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  1. Third-Parties
  2. MatprojStructure
  3. mp-684108

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-684108
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'P', 'O']
  • Chemical System: Li-O-P-Ti
  • Density: 2.485636769648119
  • Atomic Density: 0.07540013381151986
  • Unit Cell Volume: 610.0784928974753
  • Molar Volume: 7.986909910602731
  • Full Formula: Li4 Ti2 P10 O30
  • Reduced Formula: Li2Ti(PO3)5
  • Formula Anonymous: AB2C5D15
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -350.53797055
  • Final energy per atom: -7.620390664130435
  • 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.