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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178465

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-1178465
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cs', 'As', 'O']
  • Chemical System: As-Cs-O
  • Density: 3.862243598557912
  • Atomic Density: 0.04545871534420345
  • Unit Cell Volume: 219.97981958535757
  • Molar Volume: 13.247494379024282
  • Full Formula: Cs2 As2 O6
  • Reduced Formula: CsAsO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -58.72535957
  • Final energy per atom: -5.872535957
  • 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.