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  1. Third-Parties
  2. MatprojStructure
  3. mp-557494

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-557494
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 6
  • Element list: ['Ag', 'B', 'Te', 'C', 'O', 'F']
  • Chemical System: Ag-B-C-F-O-Te
  • Density: 3.19322675684434
  • Atomic Density: 0.0579082725482908
  • Unit Cell Volume: 2348.541823391244
  • Molar Volume: 10.399448118536128
  • Full Formula: Ag4 B4 Te16 C8 O24 F80
  • Reduced Formula: AgBTe4C2(O3F10)2
  • Formula Anonymous: ABC2D4E6F20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -718.56846328
  • Final energy per atom: -5.283591641764706
  • 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.