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 76-100 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)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
Maximum stress
✕
76
C
60
H
24
-619.865
0.000
77
C
60
H
24
-617.176
0.000
78
C
60
H
24
-619.735
0.001
79
C
60
H
24
-621.057
0.000
80
C
60
H
24
-617.047
0.000
81
C
60
H
24
-621.191
0.000
82
C
60
H
24
-620.472
0.000
83
C
60
H
24
-619.942
0.001
84
C
60
H
24
-617.090
0.002
85
C
60
H
24
-617.042
0.000
86
C
60
H
24
-616.436
0.000
87
C
60
H
24
-619.617
0.001
88
C
60
H
24
-618.900
0.000
89
C
60
H
24
-616.375
0.000
90
C
60
H
24
-620.138
0.001
91
C
60
H
24
-619.719
0.000
92
C
60
H
24
-621.695
0.000
93
C
60
H
24
-623.135
0.004
94
C
60
H
24
-622.492
0.001
95
C
60
H
24
-620.151
0.000
96
C
60
H
24
-619.774
0.001
97
C
60
H
24
-619.617
0.001
98
C
60
H
24
-617.687
0.000
99
C
60
H
24
-621.312
0.000
100
C
60
H
24
-620.403
0.000
«
1
2
3
4
5
6
7
8
...
14
15
16
17
»