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  1. Third-Parties
  2. MatprojStructure
  3. mp-732347

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-732347
  • 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: 38
  • Number of elements: 4
  • Element list: ['Tl', 'Te', 'P', 'O']
  • Chemical System: O-P-Te-Tl
  • Density: 4.8104646067827455
  • Atomic Density: 0.06693576230876916
  • Unit Cell Volume: 567.7084818233507
  • Molar Volume: 8.996895758384525
  • Full Formula: Tl4 Te2 P4 O28
  • Reduced Formula: Tl2Te(PO7)2
  • Formula Anonymous: AB2C2D14
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -216.57574831
  • Final energy per atom: -5.699361797631579
  • 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.