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  1. Third-Parties
  2. MatprojStructure
  3. mp-24555

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-24555
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Mn', 'Tl', 'H', 'O', 'F']
  • Chemical System: F-H-Mn-O-Tl
  • Density: 5.621695170640615
  • Atomic Density: 0.06457314467678137
  • Unit Cell Volume: 681.397819793979
  • Molar Volume: 9.326076328082856
  • Full Formula: Mn4 Tl8 H8 O4 F20
  • Reduced Formula: MnTl2H2OF5
  • Formula Anonymous: ABC2D2E5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -234.72128569
  • Final energy per atom: -5.334574674772727
  • 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.