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-1095397
-3.890153
-1.21773
-5.684065
other
Sn4S8
12
227
283.79
mp-951
-8.568844
-2.681496
4.007198
original
Ce2Rh4
6
227
108.4
mp-1213096
-7.458629
-6.509267
6.671463
other
Er8Ni2
10
227
290.38
mp-1192216
-6.484102
-1.707291
4.392721
other
Ti16Fe8
24
227
353.17
mp-21416
-6.215906
-4.270436
3.937757
other
Pu2Al4
6
227
118.96
mp-1014379
0.58838
2.49161
2.045742
other
Cr6N8
14
227
136.89
mp-1213461
-6.957939
-6.529337
6.393443
other
La8Ni2
10
227
354.78
mp-1077745
-8.151256
0.28945
3.773833
other
Fe4Ni2
6
227
69.56
mp-1208740
-4.955556
-7.374024
3.150672
other
Sr8Pt2
10
227
502.5
mp-2537
-3.400919
-2.114772
-4.726677
other
Nd2S4
6
227
124.1
mp-1213035
-7.676804
-6.478363
6.661888
other
Er8Co2
10
227
286.37
mp-756
-7.056029
-4.464833
6.468503
other
Tb2Al4
6
227
120.98
mp-445
-8.641558
-0.782372
5.027999
other
Nd2Co4
6
227
97.58
mp-1247744
-4.662629
-7.398595
3.218941
other
Ba12Na12
24
227
1,243.14
mp-1358
-8.770534
-2.716003
4.061665
other
Dy2Ir4
6
227
106.97
mp-12350
15.385335
5.732327
0.205076
other
Si8O16
24
227
894.07
mp-1209780
-5.977915
-4.613338
3.123932
other
Pu8Co2
10
227
255.73
mp-1897
-6.564912
-4.025011
2.947066
other
Pu2Rh4
6
227
101.62
mp-1232267
-3.246243
-2.250987
-4.771112
other
Pm2S4
6
227
122.68
mp-1207438
-5.51826
-3.838125
3.937342
other
Zr8V2
10
227
238.32
mp-1207010
2.441188
2.794881
-3.038886
other
Hg2N4
6
227
263.15
mp-1209073
-7.491536
-5.332377
5.303048
other
Sc8Co2
10
227
237.22
mp-1208934
-7.74834
-6.737815
7.255363
other
Sm8Ru2
10
227
329.15
mp-2720
-8.242773
-3.476048
2.732455
other
Nd2Pt4
6
227
116.85
mp-10633
-3.366863
-2.343458
-4.575747
other
Tm2S4
6
227
116.68
mp-842
-8.145127
-3.302775
2.48525
other
Ca2Pt4
6
227
112.41
mp-537
-8.645897
-0.475295
5.007746
other
Er2Co4
6
227
89.31
mp-1808
-6.197471
-2.89898
3.901818
other
Ti16Ni8
24
227
355.36
mp-819
-6.607972
-1.323932
4.416412
other
Hf2Cr4
6
227
87.57
mp-1191460
-6.964125
-1.641199
4.797345
other
Hf12Mn12
24
227
393.01
mp-1211328
-7.494143
-6.831885
7.241821
other
Sm8Co2
10
227
312.77
mp-1207489
-5.546948
-3.916554
3.838903
other
Zr8Ni2
10
227
235.99
mp-2265
-8.694642
-0.561285
5.016034
other
Tb2Co4
6
227
91.99
mp-995
-8.375796
-2.837816
3.79981
original
Eu2Ir4
6
227
111.23
mp-1211157
-5.125811
-7.358083
3.857466
other
Li2Ca8
10
227
407.25
mp-1214182
-6.34928
-5.547692
0.432064
other
Bi8Au2
10
227
340.89
mp-1209724
-7.088028
-6.909258
7.243103
other
Pr8Al2
10
227
384.51
mp-253
-8.65334
-0.554435
4.681568
other
Sc2Co4
6
227
81.96
mp-25262
10.894428
12.698514
1.874854
other
Ti4O8
12
227
150.21
mp-561090
15.70414
5.610856
0.341032
other
Si34O68
102
227
2,004.68
mp-1728
-8.71524
-2.482028
4.097703
other
Lu2Rh4
6
227
101.81
mp-1209964
-7.073452
-6.798717
7.084845
other
Nd8Al2
10
227
374.76
mp-1207477
-5.60497
-4.014451
3.925738
other
Zr8Mn2
10
227
231.66
mp-1215144
6.538557
7.261463
-2.249622
other
As8O24
32
227
14,163.2
mp-863
-8.38441
-0.700526
4.612249
original
Pu2Co4
6
227
90.41
mp-20075
-7.542817
-1.091845
5.534232
other
Tb2Mn4
6
227
95.52
mp-1190654
-6.321583
-3.878431
4.001496
other
Hf16Pd8
24
227
480.68
mp-1207604
-6.366648
-7.104863
3.992959
other
Yb8Pt2
10
227
390.97
mp-1558
-7.743555
-5.326405
2.83452
other
Sr2Pd4
6
227
121.92
mp-2628
-8.686985
-0.432373
5.004558
