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)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
perms_num
✕
Mass
✕
126
1
17285.869
127
1
17285.869
128
1
17285.869
129
1
17285.869
130
2
17285.869
131
1
17285.869
132
1
17285.869
133
1
17285.869
134
1
17285.869
135
1
17285.869
136
1
17285.869
137
1
17285.869
138
1
17285.869
139
1
17285.869
140
1
17285.869
141
1
17285.869
142
1
17285.869
143
1
17285.869
144
1
17285.869
145
2
17285.869
146
1
17285.869
147
1
17285.869
148
1
17285.869
149
1
17285.869
150
2
17285.869
«
1
2
3
4
5
6
7
8
9
10
...
14
15
16
17
»