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{
"id": "jvasp-123711",
"created_at": "2022-09-04T14:38:55.355939Z",
"updated_at": "2022-09-04T14:38:55.355967Z",
"structure_string": "Sr1 Se2\n1.0\n3.929547 -4.685548 -0.626302\n2.093033 3.625236 -0.000000\n-1.507626 0.870428 3.817585\nSr Se\n1 2\ndirect\n-0.000000 0.333300 0.166667 Sr\n0.749341 0.708021 0.462885 Se\n0.250658 -0.041321 0.870451 Se\n",
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{
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"created_at": "2022-09-04T14:38:49.870345Z",
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"structure_string": "Sr1 Se1 F2\n1.0\n3.421443 0.000000 0.000000\n0.000000 3.421443 0.000000\n0.000000 -0.000000 6.403044\nSr Se F\n1 1 2\ndirect\n0.500000 0.500000 0.497093 Sr\n0.000000 0.000000 0.922528 Se\n0.000000 0.000000 0.445457 F\n0.500000 0.500000 0.144921 F\n",
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{
"id": "jvasp-121034",
"created_at": "2022-09-04T14:38:52.741499Z",
"updated_at": "2022-09-04T14:38:52.741520Z",
"structure_string": "Sr1 Se1 F1\n1.0\n5.024945 0.000000 0.000000\n-2.512472 4.351730 -0.000000\n-0.000000 -0.000000 4.339700\nSr Se F\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sr\n0.333333 0.666667 0.000000 Se\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
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"density_atomic": 0.031613187849820014,
"volume": 94.89710478587753,
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"formula_full": "Sr1 Se1 F1",
"formula_reduced": "SrSeF",
"formula_anonymous": "ABC",
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"spacegroup": 187
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{
"id": "jvasp-121035",
"created_at": "2022-09-04T14:38:53.734241Z",
"updated_at": "2022-09-04T14:38:53.734269Z",
"structure_string": "Sr1 Se1 F1\n1.0\n5.942544 0.000000 0.000000\n-0.000000 5.942544 -0.000000\n-0.000000 0.000000 8.866581\nSr Se F\n1 1 1\ndirect\n0.000000 0.000000 0.005073 Sr\n0.000000 0.000000 0.675610 Se\n0.000000 0.000000 0.243673 F\n",
"nsites": 3,
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"elements": [
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"chemical_system": "F-Se-Sr",
"density": 0.9841822611162833,
"density_atomic": 0.009581207742581014,
"volume": 313.1129269504651,
"volume_molar": 62.85367066237663,
"formula_full": "Sr1 Se1 F1",
"formula_reduced": "SrSeF",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-1121",
"created_at": "2022-09-04T14:37:18.770395Z",
"updated_at": "2022-09-04T14:37:18.770426Z",
"structure_string": "Sr1 Se1\n1.0\n3.831517 0.000000 2.212128\n1.277172 3.612390 2.212128\n0.000000 0.000000 4.424256\nSr Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500001 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"chemical_system": "Se-Sr",
"density": 4.517168786284397,
"density_atomic": 0.03266061505232776,
"volume": 61.235833948493195,
"volume_molar": 18.43854057969063,
"formula_full": "Sr1 Se1",
"formula_reduced": "SrSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99845",
"created_at": "2022-09-04T14:36:39.219113Z",
"updated_at": "2022-09-04T14:36:39.219132Z",
"structure_string": "Sr1 Sc1 O3\n1.0\n4.118747 0.000000 -0.000000\n-0.000000 4.118747 0.000000\n0.000000 0.000000 4.118747\nSr Sc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Sc",
"O"
],
"chemical_system": "O-Sc-Sr",
"density": 4.291501201688871,
"density_atomic": 0.07156071274826667,
"volume": 69.87074063374402,
"volume_molar": 8.415428702037161,
"formula_full": "Sr1 Sc1 O3",
"formula_reduced": "SrScO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3649064119999998,
"spacegroup": 221
},
{
"id": "jvasp-69866",
"created_at": "2022-09-04T14:36:12.033936Z",
"updated_at": "2022-09-04T14:36:12.033964Z",
"structure_string": "Sr1 Sc1 Be2\n1.0\n3.450143 -0.000000 -0.000000\n-0.000000 3.450143 -0.000000\n0.000000 0.000000 6.834534\nSr Sc Be\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.829505 Be\n0.000000 0.000000 0.170495 Be\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Sc-Sr",
