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-31471
-6.185557
-6.392284
1.46918
other
K6Pb2Au10
18
74
479.01
mp-1103026
-6.736634
-2.490718
5.109856
other
Nd2Si4Rh6
12
74
193.89
mp-1041542
9.813201
8.706459
-0.350164
other
Zn2Bi4O8
14
74
221.28
mp-1215987
-7.636363
0.035537
5.397955
other
Y2Fe2Ni2
6
74
95.4
mp-1226566
-7.786907
-1.958672
4.646026
other
Ce2Os2Ru2
6
74
108.76
mp-1205795
-9.194708
-0.823306
2.688805
other
La2Ni6B2
10
74
142.97
mp-12866
9.41256
9.375051
1.300335
other
Sr2Sn2O6
10
74
133.33
mp-34783
10.910412
8.495218
-0.601687
other
Ga4Cu2O8
14
74
148.96
mp-1215521
-8.534902
-4.725247
4.811068
other
Yb2Al2Cu2
6
74
111.9
mp-755614
6.568489
11.524837
-1.973356
other
Co2Bi2O8
12
74
166.17
mp-1247739
-4.853009
-0.24725
-5.120821
other
Zr2Cr2S8
12
74
251.94
mp-976190
-5.984144
-6.3762
1.371641
other
K6Tl2Au10
18
74
475.21
mp-2923
8.199687
11.05952
0.586504
other
Ca4Os4O14
22
74
272.49
mp-34210
12.469725
7.606786
0.453993
other
Al4Zn2O8
14
74
137.03
mp-1103684
13.064064
9.229913
-0.758746
other
Fe4Si2O8
14
74
140.37
mp-13211
9.678797
9.480191
-1.960297
other
Ag4Te4O14
22
74
281.43
mp-22367
8.438734
9.875162
-0.597716
other
Pd2Pb2O4
8
74
121.9
mp-1045412
12.857419
10.979131
1.856614
other
Ti4Zn2O8
14
74
154.01
mp-1180531
8.752746
14.523058
-1.234847
other
Mn4Ni2O8
14
74
158.01
mp-1279232
7.409726
12.719872
-1.413611
other
Fe2Ni4O8
14
74
146.57
mp-35236
11.036762
8.812783
-0.710183
other
Ga8Ni4O16
28
74
283.01
mp-1080575
10.162946
9.696512
4.037338
other
Sr2Zr2O6
10
74
139.45
mp-1047763
11.372265
9.558353
0.307784
other
Mg2Sb4O8
14
74
203.74
mp-568803
-3.411789
1.944564
2.762514
other
Mg2B24C4
30
74
217.6
mp-1222739
-0.278564
1.222934
-4.468132
other
Li4Mg2Br8
14
74
336.48
mp-1041517
11.162873
9.53125
0.358771
other
Ca2Sb4O8
14
74
225.99
mp-1080060
10.539777
8.72007
2.378018
other
La2Al2O6
10
74
108.78
mp-721657
4.091552
2.684638
-3.84989
other
Sn2C4Cl4
10
74
287.37
mp-34148
1.500211
2.435541
-5.428798
other
Li4Mn2Cl8
14
74
284.16
mp-556003
9.921372
11.180682
3.015705
other
Ca2Ti2O6
10
74
112.53
mp-674493
-4.519667
-0.992232
-5.643126
other
In4Ni2S8
14
74
295.25
mp-1221655
7.04178
12.957273
-1.873457
other
Mn2Fe2O8
12
74
138.56
mp-1215168
-6.08038
-1.727291
4.011267
other
Zr2V2Mo2
6
74
104.16
mp-34433
11.607603
11.166296
0.877082
original
Mg4Tc2O8
14
74
161.23
mp-38307
12.553189
7.443452
0.421797
other
Mg2Al4O8
14
74
129.47
mp-1216385
-4.529717
-0.331665
-4.910295
other
V2Cu2S8
12
74
224.85
mp-1079798
4.454805
2.685371
-3.511451
other
Sn2C4Cl4
10
74
257.11
mp-1045353
-5.259626
-0.640152
-4.60913
other
Mg2Co4S8
14
74
230.81
mp-1222957
12.092293
11.466496
0.16449
other
Li4Fe6O8
18
74
176.73
mp-39010
11.516956
12.734865
-0.472094
other
Mg2Cr4O8
14
74
151.9
mp-1216321
-8.077123
-1.379676
4.384854
other
U2Co2Ni2
6
74
84.07
mp-1047786
11.160304
9.38001
0.429107
other
Mg2Sn4O8
14
74
200.52
mp-1924009
-5.064627
-0.889312
-5.085735
other
Y2Fe4S8
14
74
274.52
mp-1215943
-7.527553
-0.420187
5.676819
other
Y2Mn2Fe2
6
74
96.7
mp-1225552
-7.509624
-0.363697
5.667176
other
Dy2Mn2Fe2
6
74
96.11
mp-1042036
12.705432
10.055394
0.379566
other
Ca2W4O8
14
74
196.12
mp-1215618
-8.07711
-0.485908
5.156454
other
Yb2Fe2Cu2
6
74
95.9
mp-1219467
8.836698
9.829544
-3.280996
other
Sb2W2O14
18
74
282.05
mp-1220680
8.288178
9.567105
-1.061977
other
Nb4Tl2O14
20
74
304.74
mp-5392
13.070879
7.089485
-0.418281
