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  1. Third-Parties
  2. MatprojStructure
  3. mp-11430

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-11430
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'Ag']
  • Chemical System: Ag-Al-Ca
  • Density: 3.5338776869612056
  • Atomic Density: 0.04865816953822048
  • Unit Cell Volume: 246.61840167608702
  • Molar Volume: 12.376422740830133
  • Full Formula: Ca3 Al7 Ag2
  • Reduced Formula: Ca3Al7Ag2
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -41.62241407
  • Final energy per atom: -3.468534505833333
  • 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.