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{
"id": "jvasp-81962",
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"updated_at": "2022-09-04T14:37:16.702946Z",
"structure_string": "Sr2 Tl1 In1\n1.0\n-11.447123 0.000000 -6.609000\n-12.083384 0.023044 7.711037\n-7.854366 11.984515 0.386162\nSr Tl In\n2 1 1\ndirect\n0.751104 -0.000000 0.000000 Sr\n0.248896 -0.000000 0.000000 Sr\n0.500000 -0.000000 0.000000 Tl\n0.000000 0.000000 0.000000 In\n",
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{
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"structure_string": "Sr1 Tl1 Hg2\n1.0\n0.000000 3.833256 3.833256\n3.833256 0.000000 3.833256\n3.833256 3.833256 0.000000\nSr Tl Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Tl\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
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{
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"structure_string": "Sr2 Tl1 Hg1\n1.0\n4.915247 -0.000000 2.837819\n1.638416 4.634139 2.837819\n-0.000000 -0.000000 5.675638\nSr Tl Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-42014",
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"updated_at": "2022-09-04T14:37:31.934864Z",
"structure_string": "Sr2 Tl1 Cd1\n1.0\n0.000000 4.033015 4.033015\n4.033015 0.000000 4.033015\n4.033015 4.033015 -0.000000\nSr Tl Cd\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Sr\n0.750001 0.750001 0.750001 Tl\n0.250001 0.250001 0.250001 Cd\n",
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"density": 6.2276610686687,
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"volume": 131.19567173745455,
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{
"id": "jvasp-113732",
"created_at": "2022-09-04T14:38:49.654827Z",
"updated_at": "2022-09-04T14:38:49.654839Z",
"structure_string": "Sr1 Ti1 O1\n1.0\n3.276171 -0.000000 0.000000\n0.000000 3.276171 0.000000\n0.000000 -0.000000 7.353689\nSr Ti O\n1 1 1\ndirect\n0.000000 0.000000 0.299243 Sr\n0.000000 0.000000 0.760200 Ti\n0.000000 0.000000 -0.007709 O\n",
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"volume": 78.92932382661931,
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"formula_full": "Sr1 Ti1 O1",
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"spacegroup": 99
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{
"id": "jvasp-113733",
"created_at": "2022-09-04T14:38:49.005134Z",
"updated_at": "2022-09-04T14:38:49.005162Z",
"structure_string": "Sr2 Ti1 O3\n1.0\n-1.749532 1.749532 7.304449\n1.749532 -1.749532 7.304449\n1.749532 1.749532 -7.304449\nSr Ti O\n2 1 3\ndirect\n0.660929 0.660929 0.000000 Sr\n0.339072 0.339072 0.000000 Sr\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 O\n0.149274 0.149274 0.000000 O\n0.850727 0.850727 0.000000 O\n",
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"formula_full": "Sr2 Ti1 O3",
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{
"id": "jvasp-8082",
"created_at": "2022-09-04T14:37:06.161888Z",
"updated_at": "2022-09-04T14:37:06.161914Z",
"structure_string": "Sr1 Ti1 O3\n1.0\n3.931643 0.000000 0.000000\n0.000000 3.931643 0.000000\n0.000000 0.000000 3.931643\nSr Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Sr1 Ti1 O3",
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"spacegroup": 221
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{
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"created_at": "2022-09-04T14:36:48.261041Z",
"updated_at": "2022-09-04T14:36:48.261068Z",
"structure_string": "Sr2 Ti2 O6\n1.0\n4.803531 0.000000 -2.772782\n-1.600556 4.529032 -2.772782\n0.008685 0.012282 5.562225\nSr Ti O\n2 2 6\ndirect\n0.750000 0.250000 0.500001 Sr\n0.250000 0.749999 0.500000 Sr\n0.499999 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.772962 0.272962 0.000000 O\n0.727036 0.772962 -0.000000 O\n0.272962 0.227037 -0.000000 O\n0.227037 0.727037 -0.000000 O\n0.250000 0.250000 0.500001 O\n0.749999 0.749999 0.500000 O\n",
