Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 401-594 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 200
10
25
50
100
200
↓
ID
✕
Magnetic moment
✕
plane_index
✕
ads_E
✕
ads_site
✕
401
0.000
100
-5.472
1f
402
-0.000
100
-6.254
1f
403
-0.000
100
-4.599
1f
404
0.000
100
-5.385
1f
405
-0.000
100
-4.264
1f
406
0.000
100
0.022
1f
407
0.000
100
-1.789
1f
408
0.000
100
-1.648
1f
409
0.000
100
-3.383
1f
410
0.000
100
-4.613
1f
411
0.000
100
-4.467
1f
412
0.000
100
-5.035
1f
413
0.000
100
-3.478
1f
414
-0.000
100
0.020
1f
415
0.000
100
-1.807
0t
416
0.000
100
0.026
0t
417
-0.000
100
-1.935
0t
418
0.000
100
-1.588
0t
419
-0.000
100
-2.910
0t
420
0.000
100
-3.129
0t
421
-0.000
100
-1.683
0t
422
-0.000
100
-3.336
0t
423
-0.000
100
-3.866
0t
424
0.000
100
0.022
0t
425
-0.000
100
-1.622
0t
426
-0.000
100
-1.176
0t
427
-0.000
100
-2.620
0t
428
-0.000
100
-3.227
0t
429
-0.000
100
-2.572
0t
430
-0.000
100
-3.243
0t
431
0.000
100
-3.050
0t
432
0.000
100
0.020
0t
433
-0.000
100
-2.300
2b
434
-0.000
100
0.026
2b
435
-0.000
100
-2.057
2b
436
-0.000
100
-2.058
2b
437
-0.000
100
-3.771
2b
438
-0.000
100
-4.389
2b
439
0.000
100
-3.143
2b
440
0.000
100
-4.558
2b
441
-0.000
100
-4.292
2b
442
-0.000
100
0.022
2b
443
0.000
100
-1.697
2b
444
0.000
100
-1.365
2b
445
-0.000
100
-2.893
2b
446
-0.000
100
-3.756
2b
447
-0.000
100
-3.368
2b
448
-0.000
100
-4.102
2b
449
-0.000
100
-3.397
2b
450
-0.000
100
0.021
2b
451
-0.000
110
-2.204
2f
452
-0.000
110
-0.042
2f
453
-0.000
110
-2.422
2f
454
0.000
110
-3.294
2f
455
-0.000
110
-5.359
2f
456
-0.000
110
-5.870
2f
457
0.000
110
-4.147
2f
458
0.000
110
-4.973
2f
459
0.000
110
-4.078
2f
460
-0.000
110
-0.046
2f
461
-0.000
110
-1.964
2f
462
-0.000
110
-1.982
2f
463
-0.000
110
-3.772
2f
464
-0.000
110
-4.927
2f
465
-0.000
110
-4.587
2f
466
0.000
110
-4.939
2f
467
-0.000
110
-3.364
2f
468
0.000
110
-0.041
2f
469
0.000
110
-2.449
3b
470
-0.000
110
-0.043
3b
471
0.000
110
-1.878
3b
472
0.000
110
-1.807
3b
473
0.000
110
-3.632
3b
474
-0.000
110
-5.663
3b
475
-0.000
110
-3.160
3b
476
0.000
110
-4.736
3b
477
0.000
110
-4.529
3b
478
-0.000
110
-0.045
3b
479
-0.000
110
-1.591
3b
480
-0.000
110
-1.126
3b
481
0.000
110
-2.578
3b
482
0.000
110
-3.371
3b
483
-0.000
110
-3.109
3b
484
0.000
110
-4.158
3b
485
0.000
110
-3.657
3b
486
-0.000
110
-0.038
3b
487
-0.000
110
-2.401
1b
488
-0.000
110
-0.043
1b
489
-0.000
110
-2.330
1b
490
0.000
110
-3.075
1b
491
0.000
110
-5.048
1b
492
0.000
110
-5.556
1b
493
0.000
110
-3.937
1b
494
-0.000
