Material parser Guidelines¶
This section provides the guidelines for the material parser. The material parser assume that the input string is a material name and outputs such name segmenting various components, such as formula, name, doping ratio etc.. more details below.
Notations¶
- In this guidelines we use only the XML notation where each class is represented by a
<class_name>
tag.
Data quality¶
The “pre-annotated” data can for this model may contains mistakes or be incomplete. The quality depends on external causes and often incorrect data cannot be fixed.
It may happens happens that the upstream model is not able to extract the material correctly, or a formula is truncated irremediably.
For example the formula 0.1 Cu O 7
misses the initial material.
All lines that contains mistakes should be ignored using the notation <!-- -->
.
Tag set¶
The component to be annotated are:
In each section we provide a Motivation
section which describes why such data is important, and Utilisation
, describing how we plan to use the data.
Material name¶
Represent the canonical name of a material
Tag: <name>
Examples:
PCCO
PCO
Metal diboride
hydryde
carbon
Formula¶
Identify the material as expressed from the chemical formula
Tag: <formula>
Examples:
Pr1.869Ce0.131CuO 4−δ
MgB2
La 2-x Sr x CuO 4
Doping¶
Identify the doping ratio and doping materials that are adjointed to the material name
Tag: <doping>
Examples:
overdoped
underdopded
optimally doped
bulk
pure
Zn-doped
should be annotated as<doping>Zn</doping>-doped
Zn concentration
should be annotated as<doping>Zn concentration</doping>
1% Zn
should be annotated as<doping>1% Zn</doping>
Shape¶
Identify the shape of the material,
Tag: <shape>
Examples:
single crystal
polycrystaline
thin film
powder
film
Variables¶
Identify the variables that can be substituted in the formula.
Tag: <variable>
Examples:
La x Fe 1-x O 7 with x < 3
, the variable should bex
asLa x Fe 1-x O 7 with <variable>x</variable> < 3
La x Fe 1-x O 7 with 1 < x < 3
, the variable should bex
asLa x Fe 1-x O 7 with 1 < <variable>x</variable> < 3
La x Fe 1-x O 7 with x = 1,2,3, and 4
, the variable should bex`
asLa x Fe 1-x O 7 with <variable>x</variable> = 1,2,3, and 4
La x Fe y O 7 with x = 1,2,3, and 4 and y = 2,3,4
the variables should bex
andy
asLa x Fe y O 7 with <variable>x</variable> = 1,2,3, and 4 and <variable>y</variable> = 2,3,4
Values¶
Identify the values expressed in the stoichiometric doping.
Tag: <value>
Examples:
La x Fe 1-x O 7 with x < 3
, the value should be< 3
asLa x Fe 1-x O 7 with x <value>< 3</value>
La x Fe 1-x O 7 with 1 < x < 3
, the value should be< 3
and1 <
asLa x Fe 1-x O 7 with <value>1 <</value> x <value>< 3</value>
La x Fe 1-x O 7 with x = 1,2,3, and 4
, the value should be1,2,3, and 4
asLa x Fe 1-x O 7 with x = <value>1,2,3, and 4</value>
Substrate¶
Identify the substrates as defined in the material name
Tag: <substrate>
Examples:
PCCO films onto Pr 2 CuO 4 (PCO)/SrTiO 3`
the substrate should be annotated asPCCO films onto <substrate>Pr 2 CuO 4 (PCO)/SrTiO 3</substrate>`
Fabrication¶
Represent all the various information that are not belonging to any of the previous tags
Examples:
HfNCl containing cointercalated tetrahydrofuran solvent (THF)
intercalated
synthesized by MBE method
electron-doped
hole-doped