Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1233481

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-1233481
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 4
  • Element list: ['Ca', 'Yb', 'Ti', 'O']
  • Chemical System: Ca-O-Ti-Yb
  • Density: 7.285468301113666
  • Atomic Density: 0.07549449734695028
  • Unit Cell Volume: 225.18197481166143
  • Molar Volume: 7.976926758415291
  • Full Formula: Ca1 Yb4 Ti2 O10
  • Reduced Formula: CaYb4Ti2O10
  • Formula Anonymous: AB2C4D10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -128.74789363
  • Final energy per atom: -7.573405507647059
  • 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.