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  1. Third-Parties
  2. MatprojStructure
  3. mp-720999

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-720999
  • 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: 106
  • Number of elements: 6
  • Element list: ['Ca', 'Mg', 'U', 'H', 'C', 'O']
  • Chemical System: C-Ca-H-Mg-O-U
  • Density: 2.28528751899079
  • Atomic Density: 0.09983334109473138
  • Unit Cell Volume: 1061.769533480975
  • Molar Volume: 6.03219394839808
  • Full Formula: Ca2 Mg2 U2 H48 C6 O46
  • Reduced Formula: CaMgUH24C3O23
  • Formula Anonymous: ABCD3E23F24
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -656.75060175
  • Final energy per atom: -6.195760393867924
  • 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.