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  1. Third-Parties
  2. MatprojStructure
  3. mp-561304

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-561304
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['K', 'Ag', 'As', 'S']
  • Chemical System: Ag-As-K-S
  • Density: 4.128812779347776
  • Atomic Density: 0.040647786643330144
  • Unit Cell Volume: 2164.9395272654983
  • Molar Volume: 14.81542110236442
  • Full Formula: K8 Ag24 As16 S40
  • Reduced Formula: KAg3As2S5
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -364.40824419
  • Final energy per atom: -4.141002774886363
  • 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.