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  1. Third-Parties
  2. MatprojStructure
  3. mp-720533

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-720533
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 114
  • Number of elements: 6
  • Element list: ['Na', 'Li', 'Ti', 'Cr', 'P', 'O']
  • Chemical System: Cr-Li-Na-O-P-Ti
  • Density: 2.9015289228221284
  • Atomic Density: 0.08217516952365049
  • Unit Cell Volume: 1387.2803750917744
  • Molar Volume: 7.3284190284107575
  • Full Formula: Na2 Li10 Ti6 Cr6 P18 O72
  • Reduced Formula: NaLi5Ti3Cr3(PO4)9
  • Formula Anonymous: AB3C3D5E9F36
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -897.69419797
  • Final energy per atom: -7.874510508508772
  • 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.