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-1400406
-5.606342
-0.585129
-4.451338
other
Zn2Co4S8
14
227
222.89
mp-1195444
-9.608959
-5.088693
3.349622
other
Zr2Zn40Ni4
46
227
678.5
mp-644259
2.469065
-0.423247
-1.452483
other
Ti16Ni8H8
32
227
373.86
mp-644838
-6.152553
-0.208484
3.154147
other
Co8Mo16N4
28
227
351.96
mp-1204963
-6.556152
-2.671385
6.389863
other
Pr2Al40V4
46
227
754.31
mp-22354
7.672322
13.404613
-1.312386
other
Mn4Tl4O14
22
227
243.36
mp-1194051
-6.070474
-1.321344
3.622204
other
Ta16Co8C4
28
227
394.86
mp-1232279
-2.702831
-2.735363
-5.78699
other
Tm4Mg2S8
14
227
333.31
mp-1208654
7.325322
5.610723
-2.862681
other
Tb2Zr2O28
32
227
315.8
mp-1232054
-4.275557
-4.162246
-3.815207
other
La4Mg2Se8
14
227
448.68
mp-1197565
-7.744471
-6.66454
2.565239
other
Ce2Cd40Pd4
46
227
1,026.82
mp-5889
10.262181
10.577865
3.252915
other
Er4Ti4O14
22
227
252.72
mp-642779
11.225236
13.243972
-1.705406
other
Y4V4O14
22
227
262.05
mp-555785
10.110026
10.655129
3.32442
other
Nd4Ti4O14
22
227
273.44
mp-690799
2.758255
-0.357908
-1.664302
other
Zr2Ti4H8
14
227
134.4
mp-755851
11.714631
11.519211
2.109995
other
Ta4Mn4O14
22
227
278.46
mp-1232394
-4.239297
-4.262848
-3.882682
other
Pr4Mg2Se8
14
227
439.33
mp-1195878
-7.611334
-10.478765
5.912891
other
Nd2Mg40Ni4
46
227
994.74
mp-754491
8.943478
13.082897
-1.052154
other
Fe4Hg2O8
14
227
177.21
mp-36447
12.731976
7.756777
-0.25722
other
Al4Co2O8
14
227
131.9
mp-1199912
-9.447694
-5.138832
3.570409
other
Ce2Zn40Ir4
46
227
735.41
mp-754289
7.917257
13.544117
-1.570286
other
Mn4Hg4O14
22
227
261.37
mp-754942
9.726473
8.35808
3.026465
other
Sr2Sm4O8
14
227
255.81
mp-703492
-6.129492
-3.572084
3.670736
other
Zr12Zn12C4
28
227
452.36
mp-541595
-6.208017
-0.195299
3.285685
other
Co12W12N4
28
227
337.33
mp-1238827
-5.58236
-0.222475
-5.84212
other
Cr4Ag2S8
14
227
260.54
mp-1203374
-6.07437
-4.00716
6.032538
other
Nd2Al40Cr4
46
227
804.3
mp-542681
-6.095833
-7.142139
2.767535
other
Na12In8Ag4
24
227
635.24
mp-22094
7.486351
11.231236
-0.16345
other
Tl4Ru4O14
22
227
268.57
mp-722294
-5.430722
-1.145814
3.368527
other
Nb12Zn12N4
28
227
397.37
mp-30545
11.787965
12.630054
-1.74728
other
Mg4V2O8
14
227
150.7
mp-1232303
7.234816
10.644806
-0.779688
other
Rb2Ni2O4
8
227
151.16
mp-1193886
0.360467
0.663103
3.064459
other
Zr16Ir8N4
28
227
479.8
mp-29399
8.696122
14.570786
-1.255595
other
Mn4Ni2O8
14
227
154.38
mp-1191749
8.045626
11.248271
0.384507
other
Y4Ir4O14
22
227
264.18
mp-1395193
-5.363293
-0.37056
-5.860695
other
Ca2Cr4S8
14
227
294.05
mp-1103898
-4.496994
-1.02077
-5.983309
other
Cr2In4S8
14
227
311.19
mp-17619
7.989331
12.816837
0.781133
other
Sc4Mn4O14
22
227
220.53
mp-755355
7.189924
8.410522
-0.533462
other
La4Pr4O14
22
227
378.26
mp-754826
10.118972
8.704463
2.843349
other
Cs2Sc2O4
8
227
184.51
mp-1207846
9.400747
9.169744
2.380165
other
Y4Pd2O8
14
227
220.92
mp-1208620
-2.518744
-8.516043
1.479156
other
Zn24Si2Ni8
34
227
8,187.14
mp-3611
10.470297
9.477444
3.69964
other
Dy4Hf4O14
22
227
282.68
mp-18766
11.792109
7.951826
-2.082286
other
Si2Ni4O8
14
227
129.35
mp-4324
-2.729663
-2.695547
-5.814718
other
Tm4Cd2S8
14
227
343.3
mp-1178472
9.864973
8.3872
3.172444
other
Ca2Tm4O8
14
227
216.93
mp-1103525
-4.571008
-3.676843
-3.905587
other
Yb4Zn2Se8
14
227
385.6
mp-1398746
12.965463
10.821568
-0.084674
other
Zn2Mo4O8
14
227
179.77
mp-558392
8.304741
11.038828
-0.323044
other
Bi4Ir4O14
22
227
276.77
mp-1200867
-6.56672
-2.69461
6.463669
other
La2Al40Cr4
46
227
751
mp-1176776
