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  1. Third-Parties
  2. MatprojStructure
  3. mp-731924

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-731924
  • 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: 56
  • Number of elements: 5
  • Element list: ['V', 'P', 'H', 'N', 'O']
  • Chemical System: H-N-O-P-V
  • Density: 2.1474496475541502
  • Atomic Density: 0.09192384153268948
  • Unit Cell Volume: 609.1999536386387
  • Molar Volume: 6.55122834249528
  • Full Formula: V4 P4 H20 N4 O24
  • Reduced Formula: VPH5NO6
  • Formula Anonymous: ABCD5E6
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -372.5225044600001
  • Final energy per atom: -6.652187579642859
  • 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.