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  1. Third-Parties
  2. MatprojStructure
  3. mp-703539

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-703539
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Ag', 'B', 'H', 'C', 'Br']
  • Chemical System: Ag-B-Br-C-H
  • Density: 2.66732827232553
  • Atomic Density: 0.05544545597712908
  • Unit Cell Volume: 1803.5743098812175
  • Molar Volume: 10.861378365224551
  • Full Formula: Ag4 B44 H24 C4 Br24
  • Reduced Formula: AgB11H6CBr6
  • Formula Anonymous: ABC6D6E11
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -511.95693396
  • Final energy per atom: -5.1195693396
  • 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.