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-1044635
6.987449
9.556479
-1.567412
other
Mg6Ag12O24
42
156
550.8
mp-1215505
9.864682
8.880013
-0.042616
other
Zn1Cd1O2
4
156
58.69
mp-1041142
12.828449
12.056217
-0.293294
other
Ca6V12O24
42
156
532.65
mp-1001780
-3.456209
-2.274963
-5.896507
other
Lu1Cu1S2
4
156
77.06
mp-1027890
-5.462402
1.548816
-4.473634
other
Mo4Se2S6
12
156
312.93
mp-34425
8.253267
13.339785
-1.043032
other
Zn6Fe12O24
42
156
473.32
mp-1223982
-8.248709
-6.177007
5.232611
other
Ho2In3Cu1
6
156
144.32
mp-1215398
-7.065623
-1.162498
4.736407
other
Zr3Ti1Mn8
12
156
167.5
mp-1044645
12.713882
10.724534
1.875691
other
Ca6Ti12O24
42
156
526.98
mp-1223835
-4.162347
-1.308527
-5.863812
other
In1Ag1S2
4
156
102.26
mp-1220938
-4.109118
-0.136894
-4.063023
other
Nb6Cu4S12
22
156
403.94
mp-1028576
-9.534478
2.050266
-4.013007
other
Te8Mo1W3
12
156
439.17
mp-1025629
-9.254182
1.894876
-3.647619
other
Te6Mo2W1
9
156
348.77
mp-1027761
-6.524714
2.515431
-4.918101
other
Te2Mo4S6
12
156
346.67
mp-1224973
-8.312563
-0.354667
3.312922
other
Fe1Cu1Ni1
3
156
32.71
mp-1219720
-4.644722
-1.650432
-3.539872
other
Pt1Se1S1
3
156
63.73
mp-1041039
11.351665
12.648505
-0.000793
other
Ca6Cr12O24
42
156
519.57
mp-1215468
-4.724012
-1.164665
-5.984098
other
Zn2Co1S3
6
156
114.38
mp-1027818
-7.844036
2.210572
-4.230428
other
Te2Mo4Se6
12
156
380.52
mp-1223662
-7.489688
-1.364544
4.314173
other
Ir1Os1Ru1
3
156
42.99
mp-1041012
6.770364
13.618124
-1.700739
other
Mg6Co12O24
42
156
448.66
mp-686044
8.626216
10.769371
-0.429978
other
Bi36Rh36O123
195
156
2,501.61
mp-34728
12.281161
7.728262
-0.259948
other
Al12Cu6O24
42
156
406.15
mp-1220595
-8.186737
-6.300969
5.205101
other
Nd2In3Cu1
6
156
154.67
mp-1027645
-5.603471
1.727131
-4.593178
other
Mo3W1S8
12
156
304.78
mp-1216091
-7.972776
-5.081262
5.793539
other
Y2Ga3Ni1
6
156
119.54
mp-1216524
-7.965791
-4.93986
5.639342
other
Tm2Ga3Cu1
6
156
113.01
mp-1226203
-7.787413
-1.784215
2.464408
other
Co3Ni6Sn3
12
156
157.69
mp-1217314
-7.824271
2.185587
-4.239022
other
Te1Mo2Se3
6
156
144.71
mp-1103054
10.625132
4.446114
-7.312716
other
Cd2S2O8
12
156
181.73
mp-685809
12.105281
12.244061
1.854767
other
Li15Ti36O72
123
156
1,367.15
mp-1221577
-6.757059
-1.220748
3.424951
other
Mo4Pd2Rh4
10
156
150.28
mp-1044865
11.138139
9.581882
0.382236
other
Ca6Sb12O24
42
156
708.34
mp-1219849
-7.980811
-5.38181
5.496114
other
Pr2Ga3Cu1
6
156
132.07
mp-1044913
6.964704
9.487363
-1.551699
other
Ca6Ag12O24
42
156
618.81
mp-1227944
-5.846143
-6.663566
3.346245
other
Ba1In1Ge1
3
156
97.98
mp-1220686
-4.565649
-0.955836
-2.95533
other
Nb2Cu1Se4
7
156
150.88
mp-1225994
-6.577553
-2.177444
-0.825857
other
Co1Te1Se1
3
156
61.9
mp-1222152
-5.452854
-5.924855
0.452277
other
Mg2Zn1Sb2
5
156
123.89
mp-567713
-1.326404
1.828001
-2.640259
other
Nb3Te1I7
11
156
370.69
mp-1220756
-7.053504
0.103708
4.259515
other
Nb3Fe8Si1
12
156
154.06
mp-1028492
-7.439311
3.337948
-5.862901
other
Te2W4S6
12
156
345.28
mp-1096814
-4.304033
-1.310942
-6.055808
other
Al2Zn1S4
7
156
140.56
mp-1216671
-6.046638
-3.443349
-1.83337
other
Tm1Cu1Te2
4
156
111.12
mp-626643
10.832719
4.333396
-3.870104
other
Ca1H2O2
5
156
59.93
mp-1222669
-0.875134
2.413725
-3.148946
other
Li2I1Br1
4
156
114.3
mp-1027683
-8.929671
2.639241
-3.971684
other
Te4Mo4Se4
12
156
400.56
mp-1222174
-5.023969
-4.901102
0.174329
other
Mg4Zn2As4
10
156
199.96
mp-685339
8.403307
10.909052
-0.291843
other
Bi36Ir36O123
195
156
2,531.89
mp-1227928
-6.294644
