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  1. Third-Parties
  2. MatprojStructure
  3. mp-6813

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-6813
  • 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: 92
  • Number of elements: 4
  • Element list: ['K', 'Ca', 'P', 'O']
  • Chemical System: Ca-K-O-P
  • Density: 3.006487489779096
  • Atomic Density: 0.07539325530566768
  • Unit Cell Volume: 1220.2683068532247
  • Molar Volume: 7.987638596561949
  • Full Formula: K2 Ca20 P14 O56
  • Reduced Formula: KCa10(PO4)7
  • Formula Anonymous: AB7C10D28
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -698.27325409
  • Final energy per atom: -7.589926674891305
  • 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.