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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213893

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-1213893
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['Co', 'Ag', 'P', 'O']
  • Chemical System: Ag-Co-O-P
  • Density: 3.437331378603975
  • Atomic Density: 0.07178323082736729
  • Unit Cell Volume: 1560.2529826130383
  • Molar Volume: 8.389342037951383
  • Full Formula: Co8 Ag8 P24 O72
  • Reduced Formula: CoAg(PO3)3
  • Formula Anonymous: ABC3D9
  • Spacegroup Number: 54
  • Spacegroup Symbol: Pcca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -800.12034121
  • Final energy per atom: -7.1439316179464285
  • 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.