Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-17035

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-17035
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['K', 'Sc', 'P', 'O']
  • Chemical System: K-O-P-Sc
  • Density: 2.8643449466360664
  • Atomic Density: 0.06856821995653375
  • Unit Cell Volume: 612.5286616252299
  • Molar Volume: 8.782699571051298
  • Full Formula: K9 Sc3 P6 O24
  • Reduced Formula: K3Sc(PO4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -304.21943437
  • Final energy per atom: -7.2433198659523805
  • 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.