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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227253

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-1227253
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Ca', 'U', 'Ti', 'O']
  • Chemical System: Ca-O-Ti-U
  • Density: 5.577332719458496
  • Atomic Density: 0.07949248861420191
  • Unit Cell Volume: 452.8729774044127
  • Molar Volume: 7.575735600915758
  • Full Formula: Ca1 U3 Ti8 O24
  • Reduced Formula: CaU3Ti8O24
  • Formula Anonymous: AB3C8D24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -346.76057013
  • Final energy per atom: -9.632238059166667
  • 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.