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{
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"formula_full": "Sr2 Ti2 Bi2 O1 F2",
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{
"id": "jvasp-89948",
"created_at": "2022-09-04T14:35:42.011569Z",
"updated_at": "2022-09-04T14:35:42.011598Z",
"structure_string": "Sr2 Ti2 Sb2 O1 F2\n1.0\n4.110878 -0.000000 -0.000000\n-0.000000 4.110878 -0.000000\n-2.055438 -2.055438 10.524532\nSr Ti Sb O F\n2 2 2 1 2\ndirect\n0.316921 0.316921 0.633844 Sr\n0.683079 0.683079 0.366156 Sr\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.903620 0.903620 0.807239 Sb\n0.096380 0.096380 0.192761 Sb\n0.500000 0.500000 0.000000 O\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n",
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"elements": [
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"density": 5.307623586093512,
"density_atomic": 0.05060233296718624,
"volume": 177.8574123417624,
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"formula_full": "Sr2 Ti2 Sb2 O1 F2",
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{
"id": "jvasp-43509",
"created_at": "2022-09-04T14:37:09.875919Z",
"updated_at": "2022-09-04T14:37:09.875938Z",
"structure_string": "Sr2 Ti6 N2 O11\n1.0\n-3.847129 -0.000569 0.000840\n1.922661 7.548528 -0.005274\n-0.001983 -1.440141 -9.184029\nSr Ti N O\n2 6 2 11\ndirect\n0.553896 0.111131 0.754208 Sr\n0.455087 0.913520 0.221582 Sr\n0.120279 0.243891 0.085002 Ti\n0.164483 0.332331 0.439723 Ti\n0.241023 0.485383 0.755439 Ti\n0.766506 0.536331 0.234267 Ti\n0.833280 0.669888 0.565646 Ti\n0.886006 0.775352 0.892447 Ti\n0.293953 0.591237 0.580533 N\n0.932151 0.867636 0.716414 N\n0.833902 0.671136 0.096063 O\n0.357413 0.718154 0.893970 O\n0.237543 0.478413 0.241290 O\n0.753654 0.510639 0.767961 O\n0.065214 0.133777 0.299081 O\n0.636357 0.276048 0.116161 O\n0.151498 0.306334 0.903479 O\n0.122152 0.247669 0.616552 O\n0.872465 0.748208 0.382137 O\n0.696847 0.397040 0.427168 O\n0.996543 -0.003593 0.019527 O\n",
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"elements": [
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"density_atomic": 0.07873350333382372,
"volume": 266.72254009784996,
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"formula_full": "Sr2 Ti6 N2 O11",
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{
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"created_at": "2022-09-04T14:37:18.068251Z",
"updated_at": "2022-09-04T14:37:18.068265Z",
"structure_string": "Sr2 Ti6 N2 O11\n1.0\n3.849566 -0.002357 -0.000044\n-1.920324 7.512245 0.004905\n-0.000754 -1.496625 9.197391\nSr Ti N O\n2 6 2 11\ndirect\n0.459619 0.916426 0.211459 Sr\n0.553515 0.104223 0.753366 Sr\n0.878354 0.753872 0.900003 Ti\n0.835562 0.668319 0.571837 Ti\n0.768756 0.534729 0.237503 Ti\n0.237550 0.472305 0.768372 Ti\n0.165726 0.328659 0.433542 Ti\n0.123442 0.244110 0.078896 Ti\n0.767533 0.532269 0.751977 N\n0.159822 0.316876 0.902219 N\n0.127937 0.253079 0.612328 O\n0.637636 0.272493 0.124326 O\n0.702378 0.401957 0.429114 O\n0.240644 0.478499 0.244753 O\n0.938956 0.875101 0.711006 O\n0.367410 0.732007 0.897056 O\n0.835529 0.668236 0.091746 O\n0.873485 0.744212 0.382347 O\n0.063717 0.124624 0.307069 O\n0.306000 0.609200 0.566251 O\n-0.000868 0.995476 0.012988 O\n",
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"formula_full": "Sr2 Ti6 N2 O11",
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"created_at": "2022-09-04T14:36:09.725962Z",
"updated_at": "2022-09-04T14:36:09.725986Z",
"structure_string": "Sr2 Ti1 Be1\n1.0\n-2.467498 2.467498 4.517713\n2.467498 -2.467498 4.517713\n2.467498 2.467498 -4.517713\nSr Ti Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.250000 0.750000 0.500000 Ti\n0.750000 0.250000 0.500000 Be\n",
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"formula_full": "Sr2 Ti1 Be1",
"formula_reduced": "Sr2TiBe",
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"spacegroup": 139
},
{
"id": "jvasp-68867",
"created_at": "2022-09-04T14:36:12.534716Z",
"updated_at": "2022-09-04T14:36:12.534732Z",
"structure_string": "Sr2 Ti1 Be2\n1.0\n-2.967160 2.967160 3.767261\n2.967160 -2.967160 3.767261\n2.967160 2.967160 -3.767261\nSr Ti Be\n2 1 2\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Ti\n0.637143 0.637143 0.000000 Be\n0.362857 0.362857 0.000000 Be\n",
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"volume": 132.66844301581887,
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"formula_full": "Sr2 Ti1 Be2",
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"spacegroup": 139
},
{
"id": "jvasp-118774",
"created_at": "2022-09-04T14:38:53.626752Z",
"updated_at": "2022-09-04T14:38:53.626780Z",
"structure_string": "Sr2 Ti1 N2\n1.0\n-1.877723 1.877723 6.935076\n1.877723 -1.877723 6.935076\n1.877723 1.877723 -6.935076\nSr Ti N\n2 1 2\ndirect\n0.660139 0.660139 0.000000 Sr\n0.339861 0.339861 0.000000 Sr\n0.000000 0.000000 0.000000 Ti\n0.861853 0.861853 0.000000 N\n0.138148 0.138148 0.000000 N\n",
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},
{
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"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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{
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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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"structure_string": "Sr2 Ti1 Ru1 O6\n1.0\n3.920380 -0.000000 0.000000\n0.000000 3.920380 0.000000\n-0.000000 -0.000000 7.917470\nSr Ti Ru O\n2 1 1 6\ndirect\n0.500000 0.500000 0.745704 Sr\n0.500000 0.500000 0.254296 Sr\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.745954 O\n0.000000 0.000000 0.254046 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n",
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"formula_full": "Sr2 Ti1 Ru1 O6",
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},
{
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"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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}
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}