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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079076

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-1079076
  • 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: 8
  • Number of elements: 3
  • Element list: ['Hf', 'Pb', 'C']
  • Chemical System: C-Hf-Pb
  • Density: 13.18613784759003
  • Atomic Density: 0.05512673371950818
  • Unit Cell Volume: 145.1201524237771
  • Molar Volume: 10.924174812608012
  • Full Formula: Hf4 Pb2 C2
  • Reduced Formula: Hf2PbC
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -70.74664481
  • Final energy per atom: -8.84333060125
  • 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.