ASE database - Search

↓ ID ✕	Formula ✕	Calculator ✕	PBC ✕	Username ✕	ads_E ✕	Number of atoms ✕	ads_site ✕
151	Au₄₅N	vasp	TTT	hecc	-2.609	46	3h
152	Au₄₅O	vasp	TTT	hecc	-3.562	46	3h
153	Au₄₅F	vasp	TTT	hecc	-3.217	46	3h
154	Au₄₅Ne	vasp	TTT	hecc	-0.050	46	3h
155	Au₄₅Na	vasp	TTT	hecc	-2.235	46	3h
156	Au₄₅Mg	vasp	TTT	hecc	-1.890	46	3h
157	AlAu₄₅	vasp	TTT	hecc	-3.357	46	3h
158	Au₄₅Si	vasp	TTT	hecc	-4.255	46	3h
159	Au₄₅P	vasp	TTT	hecc	-3.562	46	3h
160	Au₄₅S	vasp	TTT	hecc	-3.749	46	3h
161	Au₄₅Cl	vasp	TTT	hecc	-2.537	46	3h
162	Au₄₅Ar	vasp	TTT	hecc	-0.038	46	3h
163	Au₄₅H	vasp	TTT	hecc	-2.094	46	1b
164	Au₄₅He	vasp	TTT	hecc	-0.047	46	1b
165	Au₄₅Li	vasp	TTT	hecc	-2.617	46	1b
166	Au₄₅Be	vasp	TTT	hecc	-2.943	46	1b
167	Au₄₅B	vasp	TTT	hecc	-4.787	46	1b
168	Au₄₅C	vasp	TTT	hecc	-4.690	46	1b
169	Au₄₅N	vasp	TTT	hecc	-2.611	46	1b
170	Au₄₅O	vasp	TTT	hecc	-3.564	46	1b
171	Au₄₅F	vasp	TTT	hecc	-3.215	46	1b
172	Au₄₅Ne	vasp	TTT	hecc	-0.050	46	1b
173	Au₄₅Na	vasp	TTT	hecc	-2.213	46	1b
174	Au₄₅Mg	vasp	TTT	hecc	-1.844	46	1b
175	AlAu₄₅	vasp	TTT	hecc	-3.355	46	1b

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/Ang³
str_E
unique_id	Random (unique) ID
user	Username
volume	Volume of unit cell	Ang³