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-19438
6.465731
9.699157
-2.466915
other
Li2Mn2O8
12
63
155.12
mp-1208948
-8.288108
-3.48667
4.984054
other
Sm4Ga18Rh6
28
63
469.15
mp-1042886
10.720675
12.291669
2.294804
other
Mg2Ti4O10
16
63
217.17
mp-7774
-5.486847
-6.136814
0.655013
other
Na4Sb2Au2
8
63
205.58
mp-3128
-5.237702
-3.216299
5.911785
other
Er2Co2Si4
8
63
125.85
mp-1078659
7.60276
11.206016
0.11628
other
Ca2Rh2O6
10
63
111.34
mp-1025520
-7.423853
-6.144275
3.323448
other
Ba2In4Pd2
8
63
221.45
mp-755191
10.62986
0.024387
0.284097
other
Li2Mn2F8
12
63
155.37
mp-569385
-7.672558
-4.013072
5.79246
other
Dy2Al4Ni2
8
63
140.5
mp-849403
10.078019
0.608286
0.218297
other
Li8Fe20F68
96
63
1,405.71
mp-3440
-6.897492
-4.710623
5.552233
other
Li4Lu6Ge6
16
63
320.51
mp-1205862
-1.244281
2.303396
-2.046463
other
Rb2Sr2I6
10
63
462.73
mp-1246642
4.6714
2.3293
-3.154766
other
Ru2C12N18
32
63
543.06
mp-1078435
-7.234951
-6.139436
3.202373
other
Ba2Cd4Pt2
8
63
211.9
mp-28308
-4.127303
-0.098144
-3.850762
other
Ta4Ni2S10
16
63
329.43
mp-1208164
8.451943
1.770065
0.768033
other
Tl4Sb2F10
16
63
296.26
mp-1047431
9.995235
8.794703
-0.375967
other
Zn2Bi4O8
14
63
209.99
mp-22131
-8.013929
-3.692831
5.386559
other
Sm2Ga8Co2
12
63
205.46
mp-11444
-8.119997
-4.406854
5.314669
other
Y2Ga4Ni2
8
63
136.75
mp-651048
9.134854
8.592198
-1.175815
other
Ag36Bi8O24
68
63
1,964.69
mp-1180548
7.574495
6.356711
-2.825807
other
Li2I2O6
10
63
159.85
mp-1190670
-3.980617
1.562833
3.037759
other
Gd6B14W2
22
63
268.17
mp-1084813
-7.640067
-4.210157
4.983605
other
Nd2Cu2Ge4
8
63
153.98
mp-1205364
9.912707
11.183692
3.022446
other
Ca4Ti4O12
20
63
225.03
mp-542403
-7.458358
-4.681892
3.247923
other
Ho2Co2Sn4
8
63
202.81
mp-1207775
-8.300111
-3.479504
5.005573
other
Y4Ga18Rh6
28
63
461.14
mp-1102499
-8.051676
-4.266252
5.095882
other
Sm2Ga8Ni2
12
63
210.94
mp-30432
-6.920809
-6.016776
2.562937
other
Ba2Rh6Pb12
20
63
518.23
mp-1047659
8.86932
14.82895
-0.372674
other
Mg2Mn4O8
14
63
142.23
mp-754186
8.515356
14.545512
-1.011736
other
Mn4In2O10
16
63
201.27
mp-1212986
7.494544
10.111901
0.273364
other
Eu6Mo2O14
22
63
313.95
mp-18927
12.395219
8.965048
2.621738
other
Zr6Ni2O2
10
63
161.77
mp-1091364
-7.162112
-6.042031
3.924771
other
Li2Dy2Sn4
8
63
187.92
mp-27360
11.522297
10.797951
-0.251759
other
Re2Bi2O8
12
63
160.45
mp-18926
7.817736
10.657426
1.905916
other
La6Ni4O14
24
63
310.73
mp-14542
-4.164211
1.580982
3.184178
other
Y6Fe2B14
22
63
249.81
mp-1211408
-6.561513
-2.52944
6.465703
other
Lu6Al60Re12
78
63
1,260.93
mp-1191117
9.703562
9.10773
2.365243
other
Gd6Sb2O14
22
63
301.82
mp-1079352
7.725832
10.968795
0.829966
other
Sr2Ru2O6
10
63
124.55
mp-556870
12.554642
7.697901
0.501077
other
Mg2Al4O8
14
63
123.11
mp-1101481
8.314316
14.799983
-0.878056
other
Na8Mn16O32
56
63
587.27
mp-1191378
10.100015
9.226456
2.58803
other
Tb6Sb2O14
22
63
293.37
mp-1193699
-8.078772
-3.105153
5.303055
other
Tb4Ga18Co6
28
63
443.49
mp-1105036
-5.595559
0.374695
3.234038
other
Ni2B6Mo6
14
63
145.87
mp-649813
8.644217
14.20464
-1.00175
other
Mn28Pb12O60
100
63
1,256.76
mp-8411
-4.733063
-5.703991
0.461792
other
Na4Ag2As2
8
63
181.04
mp-1025389
-7.707891
-3.802737
5.713591
other
Lu2Al4Ni2
8
63
134.09
mp-1078237
9.476812
0.576408
0.059298
other
Na2Ni2F6
10
63
108.51
mp-1047669
12.875914
12.395494
-0.607071
other
V4Zn2O8
14
63
145.33
mp-1188368
-7.776537
-2.814951
5.252432
