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 101-125 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)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Mass
✕
PBC
✕
101
17285.869
TTT
102
17285.869
TTT
103
17285.869
TTT
104
17285.869
TTT
105
17285.869
TTT
106
17285.869
TTT
107
17285.869
TTT
108
17285.869
TTT
109
17285.869
TTT
110
17285.869
TTT
111
17285.869
TTT
112
17285.869
TTT
113
17285.869
TTT
114
17285.869
TTT
115
17285.869
TTT
116
17285.869
TTT
117
17285.869
TTT
118
17285.869
TTT
119
17285.869
TTT
120
17285.869
TTT
121
17285.869
TTT
122
17285.869
TTT
123
17285.869
TTT
124
17285.869
TTT
125
17285.869
TTT
«
1
2
3
4
5
6
7
8
9
...
14
15
16
17
»