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changed descritpion
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aalbino2 committed Sep 2, 2024
1 parent ce2729b commit 5ff9d41
Showing 1 changed file with 27 additions and 17 deletions.
44 changes: 27 additions & 17 deletions src/nomad_material_processing/general.py
Original file line number Diff line number Diff line change
Expand Up @@ -452,6 +452,12 @@ class Miscut(ArchiveSection):
It can be either directed along one of the crystallographic axes or in a specific
direction in the crystal defined by a main direction and the perpendicular one.
Refs.
https://dictionary.iucr.org/Miller_indices
https://dictionary.iucr.org/Direction_indices
"""

angle = Quantity(
Expand Down Expand Up @@ -479,9 +485,10 @@ class Miscut(ArchiveSection):
hkl_reciprocal = Quantity(
type=str,
description="""Orientation of the miscut (or offcut).
Reciprocal (or Absolute) Miller indices, (hkl), denote a family of planes
specified an orthogonal vector in the basis of
the primitive reciprocal lattice vectors. """,
The reciprocal lattice vector associated with the family of lattice planes is
OH = h a* + k b* + l c*, where a*, b*, c* are the reciprocal lattice basis
vectors. OH is perpendicular to the family of lattice planes and OH = 1/d where
d is the lattice spacing of the family.""",
a_eln=ELNAnnotation(
component=ELNComponentEnum.StringEditQuantity,
label='Miscut Reciprocal Indices (hkl)',
Expand All @@ -490,11 +497,12 @@ class Miscut(ArchiveSection):
hkl_direct = Quantity(
type=str,
description="""Orientation of the miscut (or offcut).
Direct (or Relative) Miller indices, [hkl], denote a family of planes
specified an orthogonal vector in the basis of
the real space vectors.
Note that [hkl] is not generally normal to the (hkl) planes,
except in a cubic lattice. """,
In three-dimensional space, the direction passing through the origin and the
lattice nodes nh,nk,nl, where n is an integer, has direction indices [hkl].
This corresponds to taking the coordinates of the first lattice node on that
direction after the origin as direction indices.
When a primitive unit cell is used, the direction indices are all integer;
they may instead be rational when a centred unit cell is adopted.""",
a_eln=ELNAnnotation(
component=ELNComponentEnum.StringEditQuantity,
label='Miscut Direct Orientation [hkl]',
Expand Down Expand Up @@ -574,21 +582,23 @@ class SubstrateCrystalProperties(CrystalProperties):
)
hkl_reciprocal = Quantity(
type=str,
description="""Reciprocal (or Absolute) Miller indices, (hkl),
denote a family of planes specified an orthogonal vector in the basis of
the primitive reciprocal lattice vectors. """,
description="""The reciprocal lattice vector associated with the family of
lattice planes is OH = h a* + k b* + l c*, where a*, b*, c* are the reciprocal
lattice basis vectors. OH is perpendicular to the family of lattice planes and
OH = 1/d where d is the lattice spacing of the family.""",
a_eln=ELNAnnotation(
component=ELNComponentEnum.StringEditQuantity,
label='Reciprocal Indices (hkl)',
),
)
hkl_direct = Quantity(
type=str,
description="""Direct (or Relative) Miller indices, [hkl],
denote a family of planes specified an orthogonal vector in the basis of
the real space vectors.
Note that [hkl] is not generally normal to the (hkl) planes,
except in a cubic lattice. """,
description="""In three-dimensional space, the direction passing through the
origin and the lattice nodes nh,nk,nl, where n is an integer, has direction
indices [hkl]. This corresponds to taking the coordinates of the first lattice
node on that direction after the origin as direction indices.
When a primitive unit cell is used, the direction indices are all integer;
they may instead be rational when a centred unit cell is adopted.""",
a_eln=ELNAnnotation(
component=ELNComponentEnum.StringEditQuantity,
label='Direct Orientation [hkl]',
Expand All @@ -603,7 +613,7 @@ class SubstrateCrystalProperties(CrystalProperties):
miscut_perpendicular = SubSection(
section_def=Miscut,
description="""
Miscut of the substrate along a direction perperndicular to the reference.
Miscut of the substrate along a direction perpendicular to the reference.
""",
)

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