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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201346

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-1201346
  • 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: 53
  • Number of elements: 6
  • Element list: ['Na', 'U', 'Fe', 'H', 'C', 'O']
  • Chemical System: C-Fe-H-Na-O-U
  • Density: 3.2052539798026154
  • Atomic Density: 0.08684058484259054
  • Unit Cell Volume: 610.3137155981751
  • Molar Volume: 6.934707741680789
  • Full Formula: Na2 U2 Fe1 H8 C12 O28
  • Reduced Formula: Na2U2FeH8(C3O7)4
  • Formula Anonymous: AB2C2D8E12F28
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -403.88611092
  • Final energy per atom: -7.620492658867925
  • 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.