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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221168

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-1221168
  • Created at: Sept. 4, 2022, 2:45 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: ['Na', 'Ca', 'P', 'O']
  • Chemical System: Ca-Na-O-P
  • Density: 2.989577825851844
  • Atomic Density: 0.07607860040536964
  • Unit Cell Volume: 1209.2756637187904
  • Molar Volume: 7.915682896257589
  • Full Formula: Na2 Ca20 P14 O56
  • Reduced Formula: NaCa10(PO4)7
  • Formula Anonymous: AB7C10D28
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -697.9975263599999
  • Final energy per atom: -7.586929634347825
  • 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.