Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-722714

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-722714
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Mg', 'Cd', 'H', 'N', 'O']
  • Chemical System: Cd-H-Mg-N-O
  • Density: 2.361958094846488
  • Atomic Density: 0.07973821528053095
  • Unit Cell Volume: 501.64152607722696
  • Molar Volume: 7.552389702745679
  • Full Formula: Mg2 Cd2 H8 N8 O20
  • Reduced Formula: MgCdH4(N2O5)2
  • Formula Anonymous: ABC4D4E10
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -243.18994744000003
  • Final energy per atom: -6.079748686
  • 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.