"density": 3.0739143694110442,
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"volume": 81.35478470945719,
"volume_molar": 12.248249125496171,
"formula_full": "Sr1 Sc1 Be2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-67623",
"created_at": "2022-09-04T14:35:56.276464Z",
"updated_at": "2022-09-04T14:35:56.276495Z",
"structure_string": "Sr1 Sc1 Be1\n1.0\n-1.729603 1.729603 6.260816\n1.729603 -1.729603 6.260816\n1.729603 1.729603 -6.260816\nSr Sc Be\n1 1 1\ndirect\n0.645765 0.645765 0.000000 Sr\n0.380832 0.380832 0.000000 Sc\n0.973405 0.973405 0.000000 Be\n",
"nsites": 3,
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"elements": [
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"density": 3.1382825459173898,
"density_atomic": 0.040044000965286326,
"volume": 74.91758884434812,
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"formula_full": "Sr1 Sc1 Be1",
"formula_reduced": "SrScBe",
"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-66730",
"created_at": "2022-09-04T14:35:58.196528Z",
"updated_at": "2022-09-04T14:35:58.196554Z",
"structure_string": "Sr1 Sc1 Be1\n1.0\n1.818312 -3.149408 -0.000000\n1.818312 3.149408 0.000000\n0.000000 -0.000000 7.126910\nSr Sc Be\n1 1 1\ndirect\n0.666667 0.333332 0.287221 Sr\n0.333332 0.666667 0.742821 Sc\n0.000000 0.000000 0.969958 Be\n",
"nsites": 3,
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"elements": [
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"density": 2.8803630537880194,
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"volume": 81.62601625626051,
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"formula_full": "Sr1 Sc1 Be1",
"formula_reduced": "SrScBe",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-51220",
"created_at": "2022-09-04T14:37:09.542041Z",
"updated_at": "2022-09-04T14:37:09.542059Z",
"structure_string": "Sr1 Sc1 Be1\n1.0\n-0.000000 3.443240 3.443240\n3.443240 0.000000 3.443240\n3.443240 3.443240 0.000000\nSr Sc Be\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Be\n",
"nsites": 3,
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"elements": [
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"density": 2.8796781605001214,
"density_atomic": 0.036744248916909424,
"volume": 81.64542992248843,
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"formula_full": "Sr1 Sc1 Be1",
"formula_reduced": "SrScBe",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-92736",
"created_at": "2022-09-04T14:35:48.337095Z",
"updated_at": "2022-09-04T14:35:48.337125Z",
"structure_string": "Sr1 Sb2 Ru2\n1.0\n4.486911 0.000000 -0.000000\n0.000000 4.486911 -0.000000\n-2.243456 -2.243456 5.731617\nSr Sb Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.635900 0.635900 0.271802 Sb\n0.364099 0.364099 0.728198 Sb\n0.250000 0.749999 0.500000 Ru\n0.749999 0.250000 0.500000 Ru\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ru-Sb-Sr",
"density": 7.674186004647756,
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"volume": 115.39103598741788,
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"formula_full": "Sr1 Sb2 Ru2",
"formula_reduced": "Sr(SbRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.4021239020000005,
"spacegroup": 139
},
{
"id": "jvasp-15710",
"created_at": "2022-09-04T14:36:35.346699Z",
"updated_at": "2022-09-04T14:36:35.346726Z",
"structure_string": "Sr1 Sb2 Pd2\n1.0\n4.367646 -0.000000 -1.716210\n-0.674363 4.315271 -1.716210\n0.006907 0.008069 6.433372\nSr Sb Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.367857 0.367856 0.735711 Sb\n0.632145 0.632144 0.264290 Sb\n0.250001 0.750000 0.500000 Pd\n0.750001 0.250000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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],
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"density": 7.442258983521413,
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"volume": 121.37444335774224,
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"formula_full": "Sr1 Sb2 Pd2",
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}
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