
10
167
208.3
mp-974355
-5.248585
-0.637534
-5.417752
other
Mn4S6
10
167
180.37
mp-16860
-8.034358
-9.447326
5.475766
other
Mg26Ir6
32
167
619.35
mp-1200207
-4.53901
-6.488552
2.18407
other
Cs16Ga22
38
167
1,470.12
mp-14024
12.351418
8.999561
2.573694
other
Zr6O2
8
167
143.83
mp-568495
-9.168493
-4.742142
3.328583
other
Cu20Sn6
26
173
372.41
mp-27529
-0.698199
2.154646
-3.401697
other
P2I6
8
173
350.1
mp-530546
15.589365
5.661839
0.344378
other
Si54O108
162
175
3,291.46
mp-1268190
-3.822836
-4.912387
5.875476
other
Na1Si6
7
175
110.01
mp-554498
13.554819
6.4934
-1.008787
other
Si12O24
36
177
583.32
mp-555823
13.793669
6.080501
-0.801626
other
Si12O24
36
177
558.46
mp-555355
13.548267
6.198726
-0.924307
other
Si12O24
36
177
531.21
mp-1080864
-4.265286
-4.874907
-3.392495
other
Ce12Se24
36
177
2,407.41
mp-1223706
-8.34396
-6.963867
3.159624
other
La14Ag51
65
174
1,439.95
mp-1217439
-3.942113
-4.021864
-3.094105
other
Th7Se12
19
174
489.69
mp-1078219
5.267817
3.727744
-3.853505
other
C3N4
7
174
103.39
mp-1209515
-7.494945
-7.686799
1.995464
other
Sr11Hg54
65
174
1,808.1
mp-1217580
-9.071698
-6.210652
2.581189
other
Th14Au51
65
174
1,316.59
mp-1225453
-8.323522
-6.991036
3.001693
other
Er14Ag51
65
174
1,311.11
mp-1219378
-8.401941
-7.005206
3.163642
other
Sm14Ag51
65
174
1,326.11
mp-20414
-5.457859
-3.717078
0.226287
other
U7Te12
19
174
588.73
mp-1225861
-8.970375
-6.237988
2.600837
other
Dy14Au51
65
174
1,242.63
mp-1217188
-4.092945
-3.550938
-2.330947
other
U7Se12
19
174
471.34
mp-1220890
-8.977637
-6.268517
2.61979
other
Nd14Au51
65
174
1,344.36
mp-1220036
-5.995691
-1.270009
1.193275
other
P7Rh12
19
174
256.87
mp-1220280
-8.889247
-6.235252
2.574507
other
Pr14Au51
65
174
1,398.7
mp-1223670
-8.933773
-6.266333
2.586946
other
La14Au51
65
174
1,418.97
mp-9521
-5.712423
-3.992131
-0.716118
other
Th7Te12
19
174
600.07
mp-1225847
-8.333358
-6.98524
3.023124
other
Dy14Ag51
65
174
1,333.42
mp-1216365
-8.375312
-6.959646
3.025366
other
Y14Ag51
65
174
1,294.82
mp-1217874
-8.413866
-6.999217
3.027902
other
Tb14Ag51
65
174
1,265.6
mp-1220249
-8.459783
-6.953385
3.16129
other
Pr14Ag51
65
174
1,346.38
mp-505626
-5.708721
-0.938651
2.196908
other
Cr12P7
19
174
241.31
mp-1217388
-2.899208
-2.736616
-4.584059
other
Th7S12
19
174
431.79
mp-1219385
-8.974367
-6.297
2.582789
other
Sm14Au51
65
174
1,282.69
mp-1224563
-8.41399
-7.003873
3.057711
other
Ho14Ag51
65
174
1,251.27
mp-1217575
-8.368923
-6.823755
3.132481
other
Th14Ag51
65
174
1,394.01
mp-1217878
-8.929703
-6.262246
2.607134
other
Tb14Au51
65
174
1,250.85
mp-1216441
-9.374032
-4.632243
4.193867
other
Zr14Cu51
65
174
916.66
mp-684675
-5.578785
-1.075451
2.263114
other
V12P7
19
174
239.74
mp-1217740
-9.695479
-4.822625
4.149117
other
Th14Cu51
65
174
1,077.98
mp-1216297
-7.565616
-7.706893
2.339836
other
Yb14Hg51
65
174
1,660.73
mp-1224756
