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{
"id": "jvasp-8012",
"created_at": "2022-09-04T14:36:50.655421Z",
"updated_at": "2022-09-04T14:36:50.655445Z",
"structure_string": "Sr1 C2\n1.0\n3.622059 -0.000000 -1.898672\n-0.995277 3.482633 -1.898672\n0.030332 0.040214 4.462064\nSr C\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.407550 0.407549 0.815100 C\n0.592449 0.592449 0.184898 C\n",
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{
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"created_at": "2022-09-04T14:37:11.445859Z",
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"structure_string": "Sr1 C2\n1.0\n2.491174 1.438280 2.305371\n-2.491174 1.438280 2.305371\n0.000000 -2.876560 2.305371\nSr C\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.591117 0.591117 0.591117 C\n0.408883 0.408883 0.408883 C\n",
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{
"id": "jvasp-104926",
"created_at": "2022-09-04T14:36:55.635408Z",
"updated_at": "2022-09-04T14:36:55.635442Z",
"structure_string": "Sr1 C1 O3\n1.0\n4.136810 -0.033326 1.279066\n0.933727 4.030194 1.279066\n-0.042278 -0.033326 4.329829\nSr C O\n1 1 3\ndirect\n0.500000 0.499999 0.500001 Sr\n0.000000 0.000000 0.000000 C\n0.748874 0.251125 0.000001 O\n0.000001 0.748873 0.251127 O\n0.251126 -0.000001 0.748875 O\n",
"nsites": 5,
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"elements": [
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"chemical_system": "C-O-Sr",
"density": 3.3729834277686037,
"density_atomic": 0.06879608596348487,
"volume": 72.67855329231763,
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"formula_full": "Sr1 C1 O3",
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{
"id": "jvasp-1762",
"created_at": "2022-09-04T14:36:16.376186Z",
"updated_at": "2022-09-04T14:36:16.376207Z",
"structure_string": "Sr1 C1 N2\n1.0\n3.724712 0.021954 4.149025\n1.603913 3.361759 4.149025\n0.034573 0.021954 5.575543\nSr C N\n1 1 2\ndirect\n0.499999 0.499999 0.500000 Sr\n0.000000 0.000000 0.000000 C\n0.081018 0.081018 0.081018 N\n0.918981 0.918981 0.918982 N\n",
"nsites": 4,
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"elements": [
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"density": 3.074259074979516,
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"volume": 68.94604830024267,
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"formula_full": "Sr1 C1 N2",
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"spacegroup": 166
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{
"id": "jvasp-117924",
"created_at": "2022-09-04T14:38:51.783347Z",
"updated_at": "2022-09-04T14:38:51.783373Z",
"structure_string": "Sr1 C1 N1\n1.0\n6.015546 2.233407 0.000000\n2.061969 3.645393 0.000000\n0.000000 0.000000 4.183526\nSr C N\n1 1 1\ndirect\n-0.225639 0.083464 0.000000 Sr\n0.363825 0.083668 0.000000 C\n0.176021 0.083596 0.000000 N\n",
"nsites": 3,
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"elements": [
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"density": 2.6036608896214357,
"density_atomic": 0.041393799155979405,
"volume": 72.47462328102456,
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"formula_full": "Sr1 C1 N1",
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"spacegroup": 38
},
{
"id": "jvasp-117922",
"created_at": "2022-09-04T14:38:50.320940Z",
"updated_at": "2022-09-04T14:38:50.320963Z",
"structure_string": "Sr1 C1 N1\n1.0\n4.288684 0.000000 -0.000000\n-2.144342 3.714110 0.000000\n-0.000000 0.000000 4.179320\nSr C N\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 C\n0.333332 0.666667 0.000000 N\n",
"nsites": 3,
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"elements": [
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"density": 2.834561938009064,
"density_atomic": 0.04506473482197248,
"volume": 66.57090099057395,
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"formula_full": "Sr1 C1 N1",
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"spacegroup": 187
},
{
"id": "jvasp-90129",
"created_at": "2022-09-04T14:35:59.350653Z",
