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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213950

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1213950
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Ca', 'Ag', 'As', 'O']
  • Chemical System: Ag-As-Ca-O
  • Density: 4.7010518648197985
  • Atomic Density: 0.06908214529131833
  • Unit Cell Volume: 202.6572849028098
  • Molar Volume: 8.71736211231531
  • Full Formula: Ca2 Ag2 As2 O8
  • Reduced Formula: CaAgAsO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -87.27257555999999
  • Final energy per atom: -6.233755397142857
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.