-5.520335
-0.605521
-4.371322
other
Li4Co4S8
16
227
228.42
mp-1212003
7.899496
11.445139
0.862354
other
La12Fe20O48
80
230
1,072
mp-1172356
8.893265
8.047574
-2.782827
other
Si12Bi12O48
72
230
933.96
mp-781609
8.219618
11.707042
1.000823
other
Ho12Fe20O48
80
230
974.28
mp-5444
11.182716
7.93415
1.22463
other
Y12Ga20O48
80
230
929.35
mp-1213947
7.507885
8.627741
-2.128888
other
Cd12Ga20O48
80
230
969.14
mp-1210032
11.089202
7.971329
1.129912
other
Pr12Ga20O48
80
230
1,024.72
mp-1142857
13.203571
8.970677
-1.761856
other
Si12Mo12O48
72
230
768.01
mp-1201384
6.996527
8.407604
-2.667785
other
Sr12Ga8O48
68
230
1,306.71
mp-780432
11.389824
8.019273
1.713868
other
La12Al20O48
80
230
978.6
mp-1208125
11.272187
7.907881
1.29627
other
Tm12Ga20O48
80
230
933.3
mp-1209029
7.357926
8.298589
-2.354907
other
Sr12Yb8O48
68
230
1,581.62
mp-557953
9.95947
8.88144
-2.512055
other
Hg24Te8O48
80
230
1,300.36
mp-1204798
7.162329
8.436337
-2.708894
other
Ba12Al8O48
68
230
1,465.51
mp-5802
12.573126
7.890693
-1.770463
other
Mn20Si12O48
80
230
861.74
mp-1143703
11.493
7.27748
-5.066241
other
Si12Te8O48
68
230
835.46
mp-1143876
12.641921
9.178204
-2.128581
other
V12Si12O48
72
230
704.58
mp-1142770
11.969543
7.52504
-1.446347
other
Si12Sn12O48
72
230
796.88
mp-1182533
6.883257
8.460412
-2.780316
other
Ca12Al8O48
68
230
1,090.66
mp-1142725
11.160646
8.822993
-0.953157
other
Si12Sb12O48
72
230
849.17
mp-1208580
5.894337
10.293737
-1.790605
other
Sr12Mn8O48
68
230
1,056.44
mp-21757
8.855465
8.293432
-0.764719
other
Eu12Al20O48
80
230
894.81
mp-15576
11.19823
7.909505
1.129111
other
Dy12Ga20O48
80
230
927.02
mp-14132
11.631226
7.876209
1.721473
other
Lu12Al20O48
80
230
856.52
mp-1329713
8.540689
8.296131
-4.315956
other
Cr8Ge12O48
68
230
849.67
mp-1249282
13.856254
8.868059
-1.516615
other
Si12W12O48
72
230
775.8
mp-14134
11.252515
7.90992
1.301135
other
Lu12Ga20O48
80
230
923.05
mp-562055
5.89349
11.093709
-1.407
other
Yb12Fe20O48
80
230
959.91
mp-772195
11.487951
7.932912
1.698215
other
Dy12Al20O48
80
230
862.22
mp-555758
6.270659
11.189608
-0.261434
other
Eu12Fe20O48
80
230
1,028.23
mp-1208701
7.153393
8.509623
-2.032822
other
Sr12Lu8O48
68
230
1,531.31
mp-1143651
10.169667
8.350028
-4.540037
other
Si12Mo8O48
68
230
859.87
mp-3800
8.068707
8.262235
-2.380455
other
Yb12Al20O48
80
230
887.75
mp-5800
11.146059
7.912638
1.193611
other
Sm12Ga20O48
80
230
963.54
mp-3384
11.563415
7.947491
1.786453
other
Er12Al20O48
80
230
847.56
mp-1325965
10.939462
9.164061
-3.975552
other
Ge12W8O48
68
230
949.05
mp-1214143
6.029039
10.351495
-1.814827
other
Ca12Mn8O48
68
230
1,053.84
mp-14388
11.533569
7.903245
1.770898
other
Ho12Al20O48
80
230
881.24
mp-14139
7.976975
11.644302
0.928137
other
Sm12Fe20O48
80
230
1,022.35
mp-1364379
7.386909
8.388214
-3.070423
other
Si12Ni12O48
72
230
775.71
mp-1326175
10.553466
8.631824
-3.165225
other
Ge12Te8O48
68
230
916.15
mp-1208209
8.101565
11.764652
0.920702
other
Tm12Fe20O48
80
230
965.56
mp-14133
11.49495
7.884318
1.727242
other
Gd12Al20O48
80
230
910.34
mp-1200811
5.42363
-0.458707
-3.014813
other
Mg12B24H96
132
230
2,018.17
mp-570845
-8.189445
-2.100917
2.785716
other
Zn8Ga24Ni24
56
230
752.88
mp-1213411
8.085709
8.455178
-0.51099
other
Eu12Ga20O48
80
230
1,008.76
mp-3050
11.55896
7.888047
1.746195
other
Y12Al20O48
80
230
864.7
mp-558260
8.691897
8.4887
-1.494885
other
Hg48Cl24O16
88
230
2,189.13
mp-2921
11.104597
7.951833
1.032996
other
Gd12Ga20O48
80
230
988.69
mp-559750
8.261489
11.77844
0.858566
other
Lu12Fe20O48
80
230
952.84