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-772261
11.957961
7.138945
-3.749725
other
La2As2O8
12
141
179.88
mp-1283531
12.754293
12.762699
-0.608688
other
Li2V2O4
8
141
74.52
mp-7374
8.256629
9.58116
0.420378
other
Ba2Cu4O4
10
141
166.64
mp-1214287
-4.610726
-4.550826
5.822485
other
Ce8Mg4Si16
28
141
612.26
mp-1213992
12.495384
9.646161
1.746741
other
Ca4Nb4O8
16
141
222.51
mp-556415
8.2129
17.254953
0.010088
other
Li4Mn4O8
16
141
146.94
mp-1173377
10.761652
8.892939
3.27661
other
Nd2Pa2O8
12
141
163.43
mp-19007
14.55392
9.260588
-3.133538
other
V4P2O10
16
141
179.63
mp-4362
7.505994
10.216807
-0.82693
other
Cu4Ag4O6
14
141
193.02
mp-19023
8.017372
9.898777
-3.784728
other
Yb2Cr2O8
12
141
163.06
mp-37680
-4.348799
-4.080817
-3.861826
other
Li2Gd2Se4
8
141
192.31
mp-1210965
8.823995
2.443179
2.000233
other
Li4Y4F8
16
141
287.41
mp-759897
9.305098
1.189729
-0.327457
other
Cu4O2F4
10
141
165.48
mp-38505
-5.141346
-2.929277
-4.297753
other
Ga2Cu2Se4
8
141
150.08
mp-1246066
2.269357
1.969327
2.044892
other
Sc2Al2N4
8
141
81.25
mp-755070
11.884054
8.936028
1.825801
other
Ce2Sm2O4
8
141
123.37
mp-625502
10.641697
11.1218
-3.007375
other
H4W4O14
22
141
282.69
mp-1210953
8.518387
1.610022
1.911377
other
Li4Yb4F8
16
141
248.5
mp-755557
6.362082
12.831129
-1.362586
other
Mg2Ni4O8
14
141
138.48
mp-1078460
-6.890317
-6.359407
2.773736
other
Li4Cu2Sn4
10
141
187.77
mp-759367
11.338033
8.784262
2.238167
other
Yb2Nd2O4
8
141
118.52
mp-569532
-5.118194
-3.160407
1.471758
other
Ti4Cu8P4
16
141
207.12
mp-1246240
1.703895
2.20308
0.721056
other
Na12Ni4N8
24
141
400.72
mp-1209340
12.115246
10.459702
0.463571
other
Rb4Re4O8
16
141
287.49
mp-1208542
12.065269
9.724113
1.263311
other
Tb4V4O8
16
141
264.42
mp-5836
12.277837
6.757854
0.539896
other
Th2Si2O8
12
141
161.6
mp-19121
10.889046
12.391582
-3.566715
original
Tb2V2O8
12
141
161.66
mp-28323
1.917215
2.827026
-4.636671
other
Pd4Cl4O2
10
141
210.89
mp-1213897
12.565991
9.923926
0.591909
other
Ca4W4O8
16
141
232.19
mp-4624
13.855627
4.763158
-2.612674
other
Ta2B2O8
12
141
106.43
mp-19076
8.479253
10.603892
-3.129705
other
Ho2Cr2O8
12
141
155.47
mp-1209164
12.490879
9.733936
0.97459
other
Sm4Cr8O8
20
141
373.81
mp-755883
9.751507
8.467429
3.153708
other
Na2Dy2O4
8
141
107.74
mp-1188325
7.520905
3.697164
-5.660085
other
Ca2C8O8
18
141
251.16
mp-1211793
-3.972996
-1.207657
-5.645318
other
Li8Au2S8
18
141
324.84
mp-18784
10.887993
12.316525
-3.529214
other
Dy2V2O8
12
141
159.62
mp-1208249
12.189958
8.316916
0.577087
other
Tm4As8O8
20
141
696.06
mp-1212589
12.465597
9.8679
0.926604
other
Ho4Cr8O8
20
141
380.39
mp-1101756
12.083233
7.402527
-0.98176
other
Ti2Si2O8
12
141
119.05
mp-1173513
-3.557767
-1.505692
-5.302027
other
Na2Sb2S4
8
141
179.74
mp-1102008
13.96668
5.097711
-6.564911
other
Pr2P2O8
12
141
159.68
mp-1103973
11.049936
13.36911
-0.535266
other
Cr4Cu2O8
14
141
150.51
mp-1208656
12.083455
9.991483
0.916301
other
Sr4Re4O8
16
141
238.05
mp-1247550
1.799358
2.236542
1.104185
other
Na12Ga4N8
24
141
415.91
mp-1181092
10.544292
11.674869
-2.598651
other
H4W4O14
22
141
255.79
mp-1214335
12.128805
10.492654
-0.084643
other
Ca4V8O8
20
141
421.06
mp-19240
8.517803
10.691938
-3.205542
other
Er2Cr2O8
12
141
153.59
mp-1105140
10.15642
8.040606
-6.458402
other
Co4P2O10
16
141
179.6
mp-36536
-2.827236
-2.61055
-5.209679
other
Na2Ce2S4
8
141
194.99
mp-1216332
8.205027
1.849754
-0.962402
