Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1212536

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-1212536
  • 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: 69
  • Number of elements: 3
  • Element list: ['Ho', 'N', 'O']
  • Chemical System: Ho-N-O
  • Density: 2.3511808484317736
  • Atomic Density: 0.06474768258845573
  • Unit Cell Volume: 1065.6752063015526
  • Molar Volume: 9.300936372159404
  • Full Formula: Ho3 N21 O45
  • Reduced Formula: HoN7O15
  • Formula Anonymous: AB7C15
  • Spacegroup Number: 144
  • Spacegroup Symbol: P3_1
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -448.63658213
  • Final energy per atom: -6.50197945115942
  • 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.