Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-6680

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-6680
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Rb', 'Ca', 'Ta', 'O']
  • Chemical System: Ca-O-Rb-Ta
  • Density: 6.062365851477021
  • Atomic Density: 0.0672608709191803
  • Unit Cell Volume: 237.8797625030067
  • Molar Volume: 8.953408835927977
  • Full Formula: Rb1 Ca2 Ta3 O10
  • Reduced Formula: RbCa2Ta3O10
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -143.11915867000002
  • Final energy per atom: -8.944947416875001
  • 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.