-7.053174
2.778747
other
Ba3Sr3Pb18
24
156
801.87
mp-675180
-4.468596
-3.94902
-3.897093
other
Er1Cu1Se2
4
156
90.51
mp-1226763
-4.902271
-1.025118
-5.433098
other
Cd1Fe1S2
4
156
90.59
mp-1225189
12.549946
10.122833
0.593452
other
Fe1Mo1O1
3
156
37.24
mp-1023929
-6.48499
2.23152
-5.58569
other
W2Se2S2
6
156
208.04
mp-6980
-3.611759
-2.060223
-5.740217
other
Sc1Cu1S2
4
156
72.54
mp-1340467
11.93614
11.013972
-2.523024
other
Zn1Mo6O16
23
156
316.85
mp-1224271
-5.415772
-2.386961
-1.958053
other
Hf1Te1Se1
3
156
88.44
mp-1028456
-9.952801
2.603977
-4.509975
other
Te4W4Se4
12
156
401.16
mp-1227423
-5.334721
-1.399031
4.661613
other
Be8Nb1Cr3
12
156
114.51
mp-1225284
-7.178845
-1.355926
2.500048
other
Fe3Sn1Sb1
5
156
82.88
mp-1216133
-8.742052
-0.04551
4.511162
other
Yb4Zr1Co33
38
156
488.02
mp-1023943
-9.951147
2.59781
-4.492769
other
Te2W2Se2
6
156
250.39
mp-1219195
-8.001974
-5.352088
5.640038
other
Sm2Ga3Cu1
6
156
124.4
mp-1044625
6.956992
9.49273
-1.568859
other
Ca6Ag12O24
42
156
617.78
mp-1221787
-6.86018
-1.024466
4.411643
other
Mn8Nb3Si1
12
156
153.66
mp-753943
-4.71971
-1.033188
-5.398249
other
Li2Fe1S2
5
156
81.28
mp-1044814
9.726857
8.662946
-0.026714
other
Mg6Bi12O24
42
156
672.83
mp-1044622
12.782523
10.84043
1.765959
other
Mg6Ti12O24
42
156
467.24
mp-1027569
-5.603145
1.727081
-4.593323
other
Mo3W1S8
12
156
304.89
mp-1225348
-7.42493
-0.987308
5.598508
other
Gd1Er3Mn8
12
156
164.01
mp-1225276
6.6403
7.484145
-3.485994
other
Fe1Cl2O14
17
156
258.66
mp-30477
-6.11701
-6.851616
3.204669
other
Li3Ca3Sn3
9
156
225.7
mp-1030732
-8.9495
2.654069
-3.987663
other
Te4Mo4Se4
12
156
400.36
mp-1025876
-8.08423
2.34083
-4.278269
other
Te2Mo3Se4
9
156
314.73
mp-1096942
-4.766654
-3.058326
-3.619081
other
Cs1Bi1Se2
4
156
152.4
mp-1225521
-6.075923
-3.451647
-1.828377
other
Er1Cu1Te2
4
156
112.66
mp-1028558
-6.134367
2.255584
-5.559916
other
W4Se2S6
12
156
315.18
mp-1220724
-7.010228
-0.828256
3.836266
other
Nb3Co8Si1
12
156
149.06
mp-1226950
-5.757166
-3.055237
-2.978959
other
Cd2Te1S1
4
156
124.23
mp-1044880
11.196777
9.370227
0.24277
other
Zn6Sn12O24
42
156
605.34
mp-1223879
2.197053
2.11545
1.653305
other
In1Ga3N4
8
156
102.44
mp-1215954
-5.907601
-3.374615
4.121157
other
Zr30Al18O3
51
156
995.95
mp-1027483
-6.220476
1.760054
-4.396494
original
Mo4Se6S2
12
156
338.2
mp-2227432
-4.83808
-1.392418
-5.734618
other
Mg1Cu6S6
13
156
232.35
mp-1217319
-8.889902
2.598611
-4.978118
other
Te1W2Se3
6
156
145.82
mp-1224167
-3.995284
-1.316645
-5.869884
other
In2Ga1S4
7
156
175.65
mp-1100868
-6.05862
-3.470553
-1.799309
other
Y1Cu1Te2
4
156
113.51
mp-1225467
-7.443675
1.613596
-4.595053
other
Ga4W6Se12
22
156
544.12
mp-1220384
-8.032179
-5.440018
5.49215
other
Nd2Ga3Cu1
6
156
128.9
mp-1245639
1.805029
2.274208
0.881307
other
K1In1N1
3
156
68.76
mp-1028731
-8.887994
2.602339
-4.988736
other
Te2W4Se6
12
156
381.6
mp-1030504
-7.418783
1.634398
-4.666957
other
Mo1W3Se8
12
156
361.79
mp-1373466
11.950239
11.035901
-2.490322
other
Mg1Mo6O16
23
156
316.21
mp-1225146
-7.86135
-3.510787
2.745232
other
Fe4Sn4Pt4
12
156
222.24
mp-1028764
-6.533663
2.280893
-5.649401
other
W4Se4S4
12
156
337.87
mp-1222105
-5.421371
-5.896804
0.397905
other
Mg5Mn1Sb4
10
156
262.11
mp-1027273
-6.073929
2.26311
-5.213001
other
Mo1W3S8
12
156
306.81
mp-34144
12.524067
7.57418
0.572685
other
Mg6Al12O24
42
156
408.77
mp-1023954
-5.906301
2.020408
-4.903516
other
Mo1W1S4
6
156
189.87
mp-773073
11.158311
10.248216
2.870413
other
Ba8Ta7O24
39
156
580.73