other
Dy2Co4
6
227
91.11
mp-583800
-6.059345
-3.819273
4.011922
other
Zr16Cu8
24
227
463.29
mp-589
-7.691551
0.002648
5.830945
other
Tb2Fe4
6
227
98.55
mp-510430
-6.4405
-6.913279
3.319186
other
Li26In6
32
227
577.06
mp-543019
-8.938742
-1.622685
2.813409
other
Gd2Ni4
6
227
91.23
mp-813
-7.153204
-3.86877
6.005156
other
Sc2Al4
6
227
107.82
mp-1208443
-6.137471
-6.235079
5.849024
other
Th8Mg2
10
227
376.24
mp-1052
-8.313126
-6.346427
2.260516
other
Na2Au4
6
227
120.58
mp-1207883
-7.118473
-6.695511
6.911226
other
Y8Ni2
10
227
307.14
mp-1210831
-7.601008
-6.579821
6.862711
other
Lu8Fe2
10
227
268.72
mp-30865
-8.716144
-2.436574
4.067509
other
Tm2Rh4
6
227
102.97
mp-1208068
-7.908533
-6.582777
6.978113
other
Tm8Rh2
10
227
302.38
mp-754381
1.884261
1.833971
2.431227
other
Zr6N8
14
227
191.07
mp-1187676
-7.881027
-9.299063
6.851928
other
Tm2Mg4
6
227
149.66
mp-1859
-7.297865
-0.995264
4.912329
other
Np2Mn4
6
227
83.82
mp-1210855
-6.891128
-11.003931
5.295681
other
Mg8Cu2
10
227
243.23
mp-1191331
-6.263029
-2.369625
4.010121
other
Ti16Co8
24
227
348.06
mp-840
-8.785359
-2.51707
3.937212
original
Sm2Rh4
6
227
108.19
mp-2130
-9.200698
-1.407218
3.058974
original
Lu2Ni4
6
227
85.24
mp-1071283
-5.513503
-2.549232
3.890988
other
Nb4Fe2
6
227
103.31
mp-1192264
-6.072632
-3.151765
3.86577
other
Ti16Cu8
24
227
375.62
mp-969
-6.740685
-4.728856
5.756075
other
Yb2Al4
6
227
126.71
mp-1207443
-5.466662
-3.779301
3.825409
other
Zr8Cr2
10
227
231.89
mp-1014373
0.695429
3.052606
1.593428
other
Cr2N4
6
227
126.95
mp-1208483
-4.990577
-7.595764
3.479971
other
Sr8Al2
10
227
554.11
mp-1654
-9.139221
-1.684868
3.069301
other
Ce2Ni4
6
227
90.3
mp-1208529
-7.399478
-6.610242
6.915785
other
Tb8Co2
10
227
295.66
mp-1100189
-4.286645
-4.957277
-3.416093
other
Ce34Se68
102
227
9,547.46
mp-1208015
-7.338093
-6.778018
6.943201
other
Tm8Al2
10
227
334.09
mp-1729
-7.620194
0.00747
5.778459
other
Sm2Fe4
6
227
102.12
mp-2075
2.679978
2.256554
1.703396
other
Si6N8
14
227
118.07
mp-1208139
-7.766646
-6.681297
7.030785
other
Tm8Co2
10
227
286.9
mp-1208526
-7.172043
-6.546102
6.873363
other
Tb8Mn2
10
227
292.09
mp-1208944
-7.625189
-6.724884
7.114172
other
Sm8Rh2
10
227
331.16
mp-2463
-7.713481
0.039323
5.836548
other
Lu2Fe4
6
227
93.46
mp-2570
-7.665842
0.321346
5.002466
other
Pu2Fe4
6
227
78.71
mp-1207459
-5.478322
-4.15447
3.946035
other
Zr8Zn2
10
227
254.23
mp-568769
-8.743007
-0.902248
4.983671
other
La2Co4
6
227
93.24
mp-1388164
10.358644
9.818394
-0.734936
other
Sb4O8
12
227
214.09
mp-1215037
-4.50138
-2.106041
4.169371
other
Be52Re4
56
227
618.95
mp-339
-7.299296
-1.445456
5.060802
other
U2Mn4
6
227
97.64
mp-30888
-9.387094
-5.50075
3.503518
other
Zr2Zn44
46
227
675.73
mp-21049
-7.771778
-9.022205
6.695032
other
Gd2Mg4
6
227
159.39
mp-1183802
-7.958807
-9.124115
6.925757
other
Dy2Mg4
6
227
153.46
mp-1208119
-5.383921
-3.776954
3.697721
other
U8Fe2
10
227
213.49
mp-1343
-9.12609
-1.467401
2.764568
other
Nd2Ni4
6
227
95.27
mp-1437
-7.030898
-7.16533
2.993554
other
Li2Cd2
4
227
74.01
mp-1444811
-5.264275
-0.695117
-4.251037
other
Ni4S8
12
227
206.59
mp-1187860
-7.909066
-9.36423
6.922934
other
Y2Mg4
6
227
155.83
mp-2250
-8.297907
-1.790869
3.305206
other
Zr2Ni4
6
227
82.55
mp-542488
-8.300612
-0.844305
4.514688
other
Mg12Co12
24
227
365.89