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  1. Third-Parties
  2. MatprojStructure
  3. mp-757493

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-757493
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['Ti', 'H', 'O']
  • Chemical System: H-O-Ti
  • Density: 3.4937824802504127
  • Atomic Density: 0.09630591861968187
  • Unit Cell Volume: 436.11026821581595
  • Molar Volume: 6.253136719230946
  • Full Formula: Ti11 H7 O24
  • Reduced Formula: Ti11H7O24
  • Formula Anonymous: A7B11C24
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -348.20433052999994
  • Final energy per atom: -8.290579298333332
  • 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.