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  1. Third-Parties
  2. MatprojStructure
  3. mp-757826

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-757826
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Cs', 'Ca', 'N', 'O']
  • Chemical System: Ca-Cs-N-O
  • Density: 2.930238905705469
  • Atomic Density: 0.06241461503053492
  • Unit Cell Volume: 176.24077300834912
  • Molar Volume: 9.648606751886247
  • Full Formula: Cs1 Ca1 N3 O6
  • Reduced Formula: CsCa(NO2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -73.16258633
  • Final energy per atom: -6.651144211818181
  • 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.