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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226541

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-1226541
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 5
  • Element list: ['Cs', 'Zr', 'Fe', 'Mo', 'O']
  • Chemical System: Cs-Fe-Mo-O-Zr
  • Density: 3.636242978826799
  • Atomic Density: 0.053658317421937364
  • Unit Cell Volume: 652.2753914324343
  • Molar Volume: 11.223126347114906
  • Full Formula: Cs2 Zr1 Fe2 Mo6 O24
  • Reduced Formula: Cs2ZrFe2(MoO4)6
  • Formula Anonymous: AB2C2D6E24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -286.74511619
  • Final energy per atom: -8.192717605428571
  • 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.