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  1. Third-Parties
  2. MatprojStructure
  3. mp-754075

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-754075
  • 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: 22
  • Number of elements: 5
  • Element list: ['Li', 'Hf', 'P', 'C', 'O']
  • Chemical System: C-Hf-Li-O-P
  • Density: 3.495800305833466
  • Atomic Density: 0.06802777773445377
  • Unit Cell Volume: 323.39730522841614
  • Molar Volume: 8.852473152228209
  • Full Formula: Li2 Hf2 P2 C2 O14
  • Reduced Formula: LiHfPCO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -184.09138862999995
  • Final energy per atom: -8.367790392272726
  • 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.