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  1. Third-Parties
  2. MatprojStructure
  3. mp-24599

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-24599
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['H', 'W', 'Se', 'N', 'O']
  • Chemical System: H-N-O-Se-W
  • Density: 4.84235196150515
  • Atomic Density: 0.08831107107283369
  • Unit Cell Volume: 588.8276449179685
  • Molar Volume: 6.819236463606356
  • Full Formula: H16 W6 Se2 N4 O24
  • Reduced Formula: H8W3Se(NO6)2
  • Formula Anonymous: AB2C3D8E12
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -367.43975049
  • Final energy per atom: -7.066149047884616
  • 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.