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  1. Third-Parties
  2. MatprojStructure
  3. mp-1043770

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-1043770
  • 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: 36
  • Number of elements: 5
  • Element list: ['Mg', 'Ti', 'Cu', 'P', 'O']
  • Chemical System: Cu-Mg-O-P-Ti
  • Density: 3.1693447285366236
  • Atomic Density: 0.08167525323271037
  • Unit Cell Volume: 440.7699832583103
  • Molar Volume: 7.3732746721233005
  • Full Formula: Mg2 Ti2 Cu2 P6 O24
  • Reduced Formula: MgTiCu(PO4)3
  • Formula Anonymous: ABCD3E12
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -272.95264448
  • Final energy per atom: -7.582017902222223
  • 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.