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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233576

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-1233576
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 4
  • Element list: ['Ca', 'Y', 'P', 'O']
  • Chemical System: Ca-O-P-Y
  • Density: 3.616333407629352
  • Atomic Density: 0.06993012830432402
  • Unit Cell Volume: 271.6997731981162
  • Molar Volume: 8.611654098205953
  • Full Formula: Ca1 Y3 P3 O12
  • Reduced Formula: CaY3(PO4)3
  • Formula Anonymous: AB3C3D12
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -156.92831098
  • Final energy per atom: -8.259384788421052
  • 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.