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
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_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
Age
✕
126
C
60
H
18
-594.145
53M
127
C
60
H
18
-594.209
53M
128
C
60
H
18
-590.633
53M
129
C
60
H
18
-587.310
53M
130
C
60
H
18
-594.058
53M
131
C
60
H
18
-597.240
53M
132
C
60
H
18
-592.813
53M
133
C
60
H
18
-591.232
53M
134
C
60
H
18
-594.023
53M
135
C
60
H
18
-592.370
53M
136
C
60
H
18
-590.608
53M
137
C
60
H
18
-597.307
53M
138
C
60
H
18
-595.513
53M
139
C
60
H
18
-586.798
53M
140
C
60
H
18
-588.819
53M
141
C
60
H
18
-596.461
53M
142
C
60
H
18
-591.465
53M
143
C
60
H
18
-590.549
53M
144
C
60
H
18
-595.432
53M
145
C
60
H
18
-594.683
53M
146
C
60
H
18
-596.923
53M
147
C
60
H
18
-596.400
53M
148
C
60
H
18
-598.716
53M
149
C
60
H
18
-594.418
53M
150
C
60
H
18
-595.983
53M
«
1
2
3
4
5
6
7
8
9
10
...
14
15
16
17
»