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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178781

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-1178781
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['Zn', 'P', 'O']
  • Chemical System: O-P-Zn
  • Density: 1.8630528575955987
  • Atomic Density: 0.04911326201906163
  • Unit Cell Volume: 855.1661663951203
  • Molar Volume: 12.261740541002373
  • Full Formula: Zn4 P6 O32
  • Reduced Formula: Zn2P3O16
  • Formula Anonymous: A2B3C16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -251.21011697
  • Final energy per atom: -5.981193261190477
  • 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.