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-974586
3.218265
-0.513685
-2.546823
other
Rb4Mg2H8
14
63
380.2
mp-1102153
-5.1833
-2.488033
-3.388553
other
Ba2Fe4Se6
12
63
301.16
mp-775154
10.589238
0.089346
0.256314
other
Li6Mn6F24
36
63
460.25
mp-756811
-3.711145
-1.102537
-5.669791
other
Li8Ti2S8
18
63
350.67
mp-29736
-7.009285
-4.588887
6.070636
other
Y2Al2Ge2
6
63
121.47
mp-8759
10.039661
8.580345
0.636554
other
Cs4Zr2O6
12
63
261.42
mp-1047720
6.254341
12.404949
-1.130872
other
Ca2Ni4O8
14
63
144.73
mp-642458
-8.059291
-5.505541
3.973829
other
Ce2In8Pd2
12
63
290.36
mp-641651
-7.385751
-2.936794
5.82335
other
U4Al18Co6
28
63
444
mp-1191890
10.10853
9.442461
3.305191
other
Gd6Nb2O14
22
63
302.86
mp-1044005
13.123783
11.61604
-0.058578
other
Ca2V8O12
22
63
241.5
mp-21352
-7.97311
-6.423785
2.558113
other
Na2In4Au2
8
63
185.6
mp-1005789
-8.073983
-3.119568
5.251239
other
Sm4Ga18Co6
28
63
453.39
mp-1206811
-8.379279
-5.137055
4.66289
other
Nd2In4Rh2
8
63
180.97
mp-1191614
-4.096995
1.556653
3.128516
other
Dy6B14W2
22
63
263.99
mp-18835
14.516519
9.041056
-5.568554
other
V4P4O16
24
63
257.9
mp-31320
4.656516
2.184283
-3.023734
other
Nd2C12N18
32
63
466.15
mp-1207965
-5.310479
-3.772762
6.124258
other
Tm6Co4Si6
16
63
280.17
mp-754959
7.675635
9.842788
-3.615367
other
Cr2Ag2O8
12
63
166.84
mp-23431
-1.346602
2.836435
-2.93088
other
Cs2Cu4I6
12
63
441.72
mp-754550
10.357876
9.419419
3.305239
other
Tb6Ta2O14
22
63
298.8
mp-15653
-5.1408
-3.632511
5.61546
other
Ce2Si4Ni2
8
63
135.13
mp-1213047
-6.555051
-2.510245
6.432646
other
Er6Al60Re12
78
63
1,267.16
mp-27186
12.107048
12.674724
-1.984994
other
Mg2V2O6
10
63
139.19
mp-1043255
6.455469
11.477204
-1.447693
other
Ca2Co4O10
16
63
231.42
mp-582826
-2.652346
0.250306
2.448989
other
Gd2Ru2C4
8
63
105.62
mp-997088
7.192919
9.539599
-1.457696
other
K2Ag2O4
8
63
149.24
mp-1105749
-5.176877
-3.850147
6.039327
original
Y6Si6Rh4
16
63
306.05
mp-5448
9.789296
9.098118
2.343684
other
Pr6Sb2O14
22
63
322.44
mp-1209665
-5.802526
-7.001153
2.286365
other
Rb6Li2Pb8
16
63
637.34
mp-977371
1.148133
3.264769
-5.001394
other
P2W8Cl22
32
63
796.46
mp-782666
8.732702
15.460113
-1.441374
other
Mn8O12F4
24
63
253.9
mp-1047397
10.857886
9.261538
0.61654
other
Ca2Sn4O8
14
63
200.98
mp-555351
9.352929
11.100068
-0.013579
other
Fe2Bi2O6
10
63
122.79
mp-30913
-7.62381
-4.644812
3.195607
other
Er2Co2Sn4
8
63
176.92
mp-1194327
-8.144469
-2.990538
5.260211
other
Tm4Ga18Co6
28
63
440.03
mp-1207626
-8.3143
-3.429372
4.900008
other
Yb4Ga18Rh6
28
63
475.81
mp-1043236
5.674075
10.92875
-1.849101
other
Mg2Fe4O10
16
63
219.52
mp-12286
10.426858
10.961185
3.438222
other
Sr4Ta4O14
22
63
309.62
mp-27549
-5.518484
-6.43116
0.802682
original
K4Ag2Bi2
8
63
287.3
mp-1104802
11.359221
12.681029
-0.081491
other
Cr4Fe2O8
14
63
141.68
mp-28232
10.623668
12.418068
2.025065
other
Mg2Ti4O10
16
63
182.09
mp-1043339
6.960704
10.985482
-1.499702
other
Ca2Ni4O10
16
63
258.94
mp-1209160
8.381223
1.068492
1.881608
other
Rb2Sc2F8
12
63
212.66
mp-1079607
-7.251566
-6.058193
3.980345
other
Li2La2Sn4
8
63
201.95
mp-27239
9.020106
1.317134
1.1071
other
Cs4V2F12
18
63
326.6
mp-1206076
-5.247482
-3.004025
6.002481
other
Pr2Mn2Si4
8
63
149.16
mp-1208480
-5.232037
-3.837316
6.053616
other
Tb6Co4Si6
16
63
295.89
mp-9687
-3.759873
-4.828883
0.583925
other
K4P2Au2
8
63
224.44
mp-1102083
8.661371
1.07663
1.760357
other
