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  1. Third-Parties
  2. MatprojStructure
  3. mp-554336

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-554336
  • 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: 104
  • Number of elements: 4
  • Element list: ['Nb', 'Ag', 'P', 'S']
  • Chemical System: Ag-Nb-P-S
  • Density: 3.5974045704370456
  • Atomic Density: 0.044909642740814576
  • Unit Cell Volume: 2315.761018189601
  • Molar Volume: 13.40946040197952
  • Full Formula: Nb8 Ag16 P16 S64
  • Reduced Formula: NbAg2(PS4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -548.40363808
  • Final energy per atom: -5.2731119046153845
  • 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.