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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214089

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-1214089
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Ca', 'As', 'C', 'O']
  • Chemical System: As-C-Ca-O
  • Density: 3.423503670720399
  • Atomic Density: 0.06881467527268939
  • Unit Cell Volume: 610.3349297743271
  • Molar Volume: 8.751244899632649
  • Full Formula: Ca10 As6 C2 O24
  • Reduced Formula: Ca5As3CO12
  • Formula Anonymous: AB3C5D12
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -282.581661
  • Final energy per atom: -6.7281347857142855
  • 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.