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-557081
7.843539
11.395813
1.024081
other
Ba14Cr14O42
70
194
937.44
mp-3632
7.963514
2.059136
2.662708
other
Y4S4F4
12
194
235.37
mp-1216009
-7.7139
-4.687213
5.602989
other
Y2Lu2Ga12
16
194
308.75
mp-1025427
-4.429696
-0.502676
3.104448
other
Ta4Ga2C2
8
194
113.71
mp-1238800
-3.03765
0.914939
2.723738
other
Ca2B2C2
6
194
62.55
mp-22950
1.473546
2.78945
-5.755284
original
Cs2Ni2Cl6
10
194
267.33
mp-1217114
-5.273681
-2.116473
2.235813
other
Ti4As2P2
8
194
132.59
mp-1188322
-6.44032
-3.384037
0.939283
other
V4Cu6Sb8
18
194
338.13
mp-28352
-7.166865
-2.529169
5.114832
other
Y6Si6Rh12
24
194
397.23
mp-1226205
-5.495054
-0.164062
3.305572
other
Co6W18C8
32
194
411.55
mp-16321
-3.527771
-4.337766
0.832527
other
Sr2Cu2P2
6
194
124.15
mp-12557
-5.053849
-4.919664
0.648048
other
Sr2Cu2As2
6
194
134.26
mp-8121
-5.205937
-4.105955
5.68215
other
Sm2Cu2Si2
6
194
117.44
mp-570156
-2.174399
0.057943
2.441362
other
Zr6Al6C10
22
194
279.02
mp-1200180
-8.596249
0.29897
4.574124
other
Pr8Co20B8
36
194
476.56
mp-1080074
-7.77715
-4.61662
3.903339
other
U2Cu4Sn2
8
194
151.99
mp-1019255
-7.650934
-7.414093
5.327577
other
Sm2Tl2Cd2
6
194
157.17
mp-1208952
0.89021
1.633558
2.69388
other
Sc2Ta2N4
8
194
86.32
mp-643061
3.104227
-0.723037
-2.039486
other
Mg6Re2H14
22
194
212.58
mp-1189454
-6.046993
-7.182291
5.690478
other
Mg4Al8Zn6
18
194
319.51
mp-1207954
-7.062153
-1.568861
5.202444
other
U4Mn6Si2
12
194
187.6
mp-28724
-0.495946
1.009699
-2.391129
other
Gd4C2I2
8
194
188.53
mp-1196849
-5.638031
-0.143295
3.375344
other
Fe6W20C6
32
194
437.12
mp-1194204
-6.409392
-2.806145
4.421089
other
Hf18Fe2Re8
28
194
530.74
mp-554293
8.533528
13.20833
-1.148775
other
Ba2Fe24O38
64
194
736.62
mp-973634
-1.936922
0.452687
2.404135
other
Ho2Al6C6
14
194
173.12
mp-1206561
-0.230937
0.805634
-3.890161
other
Rb2Sc2Br6
10
194
319.45
mp-9244
-3.254167
1.307405
2.810508
other
Li2B2C2
6
194
45.27
mp-1212403
-7.576896
1.047692
4.705812
other
Ho4Fe34N6
44
194
541.71
mp-1207152
-7.353089
-1.547584
2.581181
other
Fe2Ni2Sn2
6
194
86.97
mp-22941
-5.775454
-6.024707
0.754645
other
Ca2Cu2Bi2
6
194
152.9
mp-1207771
-7.756896
0.72827
4.757387
other
Y4Fe34H6
44
194
521.56
mp-1087488
-5.21651
1.318157
-4.475965
other
In2Mo2S4
8
194
164.08
mp-21090
-7.427797
-1.328027
2.845597
other
Mn2Ni2Ge2
6
194
76.06
mp-30176
-7.73749
-1.435059
4.866812
other
U4Al2Co6
12
194
175.37
mp-1102807
-5.338976
-1.819448
0.81442
other
Pr4Ni4P4
12
194
223.38
mp-1214452
15.309934
5.774218
0.006532
other
Ca2Si36O76
114
194
2,281.58
mp-1025517
0.850453
1.227937
2.693871
other
Ti4In2N2
8
194
114.8
mp-1217151
-6.264113
-1.246446
4.319003
other
Ti4Cr6Si2
12
194
160.56
mp-1072011
-7.736745
-6.612617
3.904114
other
Ho2Cu2Pb2
6
194
136.11
mp-31079
-7.509697
-2.272837
6.049607
other
Ce6Al24Ru8
38
194
647.62
mp-981699
-8.155996
-6.433793
5.519282
other
Sm2Zn2In2
6
194
142.04
mp-1178574
8.661754
11.836733
-1.356185
other
Al2Pd2O6
10
194
106.53
mp-510311
-5.945863
-6.973372
3.044277
other
Ba2Zn2Pb2
6
194
204.12
mp-1212366
-3.327955
-3.894947
0.751271
other
Ho2Zn6P6
14
194
268.57
mp-20085
-6.385383
-3.844037
5.100838
other
La2Ti2Ge6
10
194
204.02
mp-12520
-8.214402
-2.992333
3.918942
other
Sr2Ni4Ge2
8
194
152.34
mp-1193575
-4.533915
-0.937046
-2.94725
other
Mn2Nb8Se16
26
194
558.8
mp-7938
-3.796766
-0.530213
-4.151498
other
K2Nb2S4
8
194
162.74
mp-1245605
5.051613
