Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-729903

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-729903
  • 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: 56
  • Number of elements: 5
  • Element list: ['Zn', 'In', 'H', 'O', 'F']
  • Chemical System: F-H-In-O-Zn
  • Density: 2.5118144991443065
  • Atomic Density: 0.10553565899714715
  • Unit Cell Volume: 530.6263355167356
  • Molar Volume: 5.706261577579944
  • Full Formula: Zn2 In2 H28 O14 F10
  • Reduced Formula: ZnInH14O7F5
  • Formula Anonymous: ABC5D7E14
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -283.70401433
  • Final energy per atom: -5.066143113035714
  • 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.