The Diatomic Molecular Spectroscopy Database

APIs Explorer

» List of molecules in the database

/api/?query=list_molecules

View the list of all the molecules in the database.

Return

A json object containing a list of molecules in the database.


{
"accessed": STRING. Time of access, with the ISO 8601 format,
"n_records": INTEGER. Number of records (molecules).
"data":
[
{
"id_molecule": INTEGER. A unique ID of the molecule,
"chemical_formula": STRING. The chemical formula of the molecule.
},
...
]
}


Example (/api/?query=list_molecules):

					
{
"accessed":"2019-10-23 10:19:51",
"n_records":179,
"data":
[
{
"id_molecule":1,
"chemical_formula":"AgAl"
},
{
"id_molecule":2,
"chemical_formula":"AgBi"
},
...
]
}



» Query for a spectroscopy constant

/api/?query=name_of_spectroscopy_constant

Example:

/api/?query=Te

Get a spectroscopy constant of the ground and excited states of all the molecules having the information of this constant in the database.

Supported spectroscopy constants:

$T_e$: Te

$\omega_e$: omega_e

$\omega_e x_e$: omega_ex_e

$B_e$: Be

$\alpha_e$: alpha_e

$D_e$: De

$R_e$: Re

$D_0$: D0

IP: IP

Return

A json object containing the queried spectroscopy constant of the ground and excited states of all the molecules in the database. The information about the molecules (chemical formula), their states (in Latex) and masses (in the a.u. unit) are also given.


{
"accessed": STRING. Time of access, with the ISO 8601 format,
"n_records": INTEGER. Number of records (molecules).
"data":
[
{
"reference": STRING. The reference where the spectroscopy
constant was given, with the APS format.
"reference_date": STRING. Date of the reference where the
spectroscopy constant was given, with the format of "Month Year".
"id_record": INTEGER. A unique ID of the record.
"id_molecule": INTEGER. A unique ID of the molecule,
"chemical_formula": STRING. The chemical formula of the molecule.
"state": STRING. The state symbol, in the Latex format.
"mass": FLOAT. Mass of the molecule in the corresponding state, in the a.u. unit.
"name_of_spectroscopy_constant": FLOAT. The value of the queried
spectroscopy constant.
},
...
]
}


Example (api/?query=omega_ex_e):

					
{
"accessed":"2019-10-22 20:54:55",
"n_records":562,
"data":
[
{
"reference":"K.P.Huber and G.Herzberg, Molecular Spectra and Molecular Structure.
Springer-Verlag, Berlin, Germany, 1979.",
"reference_date":"OCT 1974",
"id_record":1,
"id_molecule":1,
"chemical_formula":"AgAl",
"state":"X $^1\\Sigma^+$",
"mass":0,
"omega_ex_e":"1.13"},
...
]
}



» Query for a spectroscopy constant of a given molecule

/api/?chemical_formula=chemical_formula&query=name_of_spectroscopy_constant

Example:

api/?chemical_formula=AlF&query=Be

Get a spectroscopy constant of the ground and excited states of a given molecule.

Supported spectroscopy constants:

$T_e$: Te

$\omega_e$: omega_e

$\omega_e x_e$: omega_ex_e

$B_e$: Be

$\alpha_e$: alpha_e

$D_e$: De

$R_e$: Re

$D_0$: D0

IP: IP

Return

A json object containing of a given molecule. When "name_of_spectroscopy_constant" is undefined (e.g. api/?chemical_formula=AlF, or api/?chemical_formula=AlF&query=), the query returns all the spectroscopy constants of the given molecule. The information about the molecules (chemical formula), their states (in Latex) and masses (in the a.u. unit) are also given.


{
"accessed": STRING. Time of access, with the ISO 8601 format,
"id_molecule": INTEGER. A unique ID of the molecule,
"chemical_formula": STRING. The chemical formula of the molecule.
"n_records": INTEGER. Number of records (molecules).
"data":
[
{
"reference": STRING. The reference where the spectroscopy
constant was given, with the APS format.
"reference_date": STRING. Date of the reference where the
spectroscopy constant was given, with the format of "Month Year".
"id_record": INTEGER. A unique ID of the record.
"state": STRING. The state symbol, in the Latex format.
"mass": FLOAT. Mass of the molecule in the corresponding state, in the a.u. unit.
"name_of_spectroscopy_constant": FLOAT. The value of the queried
spectroscopy constant.
},
...
]
}


Example (api/?chemical_formula=AlF&query=Be):

					
{
"accessed":"2019-10-23 11:25:14",
"id_molecule":11,
"chemical_formula":"AlF",
"n_records":3,
"data":
[
{
"reference":"K.P.Huber and G.Herzberg, Molecular Spectra and Molecular Structure.
Springer-Verlag, Berlin, Germany, 1979.",
"reference_date":"MAR 1976",
"id_record":33,
"state":"X $^1\\Sigma^+$",
"mass":20322.423999999999,
"Be":"0.55248"
},
......
]
}



Xiangyue Liu, Jesús Pérez Ríos, Stefan Truppe @ Fritz-Haber-Institut