Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-557650

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-557650
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['Sr', 'P', 'N', 'O']
  • Chemical System: N-O-P-Sr
  • Density: 3.7971353150292186
  • Atomic Density: 0.0800816532279724
  • Unit Cell Volume: 287.20685791194603
  • Molar Volume: 7.520000546013298
  • Full Formula: Sr3 P6 N8 O6
  • Reduced Formula: Sr3P6(N4O3)2
  • Formula Anonymous: A3B6C6D8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -177.25388252
  • Final energy per atom: -7.7066905443478255
  • 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.