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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225670

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-1225670
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Cu', 'Si', 'P']
  • Chemical System: Cu-P-Si
  • Density: 3.222008867223602
  • Atomic Density: 0.05475041574148339
  • Unit Cell Volume: 109.58820894311327
  • Molar Volume: 10.99926033152865
  • Full Formula: Cu1 Si2 P3
  • Reduced Formula: CuSi2P3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -31.338515810000004
  • Final energy per atom: -5.223085968333334
  • 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.