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  1. Third-Parties
  2. MatprojStructure
  3. mp-709031

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-709031
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 6
  • Element list: ['Al', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: Al-C-H-N-O-P
  • Density: 2.0266259984295596
  • Atomic Density: 0.08613500303369385
  • Unit Cell Volume: 951.993929435675
  • Molar Volume: 6.991513958203833
  • Full Formula: Al8 P8 H22 C6 N2 O36
  • Reduced Formula: Al4P4H11C3NO18
  • Formula Anonymous: AB3C4D4E11F18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -557.2325309199999
  • Final energy per atom: -6.795518669756096
  • 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.