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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217600

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-1217600
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 3
  • Element list: ['Ti', 'Cu', 'P']
  • Chemical System: Cu-P-Ti
  • Density: 4.591098650844893
  • Atomic Density: 0.06641049618554057
  • Unit Cell Volume: 1806.9432829524226
  • Molar Volume: 9.068055662729998
  • Full Formula: Ti68 Cu4 P48
  • Reduced Formula: Ti17CuP12
  • Formula Anonymous: AB12C17
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -947.61890497
  • Final energy per atom: -7.896824208083333
  • 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.