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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223994

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-1223994
  • 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: 14
  • Number of elements: 4
  • Element list: ['In', 'Ag', 'Se', 'Br']
  • Chemical System: Ag-Br-In-Se
  • Density: 5.582280136918936
  • Atomic Density: 0.035965945481710844
  • Unit Cell Volume: 389.2571100937464
  • Molar Volume: 16.7440079201097
  • Full Formula: In4 Ag2 Se6 Br2
  • Reduced Formula: In2AgSe3Br
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -51.76363263
  • Final energy per atom: -3.6974023307142856
  • 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.