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  1. Third-Parties
  2. MatprojStructure
  3. mp-998712

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-998712
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Tl', 'Ge', 'F']
  • Chemical System: F-Ge-Tl
  • Density: 5.233987064051521
  • Atomic Density: 0.04718272482021453
  • Unit Cell Volume: 105.97098872631973
  • Molar Volume: 12.76344421172541
  • Full Formula: Tl1 Ge1 F3
  • Reduced Formula: TlGeF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -24.125164420000004
  • Final energy per atom: -4.8250328840000005
  • 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.