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  1. Third-Parties
  2. MatprojStructure
  3. mp-675033

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-675033
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 3
  • Element list: ['Ga', 'Ag', 'Te']
  • Chemical System: Ag-Ga-Te
  • Density: 4.99977254197396
  • Atomic Density: 0.028578131591544202
  • Unit Cell Volume: 1154.729093967926
  • Molar Volume: 21.0725489198246
  • Full Formula: Ga12 Ag2 Te19
  • Reduced Formula: Ga12Ag2Te19
  • Formula Anonymous: A2B12C19
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -118.29010981
  • Final energy per atom: -3.584548782121212
  • 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.