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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194928

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-1194928
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Ca', 'Ti', 'Mn', 'O']
  • Chemical System: Ca-Mn-O-Ti
  • Density: 4.277604012269971
  • Atomic Density: 0.0898366272207237
  • Unit Cell Volume: 445.2526907730204
  • Molar Volume: 6.703435944009705
  • Full Formula: Ca4 Ti8 Mn4 O24
  • Reduced Formula: CaTi2MnO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 105
  • Spacegroup Symbol: P4_2mc
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -356.08438573
  • Final energy per atom: -8.90210964325
  • 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.