Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1211727

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-1211727
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['K', 'Rb', 'Yb', 'V', 'O']
  • Chemical System: K-O-Rb-V-Yb
  • Density: 3.7637126347461702
  • Atomic Density: 0.05600569128711421
  • Unit Cell Volume: 249.97459505014842
  • Molar Volume: 10.75272998439995
  • Full Formula: K2 Rb1 Yb1 V2 O8
  • Reduced Formula: K2RbYbV2O8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -97.64018867
  • Final energy per atom: -6.9742991907142855
  • 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.