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  1. Third-Parties
  2. MatprojStructure
  3. mp-768374

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-768374
  • 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: 30
  • Number of elements: 3
  • Element list: ['Mn', 'Tl', 'O']
  • Chemical System: Mn-O-Tl
  • Density: 7.8273436090862
  • Atomic Density: 0.07669112780817956
  • Unit Cell Volume: 391.17953872103993
  • Molar Volume: 7.852460815366577
  • Full Formula: Mn6 Tl6 O18
  • Reduced Formula: MnTlO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 185
  • Spacegroup Symbol: P6_3cm
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -204.05632446
  • Final energy per atom: -6.801877482
  • 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.