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  1. Third-Parties
  2. MatprojStructure
  3. mp-1041999

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-1041999
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Ca', 'Co', 'P', 'O']
  • Chemical System: Ca-Co-O-P
  • Density: 3.3300459896963526
  • Atomic Density: 0.0808171498474832
  • Unit Cell Volume: 544.4388979695037
  • Molar Volume: 7.451562906344614
  • Full Formula: Ca4 Co4 P8 O28
  • Reduced Formula: CaCoP2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -338.24962543000004
  • Final energy per atom: -7.687491487045455
  • 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.