Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1212266

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-1212266
  • 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: 81
  • Number of elements: 4
  • Element list: ['K', 'Th', 'N', 'O']
  • Chemical System: K-N-O-Th
  • Density: 2.988183184292352
  • Atomic Density: 0.0712146574868231
  • Unit Cell Volume: 1137.4062989067593
  • Molar Volume: 8.456322016453258
  • Full Formula: K6 Th3 N18 O54
  • Reduced Formula: K2Th(NO3)6
  • Formula Anonymous: AB2C6D18
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -562.70025298
  • Final energy per atom: -6.94691670345679
  • 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.