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ASE database
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Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
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
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 126-150 out of 594
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Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
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)
plane_index
slab_E
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Energy
✕
Maximum stress
✕
126
-218.555
0.013
127
-141.912
0.014
128
-138.731
0.015
129
-141.636
0.015
130
-141.723
0.013
131
-143.780
0.011
132
-144.527
0.011
133
-144.187
0.012
134
-143.540
0.012
135
-142.249
0.013
136
-138.747
0.015
137
-141.146
0.015
138
-140.579
0.013
139
-142.301
0.013
140
-143.667
0.013
141
-143.967
0.012
142
-143.196
0.012
143
-141.422
0.013
144
-138.753
0.015
145
-141.936
0.014
146
-138.730
0.015
147
-141.640
0.015
148
-141.741
0.013
149
-143.821
0.011
150
-144.626
0.011
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