2.181345
-2.50817
other
Sn2C2N4
8
194
135.66
mp-23319
1.436251
2.462669
-5.280637
other
Rb2V2Cl6
10
194
263.03
mp-23015
-0.883677
1.348576
-4.479068
other
Cs6Mo4Br18
28
194
972.87
mp-1247277
0.256803
2.578386
1.930017
other
Mn6Fe2N6
14
194
149.75
mp-720995
4.454903
1.9797
-2.631057
other
Sr8C8N12
28
194
623.43
mp-28553
0.933003
2.03203
-1.045172
other
Ca4I2N2
8
194
183.04
mp-12571
-4.936039
-3.013501
5.027389
other
Hf2Be2Si2
6
194
83.94
mp-5244
-5.22815
-2.181896
2.266946
other
Ti4Sb2P2
8
194
144.23
mp-1077244
-8.02636
-6.169431
5.616028
other
Gd2Zn2Ga2
6
194
122.95
mp-1072824
-8.012963
-5.381892
3.414379
other
Dy2Cu2Sn2
6
194
130.47
mp-22977
1.531127
2.614909
-5.463232
other
Cs2V2Cl6
10
194
281.02
mp-6995
12.430143
7.570812
0.526329
other
Sr2Al24O38
64
194
607.55
mp-1210755
-3.9626
-5.327478
5.67189
other
Li4Al2Si2
8
194
131.52
mp-11700
-5.127046
-5.730843
0.735598
other
Ba2Cu2Sb2
6
194
176.48
mp-1206281
-8.138749
-6.08975
3.119259
other
Li2Al2Au2
6
194
91.53
mp-1208110
-8.389991
-1.951783
2.970201
other
Tm6Ni22Ge8
36
194
505.26
mp-30492
-6.084115
-7.035716
2.52335
other
Na4Cd2Sn2
8
194
216.15
mp-1207369
-8.147826
-4.497356
3.246421
other
Li2Ga2Pt2
6
194
82.92
mp-7936
-3.91091
-0.183741
-4.080504
other
Li2Nb2S4
8
194
127.42
mp-1077175
-7.699289
-6.641482
3.930264
other
Dy2Cu2Pb2
6
194
136.4
mp-30251
9.900382
9.027076
2.695495
other
Y2Au2O4
8
194
132.06
mp-1104050
-1.968329
0.45311
2.437835
other
Y2Al6C6
14
194
174.63
mp-1079999
-5.231973
-2.534913
2.125591
other
Zr4Ni2P4
10
194
160.32
mp-608777
-4.916839
-5.150631
0.276037
other
Eu2In4As4
10
194
278.85
mp-1245739
0.076552
2.241399
2.309942
other
V2Co2N4
8
194
66.86
mp-3469
-6.384406
-2.514198
1.292551
other
Zr2Ni4Sb2
8
194
126.38
mp-1207726
-4.914803
-4.171686
5.912035
other
Y8Si12Pd4
24
194
464.08
mp-768358
10.353745
8.78506
2.407799
other
Sc2In2O6
10
194
132.66
mp-13277
-3.424997
-4.717844
1.015097
other
Ba2Li2P2
6
194
155.11
mp-1246480
1.142946
2.39248
2.114046
other
Co2Ge2N4
8
194
75.93
mp-567767
5.031741
2.20563
-3.220262
other
Co2C2N4
8
194
80.12
mp-1245882
5.108227
2.307198
-2.755702
other
Ge2C2N4
8
194
111.86
mp-7436
-5.966511
-3.372611
-2.160353
other
K2Cu2Te2
6
194
171.67
mp-1392353
10.462193
9.240114
0.16791
other
Al2Bi2O6
10
194
147.97
mp-1226015
-7.559207
-1.269099
2.793328
other
Co2Ni2Ge2
6
194
70.22
mp-1102069
-5.227111
-1.839824
0.851748
other
La4Ni4P4
12
194
229.45
mp-1200452
-8.524348
-0.272756
4.526002
other
Y4Al4Co30
38
194
497.75
mp-1209978
-4.779974
-0.954189
-2.973013
other
Nb8V2Se16
26
194
543.68
mp-1195573
-7.369363
-2.246688
6.088324
other
Tb6Al24Ru8
38
194
634.48
mp-8125
-5.248657
-4.084597
5.561546
other
Lu2Cu2Si2
6
194
103.99
mp-758689
10.036359
0.650357
1.243637
other
Li6Cu2F8
16
194
146.93
mp-1195540
-7.376738
-2.235975
6.069529
other
Dy6Al24Ru8
38
194
631.19
mp-3479
-6.624931
-3.840464
5.980546
other
Ca2Al18Ni2
22
194
386.01
mp-1207754
-7.591563
1.064901
4.739609
other
Y4Fe34N6
44
194
543.07
mp-8098
11.328003
8.311081
-0.416504
other
In2Ga2O6
10
194
115.85
mp-7977
9.565001
8.159909
1.98841
other
Cs2Sm2O4
8
194
156.59
mp-9899
-3.3919
-4.532935
0.916471
other
Ba2Ag2P2
6
194
158.53
mp-1246811
2.379264
2.387561
1.201487
other
In2B2N4
8
194
102.46
mp-30611
-8.247397
-4.049793
2.95515
other
Er2Sn2Pt4
8
194
158.75
mp-541044
9.603664
8.189342
1.82603
other
Cs2Y2O4
8
194
147.87
mp-1193800
-6.263358
-2.878551
4.275655
other
Hf18Re8Se2
28
194
559.5