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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202100

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-1202100
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 224
  • Number of elements: 6
  • Element list: ['Al', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: Al-C-H-N-O-P
  • Density: 2.1777482285450476
  • Atomic Density: 0.08849946283941905
  • Unit Cell Volume: 2531.088809052374
  • Molar Volume: 6.804720126863464
  • Full Formula: Al24 P24 H56 C8 N8 O104
  • Reduced Formula: Al3P3H7CNO13
  • Formula Anonymous: ABC3D3E7F13
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1560.51496105
  • Final energy per atom: -6.966584647544643
  • 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.