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-1205387
-7.101875
-1.459758
3.307419
other
Nb4Co8Sn4
16
51
234.77
mp-561033
-4.619578
-1.731074
-5.613419
other
Cs2Cu10S6
18
51
339.06
mp-642462
5.605904
2.179778
-3.095195
other
B6C20N6
32
51
308.91
mp-997085
7.034603
9.727198
-0.218642
other
Sr2Ag2O4
8
51
121.38
mp-1077746
3.012478
-0.216386
-1.603084
other
Ti2Fe2H2
6
51
56.66
mp-996964
7.806173
9.664372
-1.341324
other
Cd2Ag2O4
8
51
108.79
mp-1079595
-8.983523
-2.218136
3.263286
other
Nd2In2Ni4
8
51
148.61
mp-1222502
1.928642
2.762703
-3.888708
other
Li2Br2O2
6
51
107.47
mp-21141
-6.962256
-0.586601
3.732693
other
Fe4Cu2Ge4
10
51
133.43
mp-21901
-7.984808
-5.46854
3.915495
other
Sr2In8Ir2
12
51
291.5
mp-1079173
-8.488094
-1.061619
4.934785
other
Ho2In2Co4
8
51
142.75
mp-686001
9.610518
8.616789
3.205689
other
Ce4Nd4O14
22
51
340.56
mp-1210950
-6.486299
-3.605817
4.37563
other
Li2Ho2W4
8
51
148.11
mp-20838
-8.100047
-5.344997
3.931012
other
Ca2In8Ir2
12
51
279.1
mp-1245806
0.99957
2.425221
1.941814
other
Mn2Ga2N4
8
51
85.63
mp-639150
-7.795919
-5.689429
3.712927
other
Ba2In8Ir2
12
51
309.81
mp-1210630
1.292343
2.309799
-3.991356
other
Nb24Tl4Cl60
88
51
2,365.47
mp-27527
-5.56751
-2.540715
-2.337968
other
Te4Au2I2
8
51
255.01
mp-1278982
5.418709
11.090055
-0.86736
other
Ca4Fe4O12
20
51
227.34
mp-1181557
9.193153
7.638198
-3.607638
other
Cu2Ge2O6
10
51
155.69
mp-1283894
7.06416
10.179125
-0.916559
other
Cs4Co4O8
16
51
310.89
mp-16053
12.211472
6.967655
-1.59271
other
Cu2Si2O6
10
51
126.02
mp-30107
1.211878
2.113127
-3.809864
other
Rb2Nb8Cl22
32
51
768.04
mp-20346
-8.433518
-1.21436
4.961575
other
Tb2In2Co4
8
51
145.49
mp-778080
8.218281
1.09183
1.740136
other
Ba2Y6F22
30
51
625.43
mp-1213329
-3.179621
-7.963445
1.368948
other
Cu4Sn4Pd8
16
51
475.21
mp-989621
0.763759
2.199683
2.018847
original
La2Os2N6
10
51
140.01
mp-674999
10.262392
9.423034
3.633992
other
La4Zr4O14
22
51
318.22
mp-2619433
7.492568
9.478436
1.022397
other
Ba4Cu4O8
16
51
263.69
mp-9008
-5.823945
-3.557155
-2.093595
other
Rb2Te2Au2
6
51
223.34
mp-570615
-0.284052
0.605303
-3.647986
other
Ba2Th2Br12
16
51
569.39
mp-1103810
-2.354416
0.508543
2.505342
other
Y6Al2C6
14
51
251.5
mp-573755
-5.80433
-3.591257
-2.085121
other
Cs2Te2Au2
6
51
248.22
mp-975726
-7.346378
-2.866213
6.059017
other
Pr2Al8Co2
12
51
212.17
mp-569471
-3.385433
1.317869
2.753826
other
U2B4C2
8
51
86.44
mp-1205296
13.156707
10.353772
2.311013
other
Ti2Br2O2
6
51
99.11
mp-676230
11.828942
9.132254
2.047406
other
U4Bi4O14
22
51
326.64
mp-12274
-7.333692
-3.003252
6.044403
other
La2Al8Co2
12
51
216.46
mp-640553
10.508904
11.527767
3.362187
other
Ba2Nb4O12
18
51
266.16
mp-1178368
12.19229
7.873726
-4.062709
other
Cu2As2O6
10
51
142.26
mp-759636
11.012427
11.947217
2.614001
other
Nb10O24F2
36
51
456.29
mp-1173546
10.756788
11.321454
2.403457
other
Nb8Pb6O26
40
51
604.55
mp-760799
9.200106
1.021532
-0.505982
other
Li2Cu6F20
28
51
364.58
mp-765172
10.037833
2.901313
1.901728
other
Fe12O8F8
28
51
354.46
mp-1214012
1.241839
2.312853
-3.982349
other
Cs4Nb24Cl60
88
51
2,430.09
mp-540724
-4.942562
-0.928919
-4.778585
other
Fe8Cu4S14
26
51
496.12
mp-30554
-8.481354
-1.561143
5.287179
other
Pr2Ga2Co4
8
51
136.96
mp-1095190
-8.485492
-1.081457
4.917724
other
Dy2In2Co4
8
51
143.55
mp-5512
12.427032
7.344367
0.872768
other
Sr8Al28O50
86
51
1,025.58
mp-1208568
6.811902
6.36345
-3.85367
other
Y8Cl4O16
28
51
