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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234454

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-1234454
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 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: 4.390473864958488
  • Atomic Density: 0.0887762729113437
  • Unit Cell Volume: 281.6067760015811
  • Molar Volume: 6.783502576205246
  • Full Formula: Ca1 Mn8 O13 F3
  • Reduced Formula: CaMn8O13F3
  • Formula Anonymous: AB3C8D13
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -195.54621907
  • Final energy per atom: -7.8218487628
  • 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.