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  1. Third-Parties
  2. MatprojStructure
  3. mp-1029730

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-1029730
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ca', 'Hf', 'N']
  • Chemical System: Ca-Hf-N
  • Density: 4.266638418321677
  • Atomic Density: 0.0585693531536521
  • Unit Cell Volume: 307.3279630181063
  • Molar Volume: 10.28206807099506
  • Full Formula: Ca8 Hf2 N8
  • Reduced Formula: Ca4HfN4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -126.49635412
  • Final energy per atom: -7.027575228888889
  • 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.