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  1. Third-Parties
  2. MatprojStructure
  3. mp-29342

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-29342
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'Cl']
  • Chemical System: Ca-Cl-P
  • Density: 2.2935316521388778
  • Atomic Density: 0.03753737182916544
  • Unit Cell Volume: 186.48082321419224
  • Molar Volume: 16.043053806236305
  • Full Formula: Ca3 P1 Cl3
  • Reduced Formula: Ca3PCl3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -32.88825558
  • Final energy per atom: -4.698322225714286
  • 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.