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  1. Third-Parties
  2. MatprojStructure
  3. mp-733443

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-733443
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 5
  • Element list: ['Ca', 'Si', 'H', 'C', 'O']
  • Chemical System: C-Ca-H-O-Si
  • Density: 2.683645274965433
  • Atomic Density: 0.07953699298039837
  • Unit Cell Volume: 515.4834054400864
  • Molar Volume: 7.571496651230121
  • Full Formula: Ca7 Si6 H4 C1 O23
  • Reduced Formula: Ca7Si6H4CO23
  • Formula Anonymous: AB4C6D7E23
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -307.15931414
  • Final energy per atom: -7.491690588780488
  • 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.