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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 151-175 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
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ID
✕
Energy
✕
Maximum stress
✕
151
-144.417
0.012
152
-143.780
0.011
153
-142.326
0.012
154
-138.747
0.015
155
-141.145
0.015
156
-140.578
0.014
157
-142.336
0.013
158
-143.770
0.013
159
-144.134
0.012
160
-143.378
0.011
161
-141.464
0.012
162
-138.748
0.015
163
-141.898
0.014
164
-138.730
0.015
165
-141.601
0.015
166
-141.667
0.014
167
-143.820
0.011
168
-144.625
0.012
169
-144.416
0.012
170
-143.778
0.011
171
-142.323
0.012
172
-138.747
0.015
173
-141.123
0.015
174
-140.532
0.014
175
-142.335
0.013
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