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  1. Third-Parties
  2. MatprojStructure
  3. mp-759001

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-759001
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 5
  • Element list: ['Mg', 'Cu', 'P', 'H', 'O']
  • Chemical System: Cu-H-Mg-O-P
  • Density: 2.7257475790110415
  • Atomic Density: 0.11060853024528076
  • Unit Cell Volume: 596.6990055255342
  • Molar Volume: 5.444553640343613
  • Full Formula: Mg4 Cu4 P4 H24 O30
  • Reduced Formula: Mg2Cu2P2(H4O5)3
  • Formula Anonymous: A2B2C2D12E15
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -392.66494584
  • Final energy per atom: -5.949468876363636
  • 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.