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  1. Third-Parties
  2. MatprojStructure
  3. mp-1044303

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-1044303
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Mg', 'Ti', 'Cr', 'P', 'O']
  • Chemical System: Cr-Mg-O-P-Ti
  • Density: 3.057643621328615
  • Atomic Density: 0.08102139289501278
  • Unit Cell Volume: 444.3270932980462
  • Molar Volume: 7.432778609229129
  • Full Formula: Mg2 Ti2 Cr2 P6 O24
  • Reduced Formula: MgTiCr(PO4)3
  • Formula Anonymous: ABCD3E12
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -293.88695384
  • Final energy per atom: -8.163526495555555
  • 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.