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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199100

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-1199100
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Al', 'Tl', 'P', 'O']
  • Chemical System: Al-O-P-Tl
  • Density: 5.341777304255521
  • Atomic Density: 0.06757987475227686
  • Unit Cell Volume: 1183.7843780156559
  • Molar Volume: 8.91114519237416
  • Full Formula: Al8 Tl12 P12 O48
  • Reduced Formula: Al2Tl3(PO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -570.97951761
  • Final energy per atom: -7.137243970125001
  • 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.