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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182005

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-1182005
  • 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: 10
  • Number of elements: 4
  • Element list: ['Ca', 'Fe', 'Cl', 'O']
  • Chemical System: Ca-Cl-Fe-O
  • Density: 3.1219703351192925
  • Atomic Density: 0.05753930475547624
  • Unit Cell Volume: 173.79424451680157
  • Molar Volume: 10.466134037580373
  • Full Formula: Ca2 Fe2 Cl2 O4
  • Reduced Formula: CaFeClO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -64.12340707
  • Final energy per atom: -6.412340707
  • 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.