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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202937

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-1202937
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 4
  • Element list: ['Al', 'H', 'C', 'N']
  • Chemical System: Al-C-H-N
  • Density: 0.8556847969379904
  • Atomic Density: 0.08462293505073773
  • Unit Cell Volume: 1701.6663380165355
  • Molar Volume: 7.1164404264509145
  • Full Formula: Al12 H96 C24 N12
  • Reduced Formula: AlH8C2N
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -719.51165479
  • Final energy per atom: -4.996608713819445
  • 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.