Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-560541

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-560541
  • 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: 54
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Nb', 'P', 'O']
  • Chemical System: K-Na-Nb-O-P
  • Density: 3.6736116441889637
  • Atomic Density: 0.07265076537304797
  • Unit Cell Volume: 743.2819148252628
  • Molar Volume: 8.28916354711123
  • Full Formula: K3 Na3 Nb8 P5 O35
  • Reduced Formula: K3Na3Nb8(PO7)5
  • Formula Anonymous: A3B3C5D8E35
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -445.20471769
  • Final energy per atom: -8.244531809074074
  • 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.