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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223058

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-1223058
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 6
  • Element list: ['Mg', 'Co', 'B', 'P', 'H', 'O']
  • Chemical System: B-Co-H-Mg-O-P
  • Density: 2.252064681251642
  • Atomic Density: 0.10602284606107443
  • Unit Cell Volume: 980.9206587426528
  • Molar Volume: 5.680040655134788
  • Full Formula: Mg3 Co1 B8 P8 H32 O52
  • Reduced Formula: Mg3CoB8P8(H8O13)4
  • Formula Anonymous: AB3C8D8E32F52
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -691.98105216
  • Final energy per atom: -6.653663963076923
  • 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.