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  1. Third-Parties
  2. MatprojStructure
  3. mp-684727

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-684727
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Cs', 'Ta', 'Co', 'O', 'F']
  • Chemical System: Co-Cs-F-O-Ta
  • Density: 5.19385242345001
  • Atomic Density: 0.0585514402313636
  • Unit Cell Volume: 307.42198533244857
  • Molar Volume: 10.285213713281447
  • Full Formula: Cs2 Ta2 Co2 O4 F8
  • Reduced Formula: CsTaCo(OF2)2
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -129.10354663
  • Final energy per atom: -7.172419257222223
  • 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.