Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1197937

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-1197937
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 212
  • Number of elements: 4
  • Element list: ['H', 'Rh', 'N', 'O']
  • Chemical System: H-N-O-Rh
  • Density: 2.1515910797845863
  • Atomic Density: 0.10762574397130815
  • Unit Cell Volume: 1969.7889387553676
  • Molar Volume: 5.595446347488605
  • Full Formula: H96 Rh8 N48 O60
  • Reduced Formula: H24Rh2(N4O5)3
  • Formula Anonymous: A2B12C15D24
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1187.6233809100002
  • Final energy per atom: -5.601997079764152
  • 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.