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  1. Third-Parties
  2. MatprojStructure
  3. mp-738633

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-738633
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 176
  • Number of elements: 5
  • Element list: ['Ag', 'B', 'H', 'C', 'N']
  • Chemical System: Ag-B-C-H-N
  • Density: 1.3473959252576235
  • Atomic Density: 0.10876439394225049
  • Unit Cell Volume: 1618.1766258307744
  • Molar Volume: 5.536867849599303
  • Full Formula: Ag4 B40 H104 C24 N4
  • Reduced Formula: AgB10H26C6N
  • Formula Anonymous: ABC6D10E26
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -910.10107542
  • Final energy per atom: -5.171028837613637
  • 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.