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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228780

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-1228780
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 4
  • Element list: ['Ca', 'Mg', 'As', 'O']
  • Chemical System: As-Ca-Mg-O
  • Density: 3.461661101958123
  • Atomic Density: 0.06870858415751778
  • Unit Cell Volume: 1309.8799968526582
  • Molar Volume: 8.764757466394517
  • Full Formula: Ca19 Mg1 As14 O56
  • Reduced Formula: Ca19Mg(AsO4)14
  • Formula Anonymous: AB14C19D56
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -618.31959157
  • Final energy per atom: -6.87021768411111
  • 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.