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"volume": 121.33528679512675,
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"formula_full": "Sr2 Ti2 O6",
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"formula_anonymous": "ABC3",
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"spacegroup": 140
},
{
"id": "jvasp-9402",
"created_at": "2022-09-04T14:36:54.181549Z",
"updated_at": "2022-09-04T14:36:54.181565Z",
"structure_string": "Sr3 Ti2 O7\n1.0\n3.856649 0.000000 -0.724871\n-0.136242 3.854241 -0.724871\n-0.004713 -0.004883 10.596938\nSr Ti O\n3 2 7\ndirect\n0.315642 0.315641 0.631282 Sr\n0.500000 0.500000 0.000000 Sr\n0.684360 0.684359 0.368718 Sr\n0.097629 0.097629 0.195259 Ti\n0.902372 0.902371 0.804742 Ti\n0.903879 0.403879 0.807756 O\n0.805958 0.805957 0.611915 O\n0.000000 0.000000 0.000000 O\n0.596122 0.096122 0.192245 O\n0.096122 0.596122 0.192245 O\n0.403880 0.903879 0.807756 O\n0.194043 0.194043 0.388086 O\n",
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"volume": 157.4904045159639,
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"formula_full": "Sr3 Ti2 O7",
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"formula_anonymous": "A2B3C7",
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{
"id": "jvasp-269",
"created_at": "2022-09-04T14:38:08.219276Z",
"updated_at": "2022-09-04T14:38:08.219304Z",
"structure_string": "Sr2 Ti2 O6\n1.0\n4.803531 0.000000 -2.772782\n-1.600556 4.529032 -2.772782\n0.008685 0.012282 5.562225\nSr Ti O\n2 2 6\ndirect\n0.750000 0.250000 0.500001 Sr\n0.250000 0.749999 0.500000 Sr\n0.499999 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.772962 0.272962 0.000000 O\n0.727036 0.772962 -0.000000 O\n0.272962 0.227037 -0.000000 O\n0.227037 0.727037 -0.000000 O\n0.250000 0.250000 0.500001 O\n0.749999 0.749999 0.500000 O\n",
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"volume": 121.33528679512675,
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"formula_full": "Sr2 Ti2 O6",
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{
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"created_at": "2022-09-04T14:35:48.459538Z",
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"structure_string": "Sr2 Ti1 O4\n1.0\n3.749093 0.000000 -1.104393\n-0.325328 3.734951 -1.104393\n-0.003652 -0.003984 6.903337\nSr Ti O\n2 1 4\ndirect\n0.645343 0.645344 0.290687 Sr\n0.354656 0.354657 0.709314 Sr\n0.000000 0.000000 0.000000 Ti\n0.841439 0.841440 0.682879 O\n0.158561 0.158561 0.317122 O\n-0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.000000 O\n",
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},
{
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"created_at": "2022-09-04T14:36:49.893863Z",
"updated_at": "2022-09-04T14:36:49.893873Z",
"structure_string": "Sr4 Ti3 O10\n1.0\n3.891049 -0.000000 -0.534911\n-0.073535 3.890354 -0.534911\n0.000383 0.000391 14.422360\nSr Ti O\n4 3 10\ndirect\n0.702421 0.702421 0.404843 Sr\n0.431467 0.431467 0.862936 Sr\n0.568531 0.568532 0.137064 Sr\n0.297577 0.297578 0.595157 Sr\n0.140203 0.140203 0.280406 Ti\n0.859795 0.859796 0.719594 Ti\n0.000000 0.000000 0.000000 Ti\n0.861073 0.361073 0.722146 O\n0.138925 0.638926 0.277854 O\n0.930476 0.930477 0.860956 O\n0.069522 0.069522 0.139044 O\n-0.000001 0.499999 -0.000000 O\n0.500000 0.000000 0.000000 O\n0.209648 0.209648 0.419296 O\n0.790350 0.790351 0.580704 O\n0.638926 0.138926 0.277854 O\n0.361072 0.861073 0.722146 O\n",
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"formula_full": "Sr4 Ti3 O10",
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}