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  1. Third-Parties
  2. MatprojStructure
  3. mp-759408

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-759408
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Ag', 'H', 'C', 'N', 'F']
  • Chemical System: Ag-C-F-H-N
  • Density: 2.117758147741158
  • Atomic Density: 0.09510183206684374
  • Unit Cell Volume: 462.66195975145826
  • Molar Volume: 6.332307831638037
  • Full Formula: Ag2 H16 C8 N16 F2
  • Reduced Formula: AgH8C4N8F
  • Formula Anonymous: ABC4D8E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -287.16146706
  • Final energy per atom: -6.526396978636364
  • 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.