SAIT_semiconductors Family

10 datasets | 351K total configurations

Overview

Total Downloads

457

Total Configurations

351K

Unique Elements

4

Property Types

3

Methods Used

1

Software Packages

1

Elements Included

4 Elements

Hf N O Si

Calculated Properties

3 Property Types

Energy (10 datasets) Atomic Forces (10 datasets) Cauchy Stress (10 datasets)

Methods

1 Methods

DFT-PBE

Software

1 Software

VASP

Related Families

2 Related Families

Member Datasets

10 Datasets

Format:

	Dataset Name	Downloads	Configurations	Elements	Properties	Links
	SAIT_semiconductors_ACS_2023_HfO_out-of-domain Out-of-domain configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations...	62	6,996	2	3	View DOI
	SAIT_semiconductors_ACS_2023_HfO_raw Structures from the SAIT_semiconductors_ACS_2023_HfO dataset, separated into crystal, out-of-domain, and random (generat...	71	191,973	2	3	View DOI
	SAIT_semiconductors_ACS_2023_HfO_test Test configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from the...	35	3,510	2	3	View DOI
	SAIT_semiconductors_ACS_2023_HfO_train Training configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations from...	37	27,958	2	3	View DOI
	SAIT_semiconductors_ACS_2023_HfO_validation Validation configurations from the SAIT_semiconductors_ACS_2023_HfO dataset. This dataset contains HfO configurations fr...	31	3,510	2	3	View DOI
	SAIT_semiconductors_ACS_2023_SiN_out-of-domain Out-of-domain configurations from the SAIT_semiconductors_ACS_2023_SiN dataset. This dataset contains SiN, Si and N conf...	38	1,234	2	3	View DOI
	SAIT_semiconductors_ACS_2023_SiN_raw Structures from the SAIT_semiconductors_ACS_2023_SiN dataset, separated into N-only, Si-only, SiN, and out-of-domain mel...	41	88,111	2	3	View DOI
	SAIT_semiconductors_ACS_2023_SiN_test Test configurations from the SAIT_semiconductors_ACS_2023_SiN dataset. This dataset contains SiN, Si and N configuration...	35	2,866	2	3	View DOI
	SAIT_semiconductors_ACS_2023_SiN_train Training configurations from the SAIT_semiconductors_ACS_2023_SiN dataset. This dataset contains SiN, Si and N configura...	60	22,494	2	3	View DOI
	SAIT_semiconductors_ACS_2023_SiN_validation Validation configurations from the SAIT_semiconductors_ACS_2023_SiN dataset. This dataset contains SiN, Si and N configu...	47	2,822	2	3	View DOI