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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195767

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-1195767
  • 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: 42
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'O']
  • Chemical System: Ca-O-P
  • Density: 3.0541483006781367
  • Atomic Density: 0.0770476849375124
  • Unit Cell Volume: 545.1169627492773
  • Molar Volume: 7.816121619856726
  • Full Formula: Ca10 P6 O26
  • Reduced Formula: Ca5P3O13
  • Formula Anonymous: A3B5C13
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -317.42620258000005
  • Final energy per atom: -7.557766728095239
  • 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.