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  1. Third-Parties
  2. MatprojStructure
  3. mp-738697

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-738697
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 94
  • Number of elements: 6
  • Element list: ['Al', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: Al-C-H-N-O-P
  • Density: 1.73118768890355
  • Atomic Density: 0.08796665641232662
  • Unit Cell Volume: 1068.5867103939163
  • Molar Volume: 6.845935727933531
  • Full Formula: Al6 P8 H36 C6 N6 O32
  • Reduced Formula: Al3P4H18C3N3O16
  • Formula Anonymous: A3B3C3D4E16F18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -609.29440931
  • Final energy per atom: -6.481855418191489
  • 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.