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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208222

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-1208222
  • 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: 40
  • Number of elements: 3
  • Element list: ['Ti', 'Cu', 'P']
  • Chemical System: Cu-P-Ti
  • Density: 4.664087650958749
  • Atomic Density: 0.06704545711002965
  • Unit Cell Volume: 596.6101466704179
  • Molar Volume: 8.982175705233754
  • Full Formula: Ti22 Cu2 P16
  • Reduced Formula: Ti11CuP8
  • Formula Anonymous: AB8C11
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -312.78663093
  • Final energy per atom: -7.81966577325
  • 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.