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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247695

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-1247695
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Ca', 'Ti', 'Mn', 'O']
  • Chemical System: Ca-Mn-O-Ti
  • Density: 4.0453301473591825
  • Atomic Density: 0.08377392317106906
  • Unit Cell Volume: 453.60177202639505
  • Molar Volume: 7.188562421390478
  • Full Formula: Ca8 Ti1 Mn7 O22
  • Reduced Formula: Ca8TiMn7O22
  • Formula Anonymous: AB7C8D22
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -295.49859803000004
  • Final energy per atom: -7.776278895526317
  • 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.