Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-759946

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-759946
  • 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: 31
  • Number of elements: 2
  • Element list: ['Sc', 'O']
  • Chemical System: O-Sc
  • Density: 4.411340190460114
  • Atomic Density: 0.08584899697604062
  • Unit Cell Volume: 361.09915190566187
  • Molar Volume: 7.014806197072639
  • Full Formula: Sc16 O15
  • Reduced Formula: Sc16O15
  • Formula Anonymous: A15B16
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -273.08274047000003
  • Final energy per atom: -8.809120660322582
  • 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.