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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215142

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-1215142
  • 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: 168
  • Number of elements: 6
  • Element list: ['Ag', 'B', 'H', 'C', 'N', 'F']
  • Chemical System: Ag-B-C-F-H-N
  • Density: 2.1755581579249177
  • Atomic Density: 0.07518834675377777
  • Unit Cell Volume: 2234.3888016337983
  • Molar Volume: 8.00940706905146
  • Full Formula: Ag4 B4 H4 C48 N36 F72
  • Reduced Formula: AgBHC12(NF2)9
  • Formula Anonymous: ABCD9E12F18
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -1126.3738404300002
  • Final energy per atom: -6.7046061930357155
  • 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.