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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196580

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-1196580
  • 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: 64
  • Number of elements: 6
  • Element list: ['Al', 'Co', 'P', 'C', 'N', 'O']
  • Chemical System: Al-C-Co-N-O-P
  • Density: 2.2290854593846197
  • Atomic Density: 0.06550379203402061
  • Unit Cell Volume: 977.0426720755405
  • Molar Volume: 9.193575780883478
  • Full Formula: Al4 Co4 P8 C8 N8 O32
  • Reduced Formula: AlCoP2C2(NO4)2
  • Formula Anonymous: ABC2D2E2F8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -497.82827852
  • Final energy per atom: -7.778566851875
  • 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.