110
-4.906
1b
495
-0.000
110
-4.275
1b
496
0.000
110
-0.046
1b
497
-0.000
110
-1.908
1b
498
0.000
110
-1.829
1b
499
-0.000
110
-3.511
1b
500
0.000
110
-4.557
1b
501
0.000
110
-4.158
1b
502
0.000
110
-4.563
1b
503
0.000
110
-3.480
1b
504
0.000
110
-0.043
1b
505
-0.000
110
-1.905
0t
506
0.000
110
-0.029
0t
507
-0.000
110
-1.785
0t
508
-0.000
110
-1.340
0t
509
-0.000
110
-2.695
0t
510
-0.000
110
-2.924
0t
511
-0.006
110
-1.624
0t
512
0.000
110
-3.458
0t
513
0.000
110
-4.073
0t
514
-0.000
110
-0.032
0t
515
-0.000
110
-1.541
0t
516
-0.000
110
-0.965
0t
517
-0.000
110
-2.343
0t
518
-0.000
110
-2.880
0t
519
-0.000
110
-2.325
0t
520
-0.000
110
-3.255
0t
521
-0.000
110
-3.237
0t
522
0.000
110
-0.028
0t
523
-0.000
111
-2.559
2h
524
-0.000
111
-0.002
2h
525
0.000
111
-2.334
2h
526
0.000
111
-2.619
2h
527
-0.000
111
-4.490
2h
528
-0.000
111
-5.211
2h
529
-0.000
111
-3.932
2h
530
-0.000
111
-5.095
2h
531
0.000
111
-4.237
2h
532
-0.000
111
-0.008
2h
533
0.000
111
-1.954
2h
534
-0.000
111
-1.709
2h
535
-0.000
111
-3.201
2h
536
-0.000
111
-4.137
2h
537
-0.000
111
-3.854
2h
538
-0.000
111
-4.558
2h
539
-0.000
111
-3.399
2h
540
0.000
111
-0.007
2h
541
-0.000
111
-2.558
3h
542
-0.000
111
-0.003
3h
543
0.000
111
-2.332
3h
544
0.000
111
-2.613
3h
545
0.000
111
-4.474
3h
546
-0.000
111
-5.168
3h
547
0.000
111
-3.847
3h
548
0.000
111
-5.003
3h
549
0.000
111
-4.205
3h
550
0.000
111
-0.008
3h
551
-0.000
111
-1.954
3h
552
-0.000
111
-1.707
3h
553
0.000
111
-3.184
3h
554
0.000
111
-4.102
3h
555
0.000
111
-3.815
3h
556
0.000
111
-4.518
3h
557
-0.000
111
-3.393
3h
558
0.000
111
-0.008
3h
559
-0.000
111
-2.559
1b
560
0.000
111
-0.003
1b
561
0.000
111
-2.322
1b
562
-0.000
111
-2.589
1b
563
0.000
111
-4.498
1b
564
0.000
111
-5.161
1b
565
-0.000
111
-3.931
1b
566
-0.000
111
-5.094
1b
567
0.000
111
-4.236
1b
568
0.000
111
-0.008
1b
569
-0.000
111
-1.948
1b
570
0.000
111
-1.691
1b
571
0.000
111
-3.201
1b
572
-0.000
111
-4.137
1b
573
-0.000
111
-3.853
1b
574
-0.000
111
-4.557
1b
575
0.000
111
-3.318
1b
576
-0.000
111
-0.009
1b
577
-0.000
111
-1.923
0t
578
0.000
111
-0.003
0t
579
-0.000
111
-2.222
0t
580
0.000
111
-1.956
0t
581
0.000
111
-3.063
0t
582
-0.000
111
-3.219
0t
583
0.005
111
-1.739
0t
584
0.000
111
-3.329
0t
585
0.000
111
-3.771
0t
586
-0.000
111
-0.007
0t
587
0.000
111
-1.898
0t
588
0.000
111
-1.504
0t
589
-0.000
111
-2.799
0t
590
-0.000
111
-3.467
0t
591
-0.000
111
-2.813
0t
592
-0.000
111
-3.363
0t
593
-0.000
111
-2.991
0t
594
-0.000
111
-0.007
0t
«
1
2
3
»