Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1202403

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-1202403
  • 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: 53
  • Number of elements: 6
  • Element list: ['Na', 'U', 'Zn', 'H', 'C', 'O']
  • Chemical System: C-H-Na-O-U-Zn
  • Density: 3.2320834477306644
  • Atomic Density: 0.08686229382894144
  • Unit Cell Volume: 610.1611834517437
  • Molar Volume: 6.932974590631289
  • Full Formula: Na2 U2 Zn1 H8 C12 O28
  • Reduced Formula: Na2U2ZnH8(C3O7)4
  • Formula Anonymous: AB2C2D8E12F28
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -396.83423048
  • Final energy per atom: -7.4874383109433955
  • 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.