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  1. Third-Parties
  2. MatprojStructure
  3. mp-1254519

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-1254519
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 5
  • Element list: ['Ca', 'Al', 'Tl', 'Si', 'O']
  • Chemical System: Al-Ca-O-Si-Tl
  • Density: 1.6102519768285872
  • Atomic Density: 0.041227350801603994
  • Unit Cell Volume: 1891.947905538605
  • Molar Volume: 14.6071494842829
  • Full Formula: Ca5 Al11 Tl1 Si13 O48
  • Reduced Formula: Ca5Al11TlSi13O48
  • Formula Anonymous: AB5C11D13E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -612.46093868
  • Final energy per atom: -7.8520633164102565
  • 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.