Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
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
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
perms_num
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 126-150 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
126
C
60
H
18
0.000
127
C
60
H
18
0.000
128
C
60
H
18
0.000
129
C
60
H
18
0.000
130
C
60
H
18
0.000
131
C
60
H
18
0.000
132
C
60
H
18
0.000
133
C
60
H
18
0.000
134
C
60
H
18
0.000
135
C
60
H
18
0.000
136
C
60
H
18
0.000
137
C
60
H
18
0.000
138
C
60
H
18
0.000
139
C
60
H
18
0.000
140
C
60
H
18
0.000
141
C
60
H
18
0.000
142
C
60
H
18
0.000
143
C
60
H
18
0.000
144
C
60
H
18
0.000
145
C
60
H
18
0.000
146
C
60
H
18
0.000
147
C
60
H
18
0.000
148
C
60
H
18
0.000
149
C
60
H
18
0.000
150
C
60
H
18
0.000
«
1
2
3
4
5
6
7
8
9
10
...
14
15
16
17
»