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  1. Third-Parties
  2. MatprojStructure
  3. mp-505610

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-505610
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Ce', 'P', 'H', 'O']
  • Chemical System: Ce-H-O-P
  • Density: 2.531748295839898
  • Atomic Density: 0.08204110226492248
  • Unit Cell Volume: 463.1824652634792
  • Molar Volume: 7.340394745738111
  • Full Formula: Ce2 P6 H16 O14
  • Reduced Formula: CeP3H8O7
  • Formula Anonymous: AB3C7D8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -229.72120271
  • Final energy per atom: -6.0452948081578946
  • 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.