Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Au_rate
E
Si_rate
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
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 76-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
E
Si_rate
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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Username
✕
Volume
✕
76
yangxb
1722.021
77
yangxb
1722.604
78
yangxb
1721.777
79
yangxb
1721.742
80
yangxb
1721.845
81
yangxb
1721.747
82
yangxb
1721.884
83
yangxb
1721.746
84
yangxb
1722.084
85
yangxb
1722.501
86
yangxb
1721.378
87
yangxb
1721.753
88
yangxb
1722.208
89
yangxb
3442.401
90
yangxb
1897.249
91
yangxb
1897.081
92
yangxb
1897.221
93
yangxb
1897.289
94
yangxb
1897.381
95
yangxb
1897.418
96
yangxb
1897.258
97
yangxb
1897.158
98
yangxb
1897.320
99
yangxb
1897.134
100
yangxb
1897.424
«
1
»