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{
"id": "jvasp-598",
"created_at": "2022-09-04T14:36:51.542932Z",
"updated_at": "2022-09-04T14:36:51.542959Z",
"structure_string": "Cr1 S2\n1.0\n6.719928 -0.246236 -0.145841\n6.124787 2.775796 -0.145841\n6.124787 1.206178 2.504285\nCr S\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.591216 0.591216 0.591218 S\n0.408783 0.408783 0.408784 S\n",
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{
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"structure_string": "Br1 Cl1 O1\n1.0\n4.392251 -0.000000 -0.000000\n-2.196125 3.803801 0.000000\n0.000000 0.000000 3.608165\nBr Cl O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Br\n0.333332 0.666667 0.000000 Cl\n0.666666 0.333333 0.000000 O\n",
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{
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"structure_string": "Ba1 Sn1 S1\n1.0\n3.930282 0.000000 -0.000000\n0.000000 3.930282 0.000000\n0.000000 0.000000 8.558182\nBa Sn S\n1 1 1\ndirect\n0.000000 0.000000 0.000975 Ba\n0.000000 0.000000 0.601212 Sn\n0.000000 0.000000 0.329567 S\n",
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{
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"structure_string": "Al10 H2 O16\n1.0\n5.628450 -0.000000 -0.000000\n-2.814225 4.874424 0.000000\n-0.000000 0.000001 8.827760\nAl H O\n10 2 16\ndirect\n0.834308 0.165676 0.865668 Al\n0.666666 0.333332 0.547733 Al\n0.666673 0.333344 0.158679 Al\n0.333328 0.666655 0.658679 Al\n0.668632 0.834323 0.365669 Al\n0.333334 0.666667 0.047733 Al\n0.165693 0.834323 0.365669 Al\n0.331368 0.165675 0.865668 Al\n0.834308 0.668615 0.865671 Al\n0.165692 0.331384 0.365672 Al\n-0.000006 -0.000013 0.597771 H\n0.000006 0.000012 0.097771 H\n0.668181 0.834080 0.762644 O\n0.834104 0.668206 0.262636 O\n0.834100 0.165920 0.262644 O\n0.331820 0.165920 0.262644 O\n0.165897 0.331793 0.762637 O\n0.165900 0.834080 0.762644 O\n0.970995 0.485491 0.000977 O\n-0.000002 -0.000004 0.985262 O\n0.514497 0.485491 0.000977 O\n0.029006 0.514508 0.500977 O\n0.485498 0.970995 0.500978 O\n0.485503 0.514508 0.500977 O\n0.666662 0.333324 0.754739 O\n0.000002 0.000004 0.485262 O\n0.514502 0.029004 0.000978 O\n0.333338 0.666675 0.254738 O\n",
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"formula_full": "Al10 H2 O16",
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{
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"created_at": "2022-09-04T14:35:47.153020Z",
"updated_at": "2022-09-04T14:35:47.153036Z",
"structure_string": "Li3 Sb1 P2 O8\n1.0\n5.146346 -0.012365 0.013312\n1.992728 4.745469 0.014592\n0.163971 0.104951 6.242047\nLi Sb P O\n3 1 2 8\ndirect\n0.350793 0.820997 0.295760 Li\n0.969225 0.532279 0.500914 Li\n0.680959 0.150309 0.706228 Li\n0.011715 0.489778 0.000975 Sb\n0.355912 0.853759 0.760855 P\n0.647662 0.145650 0.241161 P\n0.749950 0.278604 0.417813 O\n0.742001 0.216468 0.014996 O\n0.682572 0.750255 0.731002 O\n0.251855 0.186715 0.750314 O\n0.750999 0.819044 0.270961 O\n0.314650 0.249891 0.251753 O\n0.284992 0.759508 0.987010 O\n0.222799 0.751642 0.584203 O\n",
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{
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"structure_string": "Sr2 N1 O6\n1.0\n0.000000 0.000000 -3.627000\n-3.227566 -5.590308 0.000000\n-3.227438 5.590235 0.000000\nSr N O\n2 1 6\ndirect\n0.000000 0.333322 0.666666 Sr\n0.000000 0.666657 0.333334 Sr\n0.000000 -0.000012 -0.000000 N\n0.000000 0.803913 0.000000 O\n0.000000 0.196066 0.196079 O\n0.000000 -0.000013 0.803921 O\n0.500000 0.466355 0.000000 O\n0.500000 0.533627 0.533637 O\n0.500000 0.999990 0.466363 O\n",
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{
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"created_at": "2022-09-04T14:36:45.029316Z",
"updated_at": "2022-09-04T14:36:45.029343Z",
