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  1. Third-Parties
  2. MatprojStructure
  3. mp-706405

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-706405
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 4
  • Element list: ['Cd', 'P', 'H', 'O']
  • Chemical System: Cd-H-O-P
  • Density: 1.925052906607118
  • Atomic Density: 0.05675663592163592
  • Unit Cell Volume: 1585.717661706788
  • Molar Volume: 10.61046107157371
  • Full Formula: Cd6 P12 H24 O48
  • Reduced Formula: CdP2(HO2)4
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -482.72375122000005
  • Final energy per atom: -5.363597235777778
  • 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.