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  1. Third-Parties
  2. MatprojStructure
  3. mp-866691

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-866691
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['La', 'P', 'C']
  • Chemical System: C-La-P
  • Density: 5.931353933961685
  • Atomic Density: 0.044538603829541036
  • Unit Cell Volume: 718.4778427826564
  • Molar Volume: 13.52117094430721
  • Full Formula: La16 P8 C8
  • Reduced Formula: La2PC
  • Formula Anonymous: ABC2
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -223.96852756
  • Final energy per atom: -6.99901648625
  • 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.