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  1. Third-Parties
  2. MatprojStructure
  3. mp-29020

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-29020
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['P', 'Se', 'O']
  • Chemical System: O-P-Se
  • Density: 2.296700838812847
  • Atomic Density: 0.0509087756325438
  • Unit Cell Volume: 864.2910667816707
  • Molar Volume: 11.829278322204049
  • Full Formula: P16 Se4 O24
  • Reduced Formula: P4SeO6
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -300.41916263
  • Final energy per atom: -6.827708241590909
  • 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.