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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101303

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-1101303
  • 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: 4
  • Element list: ['Ti', 'Cr', 'P', 'O']
  • Chemical System: Cr-O-P-Ti
  • Density: 3.096836612558005
  • Atomic Density: 0.07759090699160213
  • Unit Cell Volume: 463.9718930453587
  • Molar Volume: 7.761400135007819
  • Full Formula: Ti4 Cr2 P6 O24
  • Reduced Formula: Ti2Cr(PO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -305.16491049
  • Final energy per atom: -8.476803069166667
  • 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.