feat(data): add 5 modern scintillators (GAGG, LSO:Ce, LaBr3:Ce, CeBr3, SrI2:Eu) (#115, #116, #122, #123, #124)#206
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…, SrI2:Eu) Adds primary-paper-cited entries for five modern scintillators that were missing from the catalog. Every numeric value carries a `_sources` entry pointing to the discovery / reference paper for that material. New entries (lowercase parent + grade convention): - `gagg.Ce` — Gd3Al2Ga3O12:Ce garnet (Kamada et al. 2011, Cryst. Growth Des., DOI 10.1021/cg200694a). light_yield = 40000 ph/MeV, decay_time = 53 ns from the cited abstract. - `lso.Ce` — Lu2SiO5:Ce (Melcher & Schweitzer 1992, IEEE TNS, DOI 10.1109/23.159655). density = 7.4 g/cm^3, decay_components = [12 ns @ 30%, 42 ns @ 70%]. Sibling of `lyso` (the Y-co-doped variant). - `labr3.Ce` — composition-only sibling for the 5%-Ce production formulation. No scalar overrides: van Loef 2001 (parent `labr3`) measured 0.5%-Ce; the 5% values need a separate primary citation. - `cebr3` — Shah et al. 2005, IEEE TNS 52(6) 3157 (DOI 10.1109/TNS.2005.860155). density = 5.2 g/cm^3, light_yield = 68000 ph/MeV, decay_time = 17 ns, emission_peak = 370 nm, intrinsic_resolution_pct_at_662keV = 4.0. - `sri2.Eu` — Cherepy et al. 2008, Appl. Phys. Lett. 92, 083508 (DOI 10.1063/1.2885728). light_yield = 115000 ph/MeV (small-sample scalar), decay_time = 1000 ns, emission_peak = 435 nm. Each material also carries an `optical._review` entry pointing to the LBNL Scintillator Library overview (Shook, Laplace et al. 2025, NIM A 1075, 170389, DOI 10.1016/j.nima.2025.170389) — flagged as a review only; no values are extracted from it. Intentionally omitted (not stated as scalars in the cited primary paper — would require a separate citation): - GAGG:Ce: density, refractive index, emission peak, hygroscopic. - LSO:Ce: refractive index, emission peak (~420 nm widely cited but loosely worded in the Melcher 1992 abstract). - CeBr3: hygroscopic flag. - SrI2:Eu: density, hygroscopic flag, Eu doping % (paper studies range 0.5-8%; no single canonical scalar in the abstract). Closes #115 Closes #116 Closes #122 Closes #123 Closes #124
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…#134, #135, #136, #137) (#208) * feat(data): add 4 technical ceramics (AlN, LTCC 951, sapphire, Si3N4) Adds four primary-source-cited ceramic entries to `src/pymat/data/ceramics.toml`, with `_sources` provenance per property: - Aluminum nitride (AlN) — sintered AlN-170 grade. Vendor scalars from CoorsTek; Slack 1987 (DOI 10.1016/0022-3697(87)90153-3) cited as the intrinsic-thermal-conductivity review (~285 W/(m·K) single-crystal upper bound vs the 170 W/(m·K) commercial scalar). Anisotropic CTE [a,a,c] = [4.2e-6, 4.2e-6, 5.3e-6] / K. Closes #134. - LTCC DuPont 951 — DuPont GreenTape 951 public TDS (MCM951, 7/2011). All scalars verbatim from the "Typical Tape Properties" table. Includes x/y shrinkage 12.7 %, z shrinkage 15 %, dielectric constant at 10 GHz, and surface roughness in a `[ltcc951.custom]` block since the schema has no shrinkage field. License = proprietary-reference-only. Closes #135. - Sapphire (single-crystal Al2O3) — distinct entry from polycrystalline `alumina`. Refractive index n_o = 1.768 at sodium D-line from Malitson & Dodge 1972 (DOI 10.1364/JOSA.62.001405). Mechanical and thermal scalars from Crystran technical brief; hardness/toughness from Dobrovinskaya 2009 textbook (Springer ISBN 978-0-387-85695-7). Anisotropic CTE [a,a,c] = [5.0e-6, 5.0e-6, 5.6e-6] / K. Canonical scalars favor c-axis where the schema accepts a single value; perpendicular-c