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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 1176-517 out of 517
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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)
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)
Volume of unit cell (volume)
Rows: 25
10
25
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ID
✕
Formula
✕
Username
✕
1176
Au
8
Si
4
yangxb
1177
Au
8
Si
4
yangxb
1178
Au
8
Si
4
yangxb
1179
Au
8
Si
4
yangxb
1180
Au
8
Si
4
yangxb
1181
Au
8
Si
4
yangxb
1182
Au
8
Si
4
yangxb
1183
Au
8
Si
4
yangxb
1184
Au
8
Si
4
yangxb
1185
Au
8
Si
4
yangxb
1186
Au
8
Si
4
yangxb
1187
Au
8
Si
4
yangxb
1188
Au
8
Si
4
yangxb
1189
Au
8
Si
4
yangxb
1190
Au
8
Si
4
yangxb
1191
Au
8
Si
4
yangxb
1192
Au
8
Si
4
yangxb
1193
Au
8
Si
4
yangxb
1194
Au
8
Si
4
yangxb
1195
Au
8
Si
4
yangxb
1196
Au
8
Si
4
yangxb
1197
Au
8
Si
4
yangxb
1198
Au
8
Si
4
yangxb
1199
Au
8
Si
4
yangxb
1200
Au
8
Si
4
yangxb
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