other
Mg8Si4O16
28
74
303.71
mp-775331
12.771313
12.735667
-0.592221
other
Li4V4O8
16
74
150.07
mp-569726
-3.472619
1.853473
2.807276
other
Ho2Al2B28
32
74
254.97
mp-1045443
-4.872446
0.201572
-4.950995
other
Li2V4S8
14
74
235.82
mp-680551
-9.255243
-0.820304
2.621791
other
Nd6Ni24B6
36
74
458.81
mp-1216650
-7.551738
-0.76293
4.670587
other
U2Fe2Co2
6
74
79.65
mp-1041947
12.762176
10.070585
0.367014
other
Mg2W4O8
14
74
182.27
mp-725670
2.508829
2.810313
-3.739548
other
Zn2N4Cl4
10
74
276.03
mp-19089
11.234004
9.54701
0.450578
other
U2Co2O8
12
74
152.02
mp-756501
9.48121
11.577454
-2.005947
other
Co2Te2O8
12
74
166.85
mp-1204934
11.992387
8.252584
-4.7807
other
Cr6As6O24
36
74
460.3
mp-1222207
-5.028626
-0.767231
-5.36096
other
Mn4Sn2S8
14
74
268.98
mp-1276134
12.960229
12.465343
-0.67757
other
V4Fe2O8
14
74
157.55
mp-1247743
-4.854734
0.200139
-5.249743
other
Ti2Cr2S8
12
74
226.53
mp-1215957
-8.4842
-0.794933
4.514437
other
Y2Co2Ni2
6
74
91.41
mp-1220183
-8.256793
-1.341467
5.091068
other
Nd2Co2Ru2
6
74
106.18
mp-755197
14.200849
12.75862
-1.305852
other
V4O6F2
12
74
125.1
mp-7858
11.255605
9.03196
1.139523
other
Mg2U2O8
12
74
148.57
mp-1205353
9.457237
0.995375
1.54088
other
K2Mn2F6
10
74
145.38
mp-1225599
-8.577636
-0.659902
4.573071
other
Er2Co2Ni2
6
74
88.69
mp-1099757
12.437121
9.830958
1.875977
other
Sm4Ti4O10
18
74
233.98
mp-1178513
9.108164
9.309326
1.313614
other
Ba2Sn2O6
10
74
147.1
mp-1045350
-3.906777
-0.28521
-4.587747
other
Ti4Zn2S8
14
74
250.89
mp-8204
-3.400739
1.845219
2.802224
other
Li2Al2B28
32
74
244.49
mp-1047267
11.294519
9.314145
0.433146
other
Mg2Sn4O8
14
74
203.23
mp-1217845
8.821256
9.836398
-3.13166
other
Ta2W2O14
18
74
289.87
mp-1078341
12.307875
10.248565
2.450451
other
Eu2Nb2O6
10
74
131.98
mp-1209840
-6.046993
-2.816945
5.604777
other
Nd2Si4Ir6
12
74
197.1
mp-1097010
8.492008
10.15102
-0.017199
other
Cu2Pb2O4
8
74
115.47
mp-34563
8.771772
14.477797
-0.98333
other
Mn4Cu2O8
14
74
156.71
mp-1504268
6.574518
11.275816
1.0931
other
La2Co2O6
10
74
119.41
mp-764034
5.876679
12.2312
-1.659752
other
Na2Fe4O8
14
74
161.67
mp-1293027
8.400031
14.933639
-0.923537
other
Na2Mn4O8
14
74
164.47
mp-1101434
9.461331
11.294135
-1.782313
other
Ni2Te2O8
12
74
162.74
mp-1226564
-7.923225
-2.200269
4.523496
other
Ce2Ir2Os2
6
74
109.92
mp-1226368
-5.454566
-0.325592
-5.890426
other
Cr4In2S8
14
74
282.73
mp-753138
12.50647
0.971008
2.467507
other
Fe4O2F6
12
74
145
mp-1223954
-7.769855
0.157803
5.347571
other
Ho2Fe2Ni2
6
74
89.57
mp-1041524
9.593204
8.715317
-0.018647
other
Ca2Bi4O8
14
74
244.38
mp-1216308
-6.661749
-1.113098
4.415196
other
U2Cr2Fe2
6
74
86.72
mp-34864
11.909313
12.768059
-0.732874
other
V2Fe4O8
14
74
158.91
mp-1041899
12.832777
12.127888
-0.581698
other
V4Zn2O8
14
74
159.69
mp-1272804
8.486753
14.998431
-0.919958
original
Li2Mn4O8
14
74
148.66
mp-37614
12.502513
7.740462
-0.43616
other
Al8Ni4O16
28
74
258.81
mp-6909
7.120232
8.377582
-0.460405
other
Ba2Pr2O6
10
74
189.85
mp-1045429
-5.422869
-0.713103
-4.449418
other
Y2Co4S8
14
74
254.17
mp-863066
10.892551
11.606016
2.900663
other
Ta12Pb8O38
58
74
904.53
mp-1077182
-4.991352
-4.31504
6.145755
other
Nd2Si2Ge2
6
74
131.77
mp-33708
9.559616
13.422863
-0.860899
other
Mn2Fe4O8
14
74
160.3
mp-1216551
-8.361761
-4.841063
5.397065
other
Tm2Al2Cu2
6
74
108.11
mp-35909
-1.077121
2.567355
-3.062534
other
Ag2Bi2I8
12
74
505.98