values documented in source notes. No refractive_index_dispersion populated — that's #201's enricher territory. Closes #136. - Silicon nitride (Si3N4) — sintered SSN/DPSSN grade, the most common engineering Si3N4. All scalars verbatim from the Superior Technical Ceramics 2021 datasheet (ASTM-method-stamped). Riley 2000 (DOI 10.1111/j.1151-2916.2000.tb01182.x) cited as the materials-class review. Closes #137. Each `_sources` entry uses the standard kind (doi/handbook/vendor) and license (proprietary-reference-only / CC-BY-SA-4.0 for Wikipedia). `note` fields document conditions (room temperature, polycrystalline vs single-crystal, grade designation) and any unit conversions. Updates `_CATEGORY_BASES["ceramics"]` in `src/pymat/__init__.py` to include the new top-level keys (mirrors PR #206 pattern). Validation: - `python -c "import tomllib; tomllib.loads(...)"` parses cleanly - `python scripts/check_licenses.py` passes (7 TOMLs scanned) - `pytest` — 627 passed, 25 skipped - `ruff check . && ruff format --check .` — all clean - Spot-check: each material's properties load and source_of() returns the cited primary source. * chore(typos): allowlist DuPont brand name (#135) `typos` was rewriting "DuPont" → "DuPoint" inside ceramics.toml citation notes for LTCC 951. Adding the brand to the allowlist; same pattern as the LSO and ANID entries above. * chore(typos): allowlist Pont substring (#135) `typos` 1.46 matches the substring "Pont" → "Point" inside any word, so allowlisting just "DuPont" doesn't suppress the rewrite — need to allowlist "Pont" itself. Verified locally that ceramics.toml no longer trips the hook.
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Summary
Adds five modern scintillators with primary-paper-cited values to
src/pymat/data/scintillators.toml:gagg.Ce) — Kamada et al. 2011 (DOI10.1021/cg200694a)lso.Ce, sibling oflyso) — Melcher & Schweitzer 1992 (DOI10.1109/23.159655)labr3.Ce, composition-only sibling oflabr3) — production formulation; van Loef 2001 measured 0.5% Ce so no 5%-specific scalars are attachedcebr3) — Shah et al. 2005 (DOI10.1109/TNS.2005.860155)sri2.Eu) — Cherepy et al. 2008 (DOI10.1063/1.2885728)Every numeric value transcribed here is taken verbatim from the cited primary paper's abstract. Each material also carries an
optical._reviewentry pointing to the LBNL Scintillator Library overview (Shook, Laplace et al. 2025, NIM A 1075, 170389, DOI10.1016/j.nima.2025.170389) for cross-cuts — flagged as a review only, no values extracted from it.10.1021/cg200694a10.1109/23.159655labr3cites10.1063/1.1385342)10.1109/TNS.2005.86015510.1063/1.2885728Intentionally omitted (not stated as scalars in the cited primary paper)
labr3retains the van Loef 2001 0.5%-Ce values.Provenance precision
_sourcesentries usekind = "doi", bare DOI inref,license = "proprietary-reference-only"(none of these journals are open-access)._sources.ref— only as a discovery index per LBNL Scintillator Library — discovery index (cite primary) #170 policy.Test plan
python -c "import tomllib; tomllib.loads(open('src/pymat/data/scintillators.toml').read())"— parses cleanlypython scripts/check_licenses.py— passed (7 TOML files scanned)uv run pytest tests/test_toml_integrity.py tests/test_sources.py -v— 43 passeduv run pytest— full suite: 714 passed, 18 skipped, 0 faileduv run ruff check . && uv run ruff format --check .— cleanmaterial.properties.optical/mechanical.<field>returns the expected value, andmaterial.source_of("<group>.<field>")resolves to the correct primary DOI.Closes #115
Closes #116
Closes #122
Closes #123
Closes #124