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  1. Third-Parties
  2. MatprojStructure
  3. mp-568392

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-568392
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Ag', 'Te', 'Br']
  • Chemical System: Ag-Br-Te
  • Density: 6.9579081584041775
  • Atomic Density: 0.03895056194258206
  • Unit Cell Volume: 1745.8027974086842
  • Molar Volume: 15.460985566465972
  • Full Formula: Ag40 Te16 Br12
  • Reduced Formula: Ag10Te4Br3
  • Formula Anonymous: A3B4C10
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -208.57111242
  • Final energy per atom: -3.067222241470588
  • 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.