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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201838

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-1201838
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 296
  • Number of elements: 4
  • Element list: ['Al', 'H', 'C', 'O']
  • Chemical System: Al-C-H-O
  • Density: 1.6060721979901942
  • Atomic Density: 0.10551336108484624
  • Unit Cell Volume: 2805.331921537199
  • Molar Volume: 5.707467469600773
  • Full Formula: Al8 H128 C48 O112
  • Reduced Formula: AlH16(C3O7)2
  • Formula Anonymous: AB6C14D16
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -1858.79841181
  • Final energy per atom: -6.279724364222973
  • 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.