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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217479

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-1217479
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Th', 'U', 'H', 'C', 'O']
  • Chemical System: C-H-O-Th-U
  • Density: 3.2567116914138
  • Atomic Density: 0.08334454124829041
  • Unit Cell Volume: 455.9386785367838
  • Molar Volume: 7.225597105465535
  • Full Formula: Th1 U1 H8 C8 O20
  • Reduced Formula: ThUH8(C2O5)4
  • Formula Anonymous: ABC8D8E20
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -287.73652173
  • Final energy per atom: -7.572013729736842
  • 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.