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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227589

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-1227589
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'O']
  • Chemical System: Ca-O-P
  • Density: 2.9798713554972456
  • Atomic Density: 0.07457406732568779
  • Unit Cell Volume: 549.7889745096032
  • Molar Volume: 8.075381933641177
  • Full Formula: Ca10 P6 O25
  • Reduced Formula: Ca10P6O25
  • Formula Anonymous: A6B10C25
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -312.26562365
  • Final energy per atom: -7.616234723170732
  • 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.