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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233287

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-1233287
  • 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: 15
  • Number of elements: 4
  • Element list: ['Cs', 'Ca', 'Au', 'O']
  • Chemical System: Au-Ca-Cs-O
  • Density: 5.614318911317446
  • Atomic Density: 0.02552038449303221
  • Unit Cell Volume: 587.7654391960837
  • Molar Volume: 23.59737472468025
  • Full Formula: Cs7 Ca1 Au5 O2
  • Reduced Formula: Cs7CaAu5O2
  • Formula Anonymous: AB2C5D7
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -43.29093748
  • Final energy per atom: -2.8860624986666665
  • 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.