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  1. Third-Parties
  2. MatprojStructure
  3. mp-696762

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-696762
  • 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: 32
  • Number of elements: 4
  • Element list: ['Tl', 'P', 'H', 'O']
  • Chemical System: H-O-P-Tl
  • Density: 3.3869751605274825
  • Atomic Density: 0.08171694243592646
  • Unit Cell Volume: 391.5956599219424
  • Molar Volume: 7.369513078296962
  • Full Formula: Tl2 P4 H10 O16
  • Reduced Formula: TlP2H5O8
  • Formula Anonymous: AB2C5D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -200.6079487
  • Final energy per atom: -6.268998396875
  • 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.