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ASE database

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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
perms_number
smax	Maximum stress on unit cell	eV/Ang³
unique_id	Random (unique) ID
user	Username
volume	Volume of unit cell	Ang³

Displaying rows 126-150 out of 2180

Database file
JSON file
VASP file
last_column file

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)
perms_num
perms_number
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)

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ID ✕	Formula ✕
64	C₆₀H₃₆
191	C₆₀H₃₆
218	C₆₀H₃₆
122	C₆₀H₃₆
451	C₆₀H₃₆
243	C₆₀H₃₆
1	C₆₀H₃₆
6	C₆₀H₃₆
41	C₆₀H₃₆
153	C₆₀H₃₆
261	C₆₀H₃₆
390	C₆₀H₃₆
259	C₆₀H₃₆
117	C₆₀H₃₆
63	C₆₀H₃₆
51	C₆₀H₃₆
44	C₆₀H₃₆
488	C₆₀H₃₆
329	C₆₀H₃₆
71	C₆₀H₃₆
264	C₆₀H₃₆
454	C₆₀H₃₆
109	C₆₀H₃₆
409	C₆₀H₃₆
154	C₆₀H₃₆

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