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  1. Third-Parties
  2. MatprojStructure
  3. mp-561324

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-561324
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 5
  • Element list: ['V', 'P', 'N', 'Cl', 'O']
  • Chemical System: Cl-N-O-P-V
  • Density: 1.862582819344731
  • Atomic Density: 0.03382439500320017
  • Unit Cell Volume: 3547.7352954471658
  • Molar Volume: 17.80413444033585
  • Full Formula: V8 P16 N8 Cl80 O8
  • Reduced Formula: VP2NCl10O
  • Formula Anonymous: ABCD2E10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -565.669271
  • Final energy per atom: -4.713910591666666
  • 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.