ASE database

Displaying rows 301-400 out of 594
↓ ID ✕ Formula ✕ Dipole_val ✕ atom_E ✕ PBC ✕ str_E ✕
301 Ag72Al -0.564 -0.295 TTT -186.167
302 Ag72Si 0.739 -0.830 TTT -187.205
303 Ag72P 1.822 -1.888 TTT -187.772
304 Ag72S 2.638 -0.945 TTT -187.928
305 Ag72Cl 2.310 -0.243 TTT -187.145
306 Ag72Ar -0.101 -0.025 TTT -183.656
307 Ag72H 1.064 -1.117 TTT -186.368
308 Ag72He -0.030 0.002 TTT -183.632
309 Ag72Li -4.506 -0.299 TTT -185.437
310 Ag72Be -0.563 -0.039 TTT -184.687
311 Ag72B 0.753 -0.349 TTT -186.083
312 Ag72C 1.741 -1.248 TTT -186.792
313 Ag72N 2.596 -3.124 TTT -187.242
314 Ag72O 3.334 -1.533 TTT -187.655
315 Ag72F 3.544 -0.424 TTT -187.652
316 Ag72Ne -0.024 -0.013 TTT -183.652
317 Ag72Na -5.297 -0.225 TTT -185.163
318 Ag72Mg -2.114 -0.004 TTT -184.375
319 Ag72Al -1.111 -0.295 TTT -185.865
320 Ag72Si 0.492 -0.830 TTT -186.574
321 Ag72P 2.057 -1.888 TTT -186.895
322 Ag72S 3.079 -0.945 TTT -187.092
323 Ag72Cl 3.496 -0.243 TTT -186.770
324 Ag72Ar -0.103 -0.025 TTT -183.665
325 Ag45H -0.013 -1.120 TTT -119.526
326 Ag45He -0.023 0.002 TTT -116.344
327 Ag45Li -3.187 -0.299 TTT -118.598
328 Ag45Be -0.505 -0.039 TTT -118.330
329 Ag45B 0.380 -0.349 TTT -120.031
330 Ag45C 0.626 -1.250 TTT -121.073
331 Ag45N 0.956 -3.120 TTT -121.538
332 Ag45O 1.151 -1.530 TTT -121.609
333 Ag45F 1.191 -0.424 TTT -120.634
334 Ag45Ne -0.010 -0.013 TTT -116.365
335 Ag45Na -4.251 -0.225 TTT -118.216
336 Ag45Mg -2.262 -0.004 TTT -117.532
337 Ag45Al -0.599 -0.295 TTT -119.166
338 Ag45Si 0.279 -0.830 TTT -120.343
339 Ag45P 1.036 -1.890 TTT -120.991
340 Ag45S 1.333 -0.945 TTT -120.915
341 Ag45Cl 1.184 -0.243 TTT -119.633
342 Ag45Ar -0.027 -0.025 TTT -116.379
343 Ag45H -0.019 -1.117 TTT -119.530
344 Ag45He -0.021 0.002 TTT -116.344
345 Ag45Li -3.171 -0.299 TTT -118.598
346 Ag45Be -0.492 -0.039 TTT -118.336
347 Ag45B 0.440 -0.349 TTT -120.044
348 Ag45C 0.682 -1.248 TTT -121.142
349 Ag45N 0.931 -3.124 TTT -121.644
350 Ag45O 1.077 -1.533 TTT -121.703
351 Ag45F 1.110 -0.424 TTT -120.657
352 Ag45Ne -0.009 -0.013 TTT -116.365
353 Ag45Na -4.252 -0.225 TTT -118.215
354 Ag45Mg -2.246 -0.004 TTT -117.535
355 Ag45Al -0.592 -0.295 TTT -119.187
356 Ag45Si 0.270 -0.830 TTT -120.388
357 Ag45P 1.001 -1.888 TTT -121.048
358 Ag45S 1.277 -0.945 TTT -120.967
359 Ag45Cl 1.132 -0.243 TTT -119.638
360 Ag45Ar -0.051 -0.025 TTT -116.377
361 Ag45H 0.067 -1.120 TTT -119.410
362 Ag45He -0.023 0.002 TTT -116.339
363 Ag45Li -3.180 -0.299 TTT -118.569
364 Ag45Be -0.427 -0.039 TTT -118.272
365 Ag45B 0.308 -0.349 TTT -119.959
366 Ag45C 0.681 -1.250 TTT -121.132
367 Ag45N 0.936 -3.120 TTT -121.638
368 Ag45O 1.074 -1.530 TTT -121.696
369 Ag45F 1.109 -0.424 TTT -120.651
370 Ag45Ne -0.007 -0.013 TTT -116.357
371 Ag45Na -4.262 -0.225 TTT -118.194
372 Ag45Mg -2.208 -0.004 TTT -117.490
373 Ag45Al -0.587 -0.295 TTT -119.178
374 Ag45Si 0.259 -0.830 TTT -120.379
375 Ag45P 1.000 -1.890 TTT -121.040
376 Ag45S 1.274 -0.945 TTT -120.960
377 Ag45Cl 1.389 -0.243 TTT -119.563
378 Ag45Ar -0.053 -0.025 TTT -116.367
379 Ag45H 0.382 -1.117 TTT -119.014
380 Ag45He -0.012 0.002 TTT -116.340
381 Ag45Li -3.603 -0.299 TTT -118.406
382 Ag45Be -0.770 -0.039 TTT -117.489
383 Ag45B 0.500 -0.349 TTT -118.818
384 Ag45C 1.149 -1.248 TTT -119.535
385 Ag45N 1.751 -3.124 TTT -119.923
386 Ag45O 2.342 -1.533 TTT -120.244
387 Ag45F 2.574 -0.424 TTT -120.151
388 Ag45Ne -0.014 -0.013 TTT -116.356
389 Ag45Na -4.477 -0.225 TTT -118.095
390 Ag45Mg -2.119 -0.004 TTT -117.217
391 Ag45Al -0.850 -0.295 TTT -118.749
392 Ag45Si 0.159 -0.830 TTT -119.579
393 Ag45P 1.008 -1.888 TTT -119.881
394 Ag45S 1.914 -0.945 TTT -119.819
395 Ag45Cl 2.419 -0.243 TTT -119.270
396 Ag45Ar -0.098 -0.025 TTT -116.362
397 Cu54H -0.040 -1.117 TTT -194.134
398 Cu54He -0.013 0.002 TTT -190.564
399 Cu54Li -2.989 -0.299 TTT -193.113
400 BeCu54 -0.069 -0.039 TTT -193.566