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  1. Third-Parties
  2. MatprojStructure
  3. mp-1445086

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-1445086
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ca', 'Ag', 'F']
  • Chemical System: Ag-Ca-F
  • Density: 3.4603324918390665
  • Atomic Density: 0.06004418236371857
  • Unit Cell Volume: 233.16163946066885
  • Molar Volume: 10.02951580474656
  • Full Formula: Ca2 Ag2 F10
  • Reduced Formula: CaAgF5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -54.81788261
  • Final energy per atom: -3.9155630435714284
  • 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.