other
Yb12O8F40
60
141
927.92
mp-769598
8.160373
10.348927
2.403148
other
La16Mn4O32
52
141
740.5
mp-36791
-2.662224
-2.685914
-5.765408
other
Li2Nd2S4
8
141
180.26
mp-4609
12.821719
6.381583
-0.800037
other
Hf2Si2O8
12
141
128.08
mp-1212471
12.213152
10.211421
1.373543
other
La4V8O8
20
141
427.92
mp-1080714
-6.835169
-6.620378
2.563312
other
Li4Ag2Sn4
10
141
209.7
mp-22647
8.471601
10.567937
-3.154625
other
Tm2Cr2O8
12
141
151.8
mp-1211041
8.967074
2.477663
2.05565
other
Li4Y4F8
16
141
254.5
mp-35015
-4.724817
-3.095006
-3.578826
other
Na2Bi2Se4
8
141
217.03
mp-1173345
11.220009
9.234426
2.730528
other
Pa2In2O8
12
141
149.13
mp-1208594
12.28761
8.92847
1.244567
other
Th4Si8O8
20
141
887.87
mp-756146
6.98059
9.565155
-1.612016
other
Mg2Ag4O8
14
141
205.02
mp-1210440
-4.68959
-4.499583
6.149449
other
Pr8Mg4Si16
28
141
635.22
mp-1190872
-8.426222
-1.44258
2.790949
other
Eu2Si4Ni18
24
141
297.96
mp-1384673
-4.836436
0.008276
-5.042231
other
Ca2V4S8
14
141
296.89
mp-1211539
8.80045
10.927239
0.60632
other
K4Ru4O8
16
141
255.69
mp-1237488
12.518413
9.88087
1.180522
other
Sc4V8O8
20
141
315.53
mp-12929
11.931567
7.167487
-3.770649
other
Sm2As2O8
12
141
166.58
mp-37014
10.68474
8.862623
3.199224
other
Gd2Pa2O8
12
141
157.79
mp-690555
13.217719
12.25731
-0.098994
other
V4N2O2
8
141
84.12
mp-4169
12.059771
8.87396
1.484654
other
U2Si2O8
12
141
155.13
mp-1213546
12.253574
10.121595
1.008674
other
Dy4Cr8O8
20
141
400.91
mp-1209973
12.529298
9.707788
0.997887
other
Pr4V8O8
20
141
378.49
mp-753306
11.173807
8.582485
2.344173
other
Y2U2O8
12
141
151.45
mp-1178498
7.275548
13.185991
-1.624823
other
Cd2Co4O8
14
141
167.03
mp-1047132
7.083381
9.556857
-1.583209
other
Ca2Ag4O8
14
141
231.48
mp-1045414
-3.791313
-0.818143
-4.846586
other
Y2Ti4S8
14
141
309.36
mp-1247474
1.93052
2.437397
0.137375
other
Li12Bi4N8
24
141
466.81
mp-1214059
11.593498
10.602449
1.029489
other
Ca4Cr4O8
16
141
209.88
mp-1301323
6.948592
13.657867
-1.732595
other
Mg2Co4O8
14
141
148.72
mp-1208186
12.267303
9.851807
0.848793
other
V8Bi4O8
20
141
344.25
mp-1213643
12.572985
9.790563
0.942662
other
Er4V8O8
20
141
360.52
mp-36800
1.416527
1.797317
2.461575
other
Mg2Ta2N4
8
141
82.89
mp-1387032
-5.291212
-0.929237
-4.626768
other
Ca2Ni4S8
14
141
265.03
mp-35388
-4.332764
-4.141766
-3.847122
other
Li2Sm2Se4
8
141
195.78
mp-18812
11.024277
12.151477
-3.406565
other
Nd2V2O8
12
141
174.76
mp-770635
6.303934
13.524983
-1.323808
other
Li2Ni2O4
8
141
64.74
mp-33588
2.087175
2.209724
1.485684
other
Ca4N2F2
8
141
125.85
mp-1245419
1.51845
2.234196
1.240337
other
Li12Mn4N8
24
141
260.65
mp-1406903
6.982021
13.404127
-1.53107
other
Ca2Co4O8
14
141
171.32
mp-1045362
-5.340188
-0.541444
-5.806591
other
Y2Cr4S8
14
141
297.15
mp-22244
8.36654
10.587664
-3.118315
other
Gd2Cr2O8
12
141
163.3
mp-1247756
-3.60669
-1.772255
-5.223161
other
Tl2Sb2S4
8
141
206.76
mp-546125
12.363897
6.965311
-4.191323
other
Sc2As2O8
12
141
139.55
mp-33526
-3.855582
-1.768522
-5.39732
other
Li2Bi2S4
8
141
171.85
mp-1208337
11.634463
11.045694
0.61121
other
Tc4Ag4O8
16
141
218.07
mp-5840
10.315841
8.790856
3.241993
other
Li2Sc2O4
8
141
81.21
mp-1173060
-4.015822
-1.855509
-5.314794
other
Ag2Bi2S4
8
141
182.29
mp-27649
11.147016
8.830616
1.226789
other
Ba2U4O14
20
141
307.2
mp-1208938
11.789937
9.153258
1.297738
other
Sm4As4O8
16
141
252.41
mp-677311
11.487178
10.701676
-0.084263
other
Re12Pb12O40
64
141
886.91