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  1. Third-Parties
  2. MatprojStructure
  3. mp-560619

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-560619
  • 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: 108
  • Number of elements: 5
  • Element list: ['Ag', 'H', 'C', 'N', 'O']
  • Chemical System: Ag-C-H-N-O
  • Density: 2.077058660541296
  • Atomic Density: 0.10892273920941938
  • Unit Cell Volume: 991.5284979415981
  • Molar Volume: 5.52881868718118
  • Full Formula: Ag4 H48 C24 N20 O12
  • Reduced Formula: AgH12C6N5O3
  • Formula Anonymous: AB3C5D6E12
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -647.8490057399999
  • Final energy per atom: -5.998601904999999
  • 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.