Ba2Mg2F8
12
63
170.43
mp-1207707
-7.642295
-3.148954
5.676605
other
Y4Al18Ir6
28
63
462.95
mp-1245726
0.19785
2.3963
2.017486
other
Cr2Co6N6
14
63
136.02
mp-1217093
-5.565722
-2.78252
4.068958
other
Ti4Nb2Al2
8
63
134.5
mp-11786
-4.324638
-4.20111
-3.851787
other
Yb2Pr2Se6
10
63
280.2
mp-29658
2.834563
-0.326501
-1.668469
other
Zr2Ni2H6
10
63
78.84
mp-9731
-4.55398
-2.80163
-4.363471
other
Rb2Au2Se2
6
63
197.98
mp-755587
14.276701
12.641161
-1.280934
other
V4O6F2
12
63
126.64
mp-1080067
-7.848677
-2.782468
5.259455
other
Er2Co2Ge4
8
63
140.57
mp-1206105
-1.214204
2.438804
-2.46673
other
Ca2In2I6
10
63
409.79
mp-752684
9.643241
8.414916
3.264278
other
Ba2Tm4O8
14
63
217.91
mp-27492
10.934048
12.397435
-0.321119
other
Ca2Fe10O14
26
63
292.33
mp-3463
12.733446
10.692989
1.955752
other
Ca2Ti4O8
14
63
153.41
mp-1445845
-5.663325
-3.476781
3.754638
other
Zr54B6W24
84
63
1,950.38
mp-12287
9.93669
9.477403
3.242578
other
La6Nb2O14
22
63
331
mp-1077240
-6.116694
-2.189286
1.010963
other
Na2Fe2As2
6
63
110.82
mp-1043285
9.051186
11.775577
-2.629998
other
Zn2Cr4O10
16
63
211.49
mp-1207786
-5.258863
-2.961397
5.979048
other
Y6Fe4Si6
16
63
295.63
mp-17935
-6.907543
-4.642643
5.193937
other
Nd4Zn6Ge12
22
63
440.64
mp-9605
-5.464252
-2.819841
4.873446
other
Hf6Si6Ni4
16
63
240.07
mp-1210301
-8.240479
-2.571612
5.470167
other
Pr4Ga18Ru6
28
63
483.44
mp-1191656
-4.915608
-5.336307
0.382673
other
Rb4Cd10As8
22
63
628.23
mp-20533
-7.672036
-5.529573
3.398584
other
Sr2In4Pt2
8
63
197.09
mp-1194505
-7.738182
0.041847
2.577327
other
Al2Ni18B16
36
63
310.19
mp-1211948
-8.256419
-2.639468
5.431116
other
La4Ga18Ru6
28
63
491.94
mp-505055
-8.411239
-2.841296
2.376431
other
Na6B10Pt18
34
63
483.19
mp-1209803
-7.718852
-3.269652
5.710591
other
Pr4Al18Rh6
28
63
482.32
mp-1212861
-7.674622
-3.213396
5.636428
other
Er4Al18Rh6
28
63
457.62
mp-1095063
-7.35354
-1.439104
5.590172
other
Y2Fe2Ge4
8
63
146.84
mp-3602
-7.369442
-3.596323
5.968871
other
Y2Al8Ni2
12
63
203.96
mp-28787
-8.591122
-2.114227
3.886061
other
Zn12B6Ir12
30
63
381.58
mp-1212357
-7.670037
-3.097014
5.699081
other
Ho4Al18Ir6
28
63
459.99
mp-29205
13.456267
4.718713
-1.398918
other
Y6B6O18
30
63
327.01
mp-1025458
-7.606663
-4.128233
5.828857
other
Sm2Al4Ni2
8
63
147.77
mp-1102671
-7.909729
-6.23429
3.087884
other
Eu2In8Au2
12
63
300.33
mp-25303
10.679194
8.072888
-7.173134
other
Fe2P2O8
12
63
134.84
mp-7574
-5.598881
0.097139
3.450454
other
Al2B2Mo2
6
63
69.33
mp-758456
10.441203
1.099953
1.675401
other
Li2Mn2F6
10
63
116.86
mp-974399
-7.737268
-3.25813
4.758846
other
Ho2Ni2Ge4
8
63
138.71
mp-975655
-7.645505
-3.394936
4.78126
other
Pr2Ni2Ge4
8
63
150.47
mp-755537
10.272443
9.351078
3.655451
other
Y4Hf2O10
16
63
246.46
mp-754721
9.96116
2.496002
1.539211
other
Li2V2F8
12
63
157
mp-1208091
-8.053059
-3.547819
4.846871
other
U4Ga18Rh6
28
63
478.36
mp-1043219
12.847151
10.610795
-0.539615
other
Mg2Mo4O10
16
63
241.51
mp-1176635
10.595613
1.136423
1.618709
other
Li2Mn2F6
10
63
103.99
mp-1213121
-8.297943
-3.477443
5.039288
other
Dy4Ga18Rh6
28
63
459.42
mp-1077298
-7.942534
-5.911736
5.62447
other
Tb2Mg2Ni2
6
63
126.8
mp-756886
7.351699
9.295265
0.243491
other
Eu6Nb2O14
22
63
304.97
mp-11760
-8.270587
-6.773365
4.022716
other
Er2Cd4Cu2
8
63
169.48
mp-1226129
-6.012335
-5.681264
3.621113
other
Eu2Ga4Ge8
14
63
317.47
mp-1047403
6.961793
9.559306
-1.548488
other
Ca2Ag4O8
14
63
179.1