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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224453

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-1224453
  • 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: 35
  • Number of elements: 5
  • Element list: ['Hf', 'Tl', 'Fe', 'Mo', 'O']
  • Chemical System: Fe-Hf-Mo-O-Tl
  • Density: 4.462792304466219
  • Atomic Density: 0.05671412560333393
  • Unit Cell Volume: 617.1302057056229
  • Molar Volume: 10.618414188591476
  • Full Formula: Hf1 Tl2 Fe2 Mo6 O24
  • Reduced Formula: HfTl2Fe2(MoO4)6
  • Formula Anonymous: AB2C2D6E24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -287.18989319
  • Final energy per atom: -8.205425519714286
  • 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.