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-647729
-5.168379
-2.64856
2.684038
other
Zr56P36
92
58
1,731.36
mp-1078253
-4.122326
1.524858
2.856621
other
Mn2B8
10
58
71.93
mp-267
-6.078761
-2.307616
-0.506099
other
Te4Ru2
6
58
138.69
mp-19895
-6.399122
-3.283745
0.837034
other
Ni2Sb4
6
58
126.63
mp-540671
1.323477
2.003349
-4.196282
other
Ti14Cl32
46
58
997.97
mp-1413
-5.363156
-1.785123
1.21803
other
P4Ru2
6
58
87.36
mp-1285
7.983307
10.874206
-0.705291
other
Pt2O4
6
58
64.74
mp-28793
-0.488357
1.015077
0.237943
other
Mg4C6
10
58
127.68
mp-754064
-5.003831
-1.841862
1.166165
other
Mn2P4
6
58
80.65
mp-9835
-6.406749
-3.198626
0.730202
other
Co2Sb4
6
58
120.46
mp-569008
1.833099
2.843512
-4.863983
other
Pd2Cl4
6
58
147.84
mp-1199529
-5.503252
-3.02832
3.264384
other
Hf24As12
36
58
714.14
mp-755060
8.329836
8.618624
0.019352
other
Cs4O2
6
58
197.07
mp-766
-6.076202
-2.59151
0.710649
other
As4Ru2
6
58
101.24
mp-1080200
0.708775
2.275694
2.220899
other
Cr2N4
6
58
52.25
mp-1181008
6.933555
8.701297
-2.391063
other
In2O4
6
58
77.94
mp-30550
-8.464479
-5.839676
2.454172
other
Al10Au20
30
58
492.35
mp-1203256
-5.466941
-2.857481
2.662019
other
Zr56As36
92
58
1,872.76
mp-1018648
4.290461
3.348794
-3.799134
other
Au2N4
6
58
91.86
mp-604647
-5.612724
-2.68206
1.709181
other
Ti8As16
24
58
413.44
mp-754317
7.090765
8.344889
-1.233531
other
Nd2O4
6
58
108.91
mp-20928
-6.473806
-3.400918
0.654838
other
Sb4Ru2
6
58
129.05
mp-650285
-5.36477
-2.002784
4.844019
other
Mn28Si46
74
58
950.1
mp-33065
-5.123199
-0.128852
3.188794
other
W4C2
6
58
76.15
mp-21264
0.705139
2.147909
2.085082
other
Os2N4
6
58
55.47
mp-979
-5.870836
-3.654679
1.826471
other
Zr8Sb16
24
58
595.17
mp-33009
8.196577
14.330176
-1.692559
other
Mn2O4
6
58
55.32
mp-2000
-5.029607
-2.531346
-3.817503
other
Cu2Se4
6
58
117.14
mp-570130
3.345687
-0.723878
-2.326826
other
Al6H18
24
58
226.95
mp-998915
8.599236
8.3647
0.176826
other
K4O2
6
58
159.39
mp-1247899
12.697986
7.126595
0.859739
other
Al4O6
10
58
137.66
mp-600026
15.47643
5.715734
0.317474
other
Si12O24
36
58
578.75
mp-29687
5.720354
2.218015
-2.891482
other
K2C120
122
58
1,329.29
mp-755072
9.204171
9.15862
0.077169
other
Na4O2
6
58
97.35
mp-607371
0.731064
2.222357
1.920664
other
Ru2N4
6
58
55.11
mp-1018804
-5.455887
-0.620154
-4.463963
other
Mn2S4
6
58
84.7
mp-13076
0.690259
2.241809
1.852042
other
Ir2N4
6
58
56.14
mp-849059
-5.314137
-1.016842
-4.101389
other
Ni2S4
6
58
93.76
mp-19932
-4.69084
-2.801281
-4.066288
other
In16Se12
28
58
800.33
mp-1097039
0.684298
3.079763
1.551718
other
Cr36N72
108
58
2,520
mp-556324
9.378439
0.886396
-0.294953
other
Ni2F4
6
58
66.03
mp-20714
-6.411312
-3.189463
0.688936
other
Fe2Sb4
6
58
125.16
mp-1071078
-5.584922
-1.57592
-3.167736
other
Ni2Se4
6
58
106.93
mp-582968
1.127848
2.294184
-5.099366
other
Bi48Cl56
104
58
3,204.99
mp-540672
-0.412274
0.689126
-3.556822
other
Ti14Br32
46
58
1,190.66
mp-617281
-6.079437
-3.500183
-2.163479
other
In16Te12
28
58
928.96
mp-1079437
-4.236799
1.622275
3.002727
other
Fe2B8
10
58
70.96
mp-570155
0.764289
2.190572
1.866649
other
Pt2N4
6
58
58.74
mp-21395
9.370109
13.450239
-1.984289
other
Cr2O4
6
58
60.16
mp-684668
-0.476385
0.3938
0.293943
