Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
C_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
gap
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
mean_energy
natoms
Number of atoms
pbc
Periodic boundary conditions
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 1-17 out of 17
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
C_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
gap
Magnetic moment (magmom)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 200
10
25
50
100
200
↓
ID
✕
Formula
✕
Mass
✕
1
BC
14
N
192.971
2
BC
14
N
192.971
3
BC
14
N
192.971
4
BC
14
N
192.971
5
B
2
C
12
N
2
193.766
6
B
2
C
12
N
2
193.766
7
B
2
C
12
N
2
193.766
8
B
2
C
12
N
2
193.766
9
B
2
C
12
N
2
193.766
10
B
2
C
12
N
2
193.766
11
B
2
C
12
N
2
193.766
12
B
2
C
12
N
2
193.766
13
B
2
C
12
N
2
193.766
14
B
2
C
12
N
2
193.766
15
B
2
C
12
N
2
193.766
16
B
2
C
12
N
2
193.766
17
B
2
C
12
N
2
193.766
18
B
2
C
12
N
2
193.766
19
B
2
C
12
N
2
193.766
20
B
2
C
12
N
2
193.766
21
B
2
C
12
N
2
193.766
22
B
2
C
12
N
2
193.766
23
B
3
C
10
N
3
194.561
24
B
3
C
10
N
3
194.561
25
B
3
C
10
N
3
194.561
26
B
3
C
10
N
3
194.561
27
B
3
C
10
N
3
194.561
28
B
3
C
10
N
3
194.561
29
B
3
C
10
N
3
194.561
30
B
3
C
10
N
3
194.561
31
B
3
C
10
N
3
194.561
32
B
3
C
10
N
3
194.561
33
B
3
C
10
N
3
194.561
34
B
3
C
10
N
3
194.561
35
B
3
C
10
N
3
194.561
36
B
3
C
10
N
3
194.561
37
B
3
C
10
N
3
194.561
38
B
3
C
10
N
3
194.561
39
B
3
C
10
N
3
194.561
40
B
3
C
10
N
3
194.561
41
B
3
C
10
N
3
194.561
42
B
3
C
10
N
3
194.561
43
B
3
C
10
N
3
194.561
44
B
3
C
10
N
3
194.561
45
B
3
C
10
N
3
194.561
46
B
3
C
10
N
3
194.561
47
B
3
C
10
N
3
194.561
48
B
3
C
10
N
3
194.561
49
B
3
C
10
N
3
194.561
50
B
3
C
10
N
3
194.561
51
B
3
C
10
N
3
194.561
52
B
3
C
10
N
3
194.561
53
B
3
C
10
N
3
194.561
54
B
3
C
10
N
3
194.561
55
B
4
C
8
N
4
195.356
56
B
4
C
8
N
4
195.356
57
B
4
C
8
N
4
195.356
58
B
4
C
8
N
4
195.356
59
B
4
C
8
N
4
195.356
60
B
4
C
8
N
4
195.356
61
B
4
C
8
N
4
195.356
62
B
4
C
8
N
4
195.356
63
B
4
C
8
N
4
195.356
64
B
4
C
8
N
4
195.356
65
B
4
C
8
N
4
195.356
66
B
4
C
8
N
4
195.356
67
B
4
C
8
N
4
195.356
68
B
4
C
8
N
4
195.356
69
B
4
C
8
N
4
195.356
70
B
4
C
8
N
4
195.356
71
B
4
C
8
N
4
195.356
72
B
4
C
8
N
4
195.356
73
B
4
C
8
N
4
195.356
74
B
4
C
8
N
4
195.356
75
B
4
C
8
N
4
195.356
76
B
4
C
8
N
4
195.356
77
B
4
C
8
N
4
195.356
78
B
4
C
8
N
4
195.356
79
B
4
C
8
N
4
195.356
80
B
4
C
8
N
4
195.356
81
B
4
C
8
N
4
195.356
82
B
4
C
8
N
4
195.356
83
B
4
C
8
N
4
195.356
84
B
4
C
8
N
4
195.356
85
B
4
C
8
N
4
195.356
86
B
4
C
8
N
4
195.356
87
B
4
C
8
N
4
195.356
88
B
4
C
8
N
4
195.356
89
B
4
C
8
N
4
195.356
90
B
4
C
8
N
4
195.356
91
B
4
C
8
N
4
195.356
92
B
4
C
8
N
4
195.356
93
B
4
C
8
N
4
195.356
94
B
4
C
8
N
4
195.356
95
B
4
C
8
N
4
195.356
96
B
5
C
6
N
5
196.151
97
B
5
C
6
N
5
196.151
98
B
5
C
6
N
5
196.151
99
B
5
C
6
N
5
196.151
100
B
5
C
6
N
5
196.151
101
B
5
C
6
N
5
196.151
102
B
5
C
6
N
5
196.151
103
B
5
C
6
N
5
196.151
104
B
5
C
6
N
5
196.151
105
B
5
C
6
N
5
196.151
106
B
5
C
6
N
5
196.151
107
B
5
C
6
N
5
196.151
108
B
5
C
6
N
5
196.151
109
B
5
C
6
N
5
196.151
110
B
5
C
6
N
5
196.151
111
B
5
C
6
N
5
196.151
112
B
5
C
6
N
5
196.151
113
B
5
C
6
N
5
196.151
114
B
5
C
6
N
5
196.151
115
B
6
C
4
N
6
196.946
116
B
6
C
4
N
6
196.946
117
B
6
C
4
N
6
196.946
118
B
6
C
4
N
6
196.946
119
B
6
C
4
N
6
196.946
120
B
6
C
4
N
6
196.946
121
B
6
C
4
N
6
196.946
122
B
6
C
4
N
6
196.946
123
B
6
C
4
N
6
196.946
124
B
7
C
2
N
7
197.741
125
B
7
C
2
N
7
197.741
126
B
8
N
8
198.536
127
C
16
192.176
«
1
»