-9.346069
-4.531415
4.144792
other
Hf14Cu51
65
174
886.33
mp-1227899
-7.499224
-7.849011
2.051399
other
Ca14Hg51
65
174
1,684.48
mp-1218949
-7.47433
-7.731237
2.08603
other
Sr14Hg51
65
174
1,804.31
mp-1220721
-8.460485
-7.020871
3.177206
other
Nd14Ag51
65
174
1,351.55
mp-18536
8.104237
1.435305
-0.60012
other
Ag6F18
24
178
334.38
mp-30749
-6.981231
-3.309393
4.12079
other
Zr30Ir18
48
178
938.51
mp-1212499
-7.117463
-3.338911
4.303801
other
Hf30Ir18
48
178
906.21
mp-942
8.45892
1.843952
-0.717005
other
Au6F18
24
178
365.93
mp-1257168
15.569283
5.661833
0.327167
other
Si60O120
180
178
3,789.28
mp-23184
3.093584
2.839747
-4.388276
other
B2Cl6
8
176
219.99
mp-569895
1.429999
2.337088
-5.465066
other
Eu2Cl6
8
176
204.51
mp-570170
-6.827105
1.40125
-4.022641
other
Mo30Se38
68
176
1,594.14
mp-582011
1.139346
1.623996
-4.790693
other
Ce2Cl6
8
176
209.63
mp-723463
6.952374
8.442339
-2.171314
other
La2O6
8
176
115.62
mp-569850
-0.456098
0.532405
-3.497006
other
Ce2Br6
8
176
249.16
mp-540855
-4.327998
-6.823472
1.505898
other
Rb24O4
28
176
1,929.26
mp-1094398
-4.587141
-3.436851
4.361534
other
Mg6Ti8
14
176
264.69
mp-1204241
-5.720549
-6.012856
3.804106
other
Ca18Ge24
42
176
1,022.5
mp-1014345
0.325718
2.515189
2.096815
other
Cr6N8
14
176
139.06
mp-7564
-5.429121
-2.023042
-1.461289
other
Nb6Te8
14
176
373.6
mp-1105170
-0.501733
1.171339
-4.372425
other
Sn6Br12
18
176
610.53
mp-22918
1.213635
1.980207
-5.249719
other
Pu2Cl6
8
176
201.22
mp-13852
2.748601
2.440552
1.609333
other
Ge6N8
14
176
173.09
mp-561
-4.627966
-1.171525
-2.510173
other
Nb6Se8
14
176
311.81
mp-1178953
6.594082
8.838739
-2.340187
other
Tm2O6
8
176
118.96
mp-1014558
0.681795
2.581866
1.847806
other
Cr6N8
14
176
176.08
mp-1214046
-4.067678
-5.256486
5.453065
other
Ca18Si24
42
176
940.52
mp-1205900
7.003081
9.014721
-0.322286
other
Ce2O6
8
176
115.99
mp-1104504
-5.495146
-2.108066
-1.304853
other
Nb6Te8
14
176
441.87
mp-1205980
-8.837821
-6.013534
6.620849
other
Lu6Ru4
10
176
224.91
mp-23189
-0.845255
1.979549
-2.872691
other
B2I6
8
176
343.3
mp-720472
6.952541
8.403297
-2.374799
other
Pr2O6
8
176
121.08
mp-646059
5.816709
2.278667
-3.019567
other
C156Cl36
192
176
2,773.04
mp-1025421
6.756661
8.595572
-2.004505
other
Sm2O6
8
176
137.55
mp-23183
1.030095
1.534969
-4.773
other
Nd2Cl6
8
176
205.61
mp-30597
-9.141863
-4.745211
3.319417
other
Cu20Sn6
26
176
360.31
mp-1094365
-4.523145
-3.421603
4.3439
other
Mg6Ti8
14
176
268.92
mp-1228211
-5.265743
-6.910711
3.471076
other
Ba10Ga12
22
176
779.53
mp-638048
-6.816825
1.372974
-4.04765
other
Mo18Se22
40
176
970.11
mp-1206483
6.713634
6.686181
-3.378144
other
Eu2O6
8
176
155.14
mp-1249090
15.5901
5.650079
0.342872
other
Si34O68
102
176
2,397.16
mp-1080197
0.423917
2.737062
1.722767
other
Mn6N8
14
176
139.07
mp-1205786
-8.553823
-6.141678
6.708753
other
Y6Ru4
10
176
239.96