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  1. Third-Parties
  2. MatprojStructure
  3. mp-738646

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-738646
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Ag', 'Te', 'Cl', 'O']
  • Chemical System: Ag-Cl-O-Te
  • Density: 5.227848395717094
  • Atomic Density: 0.056376155271387784
  • Unit Cell Volume: 922.3757765970113
  • Molar Volume: 10.682070692849068
  • Full Formula: Ag16 Te4 Cl8 O24
  • Reduced Formula: Ag4Te(ClO3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -206.84686741
  • Final energy per atom: -3.9778243732692307
  • 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.