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  1. Third-Parties
  2. MatprojStructure
  3. mp-703276

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-703276
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 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: 1.5900934958136708
  • Atomic Density: 0.040711232342885345
  • Unit Cell Volume: 1915.9331592582262
  • Molar Volume: 14.792332271544275
  • 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: -610.56526545
  • Final energy per atom: -7.8277598134615385
  • 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.