MAPIDOC for surface data

materials/surface/README.md

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+Surface properties for various facets of a material. Contains surface energy, work function and optionally the slab models (cif) for each facet as well as data on the occupation of each facet on the Wulff shape. Surface energy is defined in units of J/m^2. Work function is defined in units of eV. 
+
+
+
+
+
+
+## Example response in JSON
+
+```json
+{"shape_factor": 4.96013873346222,
+ "surface_anisotropy": 0.04637705541263514,
+ "surfaces": [{"area_fraction": 0.19226716616368875,
+   "is_reconstructed": False,
+   "miller_index": [2, 2, 1],
+   "surface_energy": 0.5184086506489078,
+   "work_function": 2.552218081720839},
+  {"area_fraction": 0.26542926842680997,
+   "is_reconstructed": False,
+   "miller_index": [1, 0, 0],
+   "surface_energy": 0.45996547797531456,
+   "work_function": 2.714391152777596},
+  {"area_fraction": 0.0,
+   "is_reconstructed": False,
+   "miller_index": [1, 1, 1],
+   "surface_energy": 0.5435974664571257,
+   "work_function": 2.5988445180990416},
+  {"area_fraction": 0.0,
+   "is_reconstructed": False,
+   "miller_index": [2, 1, 0],
+   "surface_energy": 0.5055397635396154,
+   "work_function": 2.9873480137108213},
+  {"area_fraction": 0.15885373888143128,
+   "is_reconstructed": False,
+   "miller_index": [1, 1, 0],
+   "surface_energy": 0.4984494059571347,
+   "work_function": 3.221963437371},
+  {"area_fraction": 0.0,
+   "is_reconstructed": False,
+   "miller_index": [2, 1, 1],
+   "surface_energy": 0.5381822859832309,
+   "work_function": 2.9403203740003514},
+  {"area_fraction": 0.13846314062749543,
+   "is_reconstructed": False,
+   "miller_index": [3, 1, 0],
+   "surface_energy": 0.49709679154472514,
+   "work_function": 2.690052331489229},
+  {"area_fraction": 0.0,
+   "is_reconstructed": False,
+   "miller_index": [3, 3, 1],
+   "surface_energy": 0.5208613660199577,
+   "work_function": 2.936977763228728},
+  {"area_fraction": 0.03221908897702082,
+   "is_reconstructed": False,
+   "miller_index": [3, 1, 1],
+   "surface_energy": 0.526948562929678,
+   "work_function": 2.9073474695901087},
+  {"area_fraction": 0.05298488355024783,
+   "is_reconstructed": False,
+   "miller_index": [3, 3, 2],
+   "surface_energy": 0.5237718675797823,
+   "work_function": 2.9403203740003514},
+  {"area_fraction": 0.0031883557867715346,
+   "is_reconstructed": False,
+   "miller_index": [3, 2, 2],
+   "surface_energy": 0.5352699545482272,
+   "work_function": 2.737616060342865},
+  {"area_fraction": 0.0,
+   "is_reconstructed": False,
+   "miller_index": [3, 2, 1],
+   "surface_energy": 0.5343548100134592,
+   "work_function": 2.695327858441586},
+  {"area_fraction": 0.15659435758653442,
+   "is_reconstructed": False,
+   "miller_index": [3, 2, 0],
+   "surface_energy": 0.5036046642284838,
+   "work_function": 2.9450848018009306}],
+ "weighted_surface_energy": 0.495069471203702,
+ "weighted_work_function": 2.814857404756627}
+```
+

materials/surface/shape_factor/README.md

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+
+
+## Example response in JSON
+
+```json
+4.96013873346222
+```

materials/surface/surface_anisotropy/README.md

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+
+
+## Example response in JSON
+
+```json
+0.04637705541263514
+```

materials/surface/surfaces/README.md

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+## Example response in JSON
+
+```json
+[{"area_fraction": 0.19226716616368875,
+   "is_reconstructed": False,
+   "miller_index": [2, 2, 1],
+   "surface_energy": 0.5184086506489078,
+   "work_function": 2.552218081720839},
+  {"area_fraction": 0.26542926842680997,
+   "is_reconstructed": False,
+   "miller_index": [1, 0, 0],
+   "surface_energy": 0.45996547797531456,
+   "work_function": 2.714391152777596},
+  {"area_fraction": 0.0,
+   "is_reconstructed": False,
+   "miller_index": [1, 1, 1],
+   "surface_energy": 0.5435974664571257,
+   "work_function": 2.5988445180990416},
+  {"area_fraction": 0.0,
+   "is_reconstructed": False,
+   "miller_index": [2, 1, 0],
+   "surface_energy": 0.5055397635396154,
+   "work_function": 2.9873480137108213},
+  {"area_fraction": 0.15885373888143128,
+   "is_reconstructed": False,
+   "miller_index": [1, 1, 0],
+   "surface_energy": 0.4984494059571347,
+   "work_function": 3.221963437371},
+  {"area_fraction": 0.0,
+   "is_reconstructed": False,
+   "miller_index": [2, 1, 1],
+   "surface_energy": 0.5381822859832309,
+   "work_function": 2.9403203740003514},
+  {"area_fraction": 0.13846314062749543,
+   "is_reconstructed": False,
+   "miller_index": [3, 1, 0],
+   "surface_energy": 0.49709679154472514,
+   "work_function": 2.690052331489229},
+  {"area_fraction": 0.0,
+   "is_reconstructed": False,
+   "miller_index": [3, 3, 1],
+   "surface_energy": 0.5208613660199577,
+   "work_function": 2.936977763228728},
+  {"area_fraction": 0.03221908897702082,
+   "is_reconstructed": False,
+   "miller_index": [3, 1, 1],
+   "surface_energy": 0.526948562929678,
+   "work_function": 2.9073474695901087},
+  {"area_fraction": 0.05298488355024783,
+   "is_reconstructed": False,
+   "miller_index": [3, 3, 2],
+   "surface_energy": 0.5237718675797823,
+   "work_function": 2.9403203740003514},
+  {"area_fraction": 0.0031883557867715346,
+   "is_reconstructed": False,
+   "miller_index": [3, 2, 2],
+   "surface_energy": 0.5352699545482272,
+   "work_function": 2.737616060342865},
+  {"area_fraction": 0.0,
+   "is_reconstructed": False,
+   "miller_index": [3, 2, 1],
+   "surface_energy": 0.5343548100134592,
+   "work_function": 2.695327858441586},
+  {"area_fraction": 0.15659435758653442,
+   "is_reconstructed": False,
+   "miller_index": [3, 2, 0],
+   "surface_energy": 0.5036046642284838,
+   "work_function": 2.9450848018009306}]
+```
+

materials/surface/surfaces/area_fraction/README.md

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+
+
+## Example response in JSON
+
+```json
+0.19226716616368875
+```

materials/surface/surfaces/is_reconstructed/README.md

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+
+
+## Example response in JSON
+
+```json
+False
+```

materials/surface/surfaces/miller_index/README.md

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+
+
+## Example response in JSON
+
+```json
+[2, 2, 1]
+```

materials/surface/surfaces/surface_energy/README.md

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+
+
+## Example response in JSON
+
+```json
+0.5184086506489078
+```

materials/surface/surfaces/work_function/README.md

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+
+
+## Example response in JSON
+
+```json
+2.552218081720839
+```

materials/surface/weighted_surface_energy/README.md

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+
+
+## Example response in JSON
+
+```json
+0.495069471203702
+```

materials/surface/weighted_work_function/README.md

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+
+
+## Example response in JSON
+
+```json
+2.814857404756627
+```