"structure_string": "Ca2 Ti6 N2 O11\n1.0\n3.760512 -0.008709 0.002924\n-1.861929 7.436821 0.007159\n-0.012383 -1.846772 9.376851\nCa Ti N O\n2 6 2 11\ndirect\n0.550883 0.102997 0.732557 Ca\n0.467694 0.936118 0.195275 Ca\n0.126835 0.254807 0.069120 Ti\n0.158974 0.319046 0.434588 Ti\n0.236338 0.473827 0.748754 Ti\n0.776447 0.554202 0.244607 Ti\n0.835046 0.671495 0.570780 Ti\n0.888549 0.778300 0.893836 Ti\n0.293496 0.588297 0.587140 N\n0.937122 0.875577 0.727796 N\n0.846111 0.693535 0.114741 O\n0.355740 0.712676 0.900191 O\n0.238095 0.477458 0.243953 O\n0.751370 0.503901 0.771107 O\n0.055820 0.112499 0.302418 O\n0.640720 0.282595 0.113205 O\n0.143111 0.287325 0.887560 O\n0.116926 0.234866 0.609613 O\n0.876278 0.754497 0.400196 O\n0.696265 0.393684 0.425689 O\n0.000107 0.001372 0.026753 O\n",
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{
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"created_at": "2022-09-04T14:37:07.063238Z",
"updated_at": "2022-09-04T14:37:07.063260Z",
"structure_string": "P4 Br20\n1.0\n5.630596 0.000000 0.000000\n-0.000000 8.139671 0.000000\n0.000000 0.000000 17.237741\nP Br\n4 20\ndirect\n0.037017 0.750000 0.638223 P\n0.037017 0.250000 0.861777 P\n0.962984 0.250000 0.361777 P\n0.962984 0.750000 0.138223 P\n0.789046 0.250000 0.959942 Br\n0.789046 0.750000 0.540058 Br\n0.610653 0.750000 0.908820 Br\n0.610653 0.250000 0.591180 Br\n0.389347 0.250000 0.091180 Br\n0.389347 0.750000 0.408820 Br\n0.732666 0.469856 0.370080 Br\n0.732666 0.530144 0.129920 Br\n0.267335 0.969856 0.629920 Br\n0.267335 0.530144 0.629920 Br\n0.210954 0.250000 0.459942 Br\n0.267335 0.469856 0.870080 Br\n0.732666 0.030144 0.370080 Br\n0.732666 0.969856 0.129920 Br\n0.834675 0.750000 0.749007 Br\n0.834675 0.250000 0.750993 Br\n0.165326 0.250000 0.250993 Br\n0.165326 0.750000 0.249007 Br\n0.267335 0.030144 0.870080 Br\n0.210954 0.750000 0.040058 Br\n",
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{
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"created_at": "2022-09-04T14:38:17.919862Z",
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"structure_string": "Ca2 Sn2 S6\n1.0\n-3.547179 6.143943 -0.000009\n-7.094404 -0.000016 -0.000002\n-3.547192 2.047982 5.367534\nCa Sn S\n2 2 6\ndirect\n0.749999 0.750001 0.749997 Ca\n0.250001 0.250001 0.249998 Ca\n0.500000 0.500000 0.499999 Sn\n0.000000 -0.000000 -0.000000 Sn\n0.749999 0.361721 0.750000 S\n0.361722 0.138278 0.750003 S\n0.138278 0.749999 0.750002 S\n0.638277 0.861722 0.250004 S\n0.861721 0.249999 0.250001 S\n0.250000 0.638278 0.250000 S\n",
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"structure_string": "Na2 Ag1 Au1 Cl6\n1.0\n6.192582 -0.000000 3.575289\n2.064194 5.838422 3.575289\n-0.000000 -0.000000 7.150578\nNa Ag Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Au\n0.751337 0.248662 0.248663 Cl\n0.248662 0.248662 0.751338 Cl\n0.248662 0.751337 0.751339 Cl\n0.248662 0.751337 0.248663 Cl\n0.751337 0.248662 0.751338 Cl\n0.751337 0.751337 0.248663 Cl\n",
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{
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"structure_string": "Na2 Al2 Mo4 O16\n1.0\n5.300361 0.000000 0.000000\n-2.650181 4.848842 -0.018852\n0.000000 -0.048472 13.203928\nNa Al Mo O\n2 2 4 16\ndirect\n0.921382 0.000000 0.750000 Na\n0.078618 0.000000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.637989 0.344560 0.621956 Mo\n0.362011 0.655440 0.378044 Mo\n0.706571 0.344560 0.121956 Mo\n0.293429 0.655440 0.878044 Mo\n0.250777 0.144196 0.613866 O\n0.609292 0.815664 0.953175 O\n0.929151 0.692354 0.080152 O\n0.252222 0.658656 0.254610 O\n0.236796 0.307645 0.419848 O\n0.406434 0.658656 0.754610 O\n0.749223 0.855804 0.386135 O\n0.070849 0.307646 0.919848 O\n0.106581 0.855804 0.886135 O\n0.206372 0.815663 0.453174 O\n0.893419 0.144196 0.113866 O\n0.390708 0.184336 0.046826 O\n0.793628 0.184337 0.546826 O\n0.747778 0.341344 0.745390 O\n0.593566 0.341344 0.245390 O\n0.763203 0.692355 0.580152 O\n",
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{
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}