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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224083

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-1224083
  • 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: 16
  • Number of elements: 4
  • Element list: ['In', 'Ag', 'Hg', 'Te']
  • Chemical System: Ag-Hg-In-Te
  • Density: 6.088146919898707
  • Atomic Density: 0.02806736888542491
  • Unit Cell Volume: 570.0569962690245
  • Molar Volume: 21.456021704717877
  • Full Formula: In3 Ag3 Hg2 Te8
  • Reduced Formula: In3Ag3(HgTe4)2
  • Formula Anonymous: A2B3C3D8
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -49.97045161
  • Final energy per atom: -3.123153225625
  • 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.