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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228309

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-1228309
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Ba', 'Ga', 'Ag', 'Se']
  • Chemical System: Ag-Ba-Ga-Se
  • Density: 5.0300167960141335
  • Atomic Density: 0.03411705835644862
  • Unit Cell Volume: 1289.6774258875505
  • Molar Volume: 17.65140680383931
  • Full Formula: Ba8 Ga10 Ag2 Se24
  • Reduced Formula: Ba4Ga5AgSe12
  • Formula Anonymous: AB4C5D12
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -196.72353747
  • Final energy per atom: -4.4709894879545455
  • 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.