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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215046

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-1215046
  • 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: 40
  • Number of elements: 5
  • Element list: ['Ag', 'H', 'S', 'N', 'O']
  • Chemical System: Ag-H-N-O-S
  • Density: 3.9225113616947787
  • Atomic Density: 0.05484585746979579
  • Unit Cell Volume: 729.3167040378288
  • Molar Volume: 10.980119625837663
  • Full Formula: Ag12 H4 S4 N12 O8
  • Reduced Formula: Ag3HSN3O2
  • Formula Anonymous: ABC2D3E3
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -197.04170823
  • Final energy per atom: -4.9260427057500005
  • 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.