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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228916

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-1228916
  • 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: 120
  • Number of elements: 7
  • Element list: ['Ca', 'Al', 'Si', 'H', 'S', 'O', 'F']
  • Chemical System: Al-Ca-F-H-O-S-Si
  • Density: 2.126556601683675
  • Atomic Density: 0.09919715794919015
  • Unit Cell Volume: 1209.7120772498874
  • Molar Volume: 6.07088034022568
  • Full Formula: Ca8 Al2 Si2 H48 S2 O32 F26
  • Reduced Formula: Ca4AlSiH24SO16F13
  • Formula Anonymous: ABCD4E13F16G24
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -678.00015482
  • Final energy per atom: -5.650001290166667
  • 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.