other
Ca2C4
6
58
101.42
mp-2455
-5.977589
-2.63311
0.636169
other
As4Os2
6
58
102.41
mp-1072956
8.857699
0.827866
1.54116
other
Mg2F4
6
58
68
mp-849086
-4.441059
-1.204575
-5.292404
other
Cu2S4
6
58
97.9
mp-22882
-0.514042
0.931229
-4.142164
other
Yb2Br4
6
58
201.55
mp-2695
-6.531244
-3.528189
0.709021
original
Sb4Os2
6
58
130.08
mp-19880
-6.333862
-2.259815
-0.660073
other
Fe2Te4
6
58
126.84
mp-1201934
8.820147
9.950931
-3.432367
other
W8O32
40
58
652.66
mp-2180
-5.838574
-3.633243
1.8228
other
Hf8Sb16
24
58
581.76
mp-1188665
6.969187
8.777367
-2.210672
other
Tl6O12
18
58
295.35
mp-754874
7.666006
10.079593
-3.890881
other
Cr6O16
22
58
299.28
mp-985590
15.548706
5.689197
0.382411
other
Si8O16
24
58
376.13
mp-20862
-5.431851
-1.377658
-2.990254
other
Co2Se4
6
58
104.37
mp-1543
-7.689243
-3.707612
3.180312
other
Ge4Pt2
6
58
106.76
mp-550172
9.662622
10.007545
-0.039977
other
Sn2O4
6
58
75.52
mp-9945
-6.206625
-2.256305
-0.874207
other
Co2Te4
6
58
133.88
mp-1080328
-4.276341
-4.413723
-3.419578
other
Ce2Se4
6
58
189.08
mp-23214
1.180343
1.97002
-5.323081
other
Ca2Cl4
6
58
170.52
mp-567484
1.7424
2.670589
-4.694775
other
Pt2Cl4
6
58
144.71
mp-627397
-5.000653
-3.142576
-3.549441
other
In16Se8
24
58
720.58
mp-1101405
8.230502
8.476242
-0.162706
other
Rb4O2
6
58
186.95
mp-19795
-4.036126
-1.40813
-5.763648
other
In4S4
8
58
198.28
mp-27709
-0.795928
1.164044
-4.036271
other
Bi48Br56
104
58
3,602.49
mp-22631
-0.131117
2.335293
2.043044
other
Co4N2
6
58
53.65
mp-20027
-5.219785
-1.401417
1.490304
other
Fe2P4
6
58
75.15
mp-558025
15.559037
5.675447
0.326248
other
Si36O72
108
58
1,971.82
mp-22888
-0.226138
0.976297
-4.031985
other
Ca2Br4
6
58
200.63
mp-1871
-6.946776
0.633165
3.469938
other
Fe4C2
6
58
56.98
mp-2008
-6.294364
-1.972728
1.091288
other
Fe2As4
6
58
89.86
mp-1522
-5.46923
-0.539942
-3.88056
other
Fe2S4
6
58
80.67
mp-1206234
7.314851
8.461894
-1.897097
other
Sc2O4
6
58
72.28
mp-684583
6.708582
6.111059
-3.790516
other
Cs2O4
6
58
162.25
mp-19814
-6.252348
-2.284315
0.863208
other
Ni2As4
6
58
97.45
mp-7424
-8.404389
-4.437658
2.066756
other
B2Pd4
6
58
76.42
mp-620032
-4.734938
-2.305506
2.301583
other
Ti24Se12
36
58
585.76
mp-22477
-5.433449
-1.914885
3.025204
other
Ta24P12
36
58
570.09
mp-21859
-5.210402
-4.17568
0.375369
other
Cu2As4
6
58
109.45
mp-547074
11.572895
13.61897
-2.629076
other
V2O4
6
58
61.62
mp-22488
-7.309729
0.238115
3.281603
other
Co4C2
6
58
54.92
mp-715550
12.833704
11.141255
-1.056285
other
Mo4O8
12
58
146.55
mp-1197374
-4.764325
-2.94712
2.594661
other
Zr24S12
36
58
672.35
mp-616559
-4.664819
-2.248305
1.515904
other
Ti24S12
36
58
527.41
mp-672228
-5.654439
-2.914021
1.519969
other
Ti8As16
24
58
465.63
mp-510087
0.79942
2.439581
1.338039
other
Pd4N2
6
58
78.32
mp-22642
-4.602402
-2.907446
2.808116
other
Zr24Se12
36
58
730.14
mp-29642
-6.236346
-5.1304
1.258497
other
Zr8Bi16
24
58
655.41
mp-22857
1.652525
2.557154
-5.112103
other
Cr2Cl4
6
58
149.06
mp-22498
-6.034903
-3.966394
0.735303
other
Cr2Sb4
6
58
143.67
mp-30751
-7.162615
-2.551427
5.941724
other
Al78Co24
102
58
1,467.65
mp-20304
0.741184
2.383484
1.778687
other
Rh2N4
6
58
56.98
mp-760
-5.684359
-1.487159
-2.99603
original
Fe2Se4
6
58
98.52