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  1. Third-Parties
  2. MatprojStructure
  3. mp-21403

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-21403
  • 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: 11
  • Number of elements: 4
  • Element list: ['Co', 'Cu', 'P', 'O']
  • Chemical System: Co-Cu-O-P
  • Density: 3.9570745552323636
  • Atomic Density: 0.0884314257359939
  • Unit Cell Volume: 124.39016908807695
  • Molar Volume: 6.809955521896366
  • Full Formula: Co1 Cu1 P2 O7
  • Reduced Formula: CoCuP2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -80.06840673
  • Final energy per atom: -7.278946066363637
  • 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.