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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227829

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-1227829
  • 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: 30
  • Number of elements: 5
  • Element list: ['Ca', 'Mg', 'Co', 'As', 'O']
  • Chemical System: As-Ca-Co-Mg-O
  • Density: 3.5484413169211053
  • Atomic Density: 0.07426530668933293
  • Unit Cell Volume: 403.9571279964705
  • Molar Volume: 8.108955619333608
  • Full Formula: Ca4 Mg1 Co1 As4 O20
  • Reduced Formula: Ca4MgCo(AsO5)4
  • Formula Anonymous: ABC4D4E20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -193.54021646
  • Final energy per atom: -6.451340548666667
  • 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.