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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233270

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-1233270
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 4
  • Element list: ['Ca', 'Mn', 'O', 'F']
  • Chemical System: Ca-F-Mn-O
  • Density: 4.167531011501524
  • Atomic Density: 0.08260473253040347
  • Unit Cell Volume: 302.64609828254703
  • Molar Volume: 7.290309617289171
  • Full Formula: Ca1 Mn8 O8 F8
  • Reduced Formula: CaMn8(OF)8
  • Formula Anonymous: AB8C8D8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -190.51829899
  • Final energy per atom: -7.6207319596000005
  • 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.