1,390.4
mp-1177070
-5.257972
-3.871822
-2.780715
other
Li10Sb2S2
14
51
237.84
mp-675041
9.382934
9.67937
3.052458
other
Eu4Zr4O14
22
51
298.46
mp-1213753
11.628715
7.091122
-5.334527
other
Co2P4O8
14
51
270.79
mp-676311
10.33801
9.342748
3.730528
other
Nd4Zr4O14
22
51
310.2
mp-1101088
-8.497648
-1.241012
4.917859
other
Pr2In2Co4
8
51
151.51
mp-1077462
2.283441
2.773263
-3.716873
other
Hg2N2Cl2
6
51
140.12
mp-1018702
-6.32772
-6.331272
3.886902
other
Eu2Zn2Ge2
6
51
144.27
mp-1196939
1.812021
2.101481
1.405033
other
Li8Ca12N24
44
51
558.07
mp-1213037
-3.971259
-6.346824
0.978838
other
K4Li4As4
12
51
809.72
mp-769003
1.20582
1.9484
-5.264816
other
Ba2Y6Cl22
30
51
1,061.23
mp-1541909
-5.784738
-3.627884
-2.020981
other
Cs2Te2Au2
6
51
273.47
mp-1194475
-4.135082
-3.775083
-3.199199
other
La4U4Se18
26
51
648.79
mp-582146
1.201482
2.142513
-3.837421
other
Cs2Nb8Cl22
32
51
789.53
mp-672274
-8.066163
-5.387531
3.86452
other
Yb2In8Rh2
12
51
280.56
mp-1209984
-8.108898
-3.036136
5.559959
other
Nd6Ga24Os6
36
51
645.78
mp-31495
-5.836568
-3.21053
-2.325237
other
Ag2Te4Au2
8
51
213.73
mp-667294
-4.670288
-3.680488
0.702367
other
Ca10P12Pd12
34
51
642
mp-1079575
-8.524527
-1.140552
4.907797
other
Sm2In2Co4
8
51
146.82
mp-676227
9.913594
8.536355
3.157636
other
Nd4Th4O14
22
51
353.57
mp-1176631
10.524696
0.904945
1.626921
other
Li2Mn2F6
10
51
122.91
mp-1205358
-5.589453
-0.328011
3.586515
other
Ta6B6Ru6
18
51
215.11
mp-675300
10.428785
9.228466
3.698891
other
Ho4Zr4O14
22
51
287.4
mp-1195743
-5.467373
-0.963545
2.339221
other
V36P18C4
58
51
711.53
mp-1119334
2.404014
2.071324
-3.882103
other
W2Br4O4
10
51
267.15
mp-607369
-8.641779
-2.129367
3.969676
other
Zn10B6Ir14
30
51
396.25
mp-644303
11.76776
11.315566
-2.161631
other
U2W6O22
30
51
424.82
mp-1193065
12.00769
12.043324
0.150279
other
Ti4Fe8O16
28
51
292.05
mp-757158
10.957482
11.810986
3.059228
other
Li4Ta12O32
48
51
603.13
mp-1179440
-8.618035
-2.123467
3.927662
other
Zn10B6Ir14
30
51
390.34
mp-1238725
-8.508292
-2.071191
3.900242
other
Zn10B6Ir14
30
51
375.45
mp-1210315
1.264806
2.304483
-3.965109
other
Rb4Nb24Cl60
88
51
2,360.7
mp-734322
10.806928
11.86409
2.548121
other
Nb12O30F2
44
51
621.09
mp-726095
12.281679
6.920009
-5.050772
other
Zn2P4O8
14
51
282.53
mp-21344
11.346334
7.839005
-1.552909
other
Cu2Ge2O6
10
51
128.85
mp-674842
10.557994
9.212283
3.658952
other
Er4Zr4O14
22
51
286.25
mp-1192969
6.484228
10.685099
-0.120547
other
Sr6Cu6O18
30
51
353.54
mp-1211282
6.934114
7.240502
-2.835872
other
Rb4N2O8
14
51
3,340.15
mp-1079333
3.255987
2.391404
0.392245
other
B4C2N2
8
51
50.65
mp-29016
-0.327554
0.611907
-3.626167
other
Sr2Th2Br12
16
51
541.41
mp-676382
7.761213
8.590285
-1.096935
other
Yb4Zr4O14
22
51
287.45
mp-1201070
-0.732156
0.794865
-3.440315
other
Rb2Nb8Br22
32
51
896.32
mp-676319
10.438175
9.269299
3.730471
other
Dy4Zr4O14
22
51
289.79
mp-29015
-0.335763
0.652501
-3.705854
other
Ca2Th2Br12
16
51
532.17
mp-570619
-6.319539
-4.568086
0.793042
other
Nd4Sb4Pd4
12
51
299.6
mp-753942
-0.386746
0.757538
-3.829716
other
Ba2Y6Br22
30
51
1,259.96
mp-1105360
-5.854421
-0.327774
3.723916
other
Nb6B6Ru6
18
51
223.09
mp-1204624
13.083546
6.422338
-6.781385
other
La4P20O56
80
53
1,100.74
mp-997012
7.692122
10.867178
-0.929455
other
Cu2Pd2O4
8
53
92.71
mp-1247167
4.376695
2.275548
-3.286599
other
Ni2C16N12
30
53
471.92
mp-1245934
4.421603
2.287399
-3.266784
other
Cd2C16N12
30
53
481.86