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  1. Third-Parties
  2. MatprojStructure
  3. mp-643431

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-643431
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 5
  • Element list: ['Ag', 'H', 'W', 'S', 'N']
  • Chemical System: Ag-H-N-S-W
  • Density: 3.6972598170314583
  • Atomic Density: 0.05591686883794122
  • Unit Cell Volume: 196.72060021601533
  • Molar Volume: 10.769810408113916
  • Full Formula: Ag1 H4 W1 S4 N1
  • Reduced Formula: AgH4WS4N
  • Formula Anonymous: ABCD4E4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -60.83232265999999
  • Final energy per atom: -5.53021115090909
  • 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.