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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215996

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-1215996
  • 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: 23
  • Number of elements: 3
  • Element list: ['Zr', 'P', 'O']
  • Chemical System: O-P-Zr
  • Density: 2.4860398148973926
  • Atomic Density: 0.05954001755496942
  • Unit Cell Volume: 386.29481388321057
  • Molar Volume: 10.114442365489984
  • Full Formula: Zr2 P4 O17
  • Reduced Formula: Zr2P4O17
  • Formula Anonymous: A2B4C17
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -179.01576522
  • Final energy per atom: -7.78329414
  • 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.