From 699e9f028233c05aa44a851b78d68e9291a2a8cc Mon Sep 17 00:00:00 2001 From: VsevolodX <79542055+VsevolodX@users.noreply.github.com> Date: Fri, 25 Oct 2024 18:46:29 -0700 Subject: [PATCH] update: build materials --- .../TiN-[Titanium_Nitride]-FCC_[Fm-3m]_3D_[Bulk]-[mp-492].json | 1 + 1 file changed, 1 insertion(+) create mode 100644 materials/TiN-[Titanium_Nitride]-FCC_[Fm-3m]_3D_[Bulk]-[mp-492].json diff --git a/materials/TiN-[Titanium_Nitride]-FCC_[Fm-3m]_3D_[Bulk]-[mp-492].json b/materials/TiN-[Titanium_Nitride]-FCC_[Fm-3m]_3D_[Bulk]-[mp-492].json new file mode 100644 index 0000000..57f265f --- /dev/null +++ b/materials/TiN-[Titanium_Nitride]-FCC_[Fm-3m]_3D_[Bulk]-[mp-492].json @@ -0,0 +1 @@ +{"name": "TiN, Titanium Nitride, FCC (Fm-3m) 3D (Bulk), mp-492", "lattice": {"type": "CUB", "a": 4.241247, "b": 4.241247, "c": 4.241247, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "units": {"length": "angstrom", "angle": "degree"}}, "basis": {"units": "crystal", "elements": [{"id": 0, "value": "Ti"}, {"id": 1, "value": "Ti"}, {"id": 2, "value": "Ti"}, {"id": 3, "value": "Ti"}, {"id": 4, "value": "N"}, {"id": 5, "value": "N"}, {"id": 6, "value": "N"}, {"id": 7, "value": "N"}], "coordinates": [{"id": 0, "value": [0.0, 0.0, 0.0]}, {"id": 1, "value": [0.0, 0.5, 0.5]}, {"id": 2, "value": [0.5, 0.0, 0.5]}, {"id": 3, "value": [0.5, 0.5, 0.0]}, {"id": 4, "value": [0.0, 0.5, 0.0]}, {"id": 5, "value": [0.0, 0.0, 0.5]}, {"id": 6, "value": [0.5, 0.5, 0.5]}, {"id": 7, "value": [0.5, 0.0, 0.0]}]}, "external": {"id": "mp-492", "source": "Materials Project", "doi": null, "url": "https://next-gen.materialsproject.org/materials/mp-492", "origin": true}, "isNonPeriodic": false}