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  1. Third-Parties
  2. MatprojStructure
  3. mp-1095646

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-1095646
  • 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: 12
  • Number of elements: 2
  • Element list: ['H', 'W']
  • Chemical System: H-W
  • Density: 9.252401999529013
  • Atomic Density: 0.17699922404109458
  • Unit Cell Volume: 67.79690738764998
  • Molar Volume: 3.402354328175934
  • Full Formula: H10 W2
  • Reduced Formula: H5W
  • Formula Anonymous: AB5
  • Spacegroup Number: 28
  • Spacegroup Symbol: Pma2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -57.42754354
  • Final energy per atom: -4.785628628333334
  • 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.