"updated_at": "2022-09-04T14:35:59.350669Z",
"structure_string": "Sr1 Br2 O6\n1.0\n-0.184507 -0.106525 -4.310797\n-2.323629 -5.151829 -0.066659\n-3.299801 5.715423 0.000000\nSr Br O\n1 2 6\ndirect\n0.000000 0.000000 0.046503 Sr\n0.686574 0.304196 0.720183 Br\n0.313427 0.695804 0.415987 Br\n0.490855 0.343514 0.257931 O\n0.509146 0.656487 0.914418 O\n0.500000 0.000000 0.747353 O\n0.038889 0.633005 0.554197 O\n0.961112 0.366995 0.921193 O\n0.000000 0.000000 0.422236 O\n",
"nsites": 9,
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"elements": [
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"chemical_system": "Br-O-Sr",
"density": 4.371908877099585,
"density_atomic": 0.06899750160791474,
"volume": 130.4395056380941,
"volume_molar": 8.728056262415734,
"formula_full": "Sr1 Br2 O6",
"formula_reduced": "Sr(BrO3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 5
},
{
"id": "jvasp-123851",
"created_at": "2022-09-04T14:38:54.583820Z",
"updated_at": "2022-09-04T14:38:54.583847Z",
"structure_string": "Sr1 Bi5\n1.0\n2.283295 -3.954793 0.000000\n2.283295 3.954793 -0.000000\n-0.000000 -0.000000 12.139996\nSr Bi\n1 5\ndirect\n0.000000 0.000000 0.249992 Sr\n0.666665 0.333332 0.067058 Bi\n0.666665 0.333332 0.585339 Bi\n0.333332 0.666665 0.432941 Bi\n0.333332 0.666665 0.914662 Bi\n0.000000 0.000000 0.750008 Bi\n",
"nsites": 6,
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"elements": [
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"density": 8.577513751032745,
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"volume": 219.24733429398913,
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"formula_full": "Sr1 Bi5",
"formula_reduced": "SrBi5",
"formula_anonymous": "AB5",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-18340",
"created_at": "2022-09-04T14:38:07.227552Z",
"updated_at": "2022-09-04T14:38:07.227567Z",
"structure_string": "Sr1 Bi3\n1.0\n5.070098 0.000000 0.000000\n0.000000 5.070098 -0.000000\n0.000000 -0.000000 5.070098\nSr Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"density": 9.104151298583481,
"density_atomic": 0.030690992256144536,
"volume": 130.33140038667776,
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"formula_full": "Sr1 Bi3",
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"spacegroup": 221
},
{
"id": "jvasp-51293",
"created_at": "2022-09-04T14:36:35.124967Z",
"updated_at": "2022-09-04T14:36:35.124993Z",
"structure_string": "Sr1 Bi1 B1\n1.0\n-0.000000 3.656932 3.656932\n3.656932 0.000000 3.656932\n3.656932 3.656932 -0.000000\nSr Bi B\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 B\n",
"nsites": 3,
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"elements": [
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"density": 5.219013451678754,
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"volume": 97.80941243866717,
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"formula_full": "Sr1 Bi1 B1",
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"spacegroup": 216
},
{
"id": "jvasp-67085",
"created_at": "2022-09-04T14:35:40.966461Z",
"updated_at": "2022-09-04T14:35:40.966483Z",
"structure_string": "Sr1 Be2 Zn1\n1.0\n3.042047 0.000000 0.000000\n0.000000 3.042047 0.000000\n0.000000 0.000000 7.265390\nSr Be Zn\n1 2 1\ndirect\n0.000000 0.000000 0.481908 Sr\n0.000000 0.000000 0.037296 Be\n0.500000 0.500000 0.157166 Be\n0.500000 0.500000 0.823629 Zn\n",
"nsites": 4,
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"density": 4.224642326538104,
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"volume": 67.23428196774898,
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"formula_full": "Sr1 Be2 Zn1",
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"spacegroup": 99
},
{
"id": "jvasp-70957",
"created_at": "2022-09-04T14:35:44.893229Z",
"updated_at": "2022-09-04T14:35:44.893259Z",
"structure_string": "Sr1 Be2 Zn1\n1.0\n4.391067 0.000000 0.000000\n0.000000 4.391067 0.000000\n0.000000 0.000000 4.257317\nSr Be Zn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Zn\n",
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}