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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218677

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-1218677
  • 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: 140
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Zr', 'P', 'O']
  • Chemical System: Ca-O-P-Sr-Zr
  • Density: 3.076009949166505
  • Atomic Density: 0.06570932118431233
  • Unit Cell Volume: 2130.5957431412953
  • Molar Volume: 9.16481961989549
  • Full Formula: Sr1 Ca3 Zr16 P24 O96
  • Reduced Formula: SrCa3Zr16(PO4)24
  • Formula Anonymous: AB3C16D24E96
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -1204.10853865
  • Final energy per atom: -8.600775276071428
  • 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.