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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208507

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-1208507
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['Tl', 'Mo', 'P', 'O']
  • Chemical System: Mo-O-P-Tl
  • Density: 4.4880779097051375
  • Atomic Density: 0.06365495959129004
  • Unit Cell Volume: 1570.9694993457051
  • Molar Volume: 9.460599454726564
  • Full Formula: Tl8 Mo12 P12 O68
  • Reduced Formula: Tl2Mo3P3O17
  • Formula Anonymous: A2B3C3D17
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -772.00886445
  • Final energy per atom: -7.7200886445000005
  • 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.