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
perms_number
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 101-17 out of 17
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)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_number
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
101
C
60
H
36
-658.572
102
C
60
H
36
-659.930
103
C
60
H
36
-659.408
104
C
60
H
36
-664.032
105
C
60
H
36
-663.900
106
C
60
H
36
-659.740
107
C
60
H
36
-664.526
108
C
60
H
36
-663.731
109
C
60
H
36
-659.571
110
C
60
H
36
-664.176
111
C
60
H
36
-663.860
112
C
60
H
36
-664.935
113
C
60
H
36
-664.507
114
C
60
H
36
-664.792
115
C
60
H
36
-665.293
116
C
60
H
36
-664.095
117
C
60
H
36
-659.322
118
C
60
H
36
-660.832
119
C
60
H
36
-660.287
120
C
60
H
36
-656.668
121
C
60
H
36
-660.216
122
C
60
H
36
-661.874
123
C
60
H
36
-662.844
124
C
60
H
36
-660.312
125
C
60
H
36
-660.034
«
1
»