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  1. Third-Parties
  2. MatprojStructure
  3. mp-21459

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-21459
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['In', 'Ag', 'S']
  • Chemical System: Ag-In-S
  • Density: 4.684610801756364
  • Atomic Density: 0.039344201148669475
  • Unit Cell Volume: 406.6672986837625
  • Molar Volume: 15.306298219766129
  • Full Formula: In4 Ag4 S8
  • Reduced Formula: InAgS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -66.22879406
  • Final energy per atom: -4.13929962875
  • 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.