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)
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
✕
Charge
✕
126
1
17285.869
0.000
127
1
17285.869
0.000
128
1
17285.869
0.000
129
1
17285.869
0.000
130
2
17285.869
0.000
131
1
17285.869
0.000
132
1
17285.869
0.000
133
1
17285.869
0.000
134
1
17285.869
0.000
135
1
17285.869
0.000
136
1
17285.869
0.000
137
1
17285.869
0.000
138
1
17285.869
0.000
139
1
17285.869
0.000
140
1
17285.869
0.000
141
1
17285.869
0.000
142
1
17285.869
0.000
143
1
17285.869
0.000
144
1
17285.869
0.000
145
2
17285.869
0.000
146
1
17285.869
0.000
147
1
17285.869
0.000
148
1
17285.869
0.000
149
1
17285.869
0.000
150
2
17285.869
0.000
«
1
2
3
4
5
6
7
8
9
10
...
14
15
16
17
»