other
Lu6Ge6Ru4
16
63
309.01
mp-1199094
8.081968
8.063293
-2.098018
other
Sm8Ge6O30
44
63
620.28
mp-1078429
-7.972175
-4.881279
4.115373
other
Eu2Ga6Pd2
10
63
195.12
mp-1092225
-2.744256
-2.790452
-5.218135
other
Ce2Lu2S6
10
63
230.36
mp-1191047
7.917159
10.572261
1.798804
other
Tb6Ru2O14
22
63
280.21
mp-1047380
11.309196
9.513817
0.371059
other
Mg2Sb4O8
14
63
192.8
mp-1080693
-5.453218
-6.057702
0.742007
other
Cs4Bi4Pd2
10
63
418.89
mp-1211207
-8.282318
-5.717772
5.028011
other
Nd10In20Ni10
40
63
895.42
mp-29410
-2.772542
-0.796732
-5.461712
other
Li4B4S10
18
63
355.48
mp-1047375
9.85857
8.707675
-0.078974
other
Mg2Bi4O8
14
63
206.44
mp-8998
-5.841436
-2.256845
-1.477447
other
Ta2Ni2Te10
14
63
389.63
mp-19044
6.086615
9.772986
-2.075866
other
Na4Fe2O8
14
63
198.86
mp-1095674
-0.507263
1.524402
-4.693273
other
Cs4Li2Br6
12
63
440.06
mp-540915
7.526633
8.883812
-0.149129
other
Eu6Br2O8
16
63
296.41
mp-9767
-5.296074
-4.520973
0.604107
other
Ba2As4Pd2
8
63
190.19
mp-1211196
-6.408993
-6.769718
2.794095
other
Li16Ca2Sn14
32
63
717.86
mp-5792
-6.856195
-6.25204
2.989182
other
Ba2Cu2Sn4
8
63
220.6
mp-1079695
-0.838385
1.571143
2.484145
other
V6Ge2N2
10
63
117.59
mp-22008
-7.883363
-5.839596
3.437837
other
Eu2In8Pd2
12
63
289.23
mp-1206676
-1.187636
2.003706
-1.816221
other
Rb2Sm2I6
10
63
429.66
mp-1100371
-3.374174
-1.595199
-5.673442
other
Ca6Sn6S18
30
63
777.39
mp-1079374
1.820457
1.833653
2.236292
other
Th2Ta2N6
10
63
131.29
mp-3213
-5.137311
-3.259925
5.875099
other
La2Mn2Si4
8
63
157.42
mp-1205521
-0.167238
1.1246
-4.213721
other
Ca2Tl2Br6
10
63
328.63
mp-1080480
-4.748613
-4.311759
5.785296
other
Ce2Si4Ag2
8
63
156.62
mp-11486
-7.33696
-2.693617
6.025465
other
Y4Al18Co6
28
63
443.47
mp-31183
-7.333744
-3.445105
6.024552
other
Er2Al8Ni2
12
63
200.68
mp-1102576
-8.167304
-5.565104
4.529846
other
Pr2In8Ni2
12
63
276.5
mp-1211198
8.815212
8.093841
-2.659547
other
Li6Si2O8
16
63
174.15
mp-759794
6.576418
9.578873
-2.415904
other
Na2Mn2O8
12
63
188.03
mp-10566
-2.397183
0.351546
2.599475
other
Lu6B2C6
14
63
193.64
mp-7276
-2.837542
-2.707886
-4.531705
other
Sc2U2S6
10
63
211.81
mp-1178405
9.934357
8.495956
0.628984
other
Cs4Hf2O6
12
63
257.38
mp-1095333
-8.118159
-5.375092
3.899236
other
Eu2In8Ir2
12
63
286.63
mp-1189707
-8.481493
-6.604404
4.787176
other
Nd4Zn10Pb2
16
63
335.65
mp-1043328
12.786287
10.630296
-0.538583
other
Ca2Mo4O10
16
63
270.63
mp-1029331
1.704449
1.788955
2.448345
other
Li2Hf4N6
12
63
160.23
mp-12469
-8.437453
-6.216653
3.798966
other
La2Cd4Pd2
8
63
186.19
mp-1370323
7.768886
13.43189
-1.425748
other
Zn2Co10O14
26
63
244.73
mp-1214010
7.105291
8.960058
-0.547889
other
Ca6Tl2O10
18
63
261.12
mp-734025
7.469819
5.899321
-3.240165
other
Na4Se2O10
16
63
264.96
mp-20764
-4.227901
-4.17449
-3.595908
other
Yb2Ce2Se6
10
63
270.48
mp-1246119
4.714757
2.269327
-3.140431
other
Bi2C12N18
32
63
520.43
mp-17743
9.372706
9.293222
1.524153
other
Sr6Sn4O14
24
63
342.23
mp-19968
-7.802522
-6.244981
3.814811
other
Ca2In4Cu2
8
63
177.08
mp-18726
8.125367
11.149386
-3.27616
other
Cr2Ni2O8
12
63
135.8
mp-850933
5.150985
11.366858
-2.291262
other
Fe8O14F2
24
63
259.04
mp-1208059
-8.304305
-3.431994
5.026113
other
Tm4Ga18Rh6
28
63
453.72
mp-28925
-4.663874
-3.70663
0.676091
other
Ca8P10Pd10
28
63
532.85
mp-2647075
12.12749
8.16585
1.76058
other
Hf2Al4O10
16
63
181.08
mp-1104144
-6.722676
-4.802883
5.468827
other
Li4Sm4Ge6
14
63
278.49