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{
"id": "jvasp-100038",
"created_at": "2022-09-04T14:36:53.708493Z",
"updated_at": "2022-09-04T14:36:53.708514Z",
"structure_string": "Al1 Sb1\n1.0\n4.146690 -0.002176 -0.618433\n-3.080823 2.775530 -0.618433\n0.000836 0.002176 4.192552\nAl Sb\n1 1\ndirect\n0.750000 0.250000 0.500001 Al\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-123640",
"created_at": "2022-09-04T14:38:55.094929Z",
"updated_at": "2022-09-04T14:38:55.094946Z",
"structure_string": "Al1 Se2\n1.0\n1.982696 -3.269382 -0.347936\n1.840021 3.187009 -0.000000\n-0.472872 0.273013 5.443576\nAl Se\n1 2\ndirect\n0.000000 0.333341 0.166667 Al\n0.742560 0.704610 0.420453 Se\n0.257442 -0.037950 0.912880 Se\n",
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{
"id": "jvasp-10862",
"created_at": "2022-09-04T14:38:34.431721Z",
"updated_at": "2022-09-04T14:38:34.431746Z",
"structure_string": "Al4 Se6\n1.0\n6.763729 -0.000000 0.000000\n-3.381864 5.034619 -3.046510\n0.000000 0.015215 7.418078\nAl Se\n4 6\ndirect\n0.638164 0.083379 0.128073 Al\n0.445216 0.083379 0.628074 Al\n0.267331 0.400401 0.116921 Al\n0.133069 0.400401 0.616921 Al\n0.909398 0.988555 0.988357 Se\n0.079158 0.988554 0.488357 Se\n0.593543 0.351217 0.013356 Se\n0.757675 0.351218 0.513356 Se\n0.241955 0.676250 0.003294 Se\n0.434297 0.676251 0.503294 Se\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Al-Se",
"density": 3.819046433380892,
"density_atomic": 0.03953822009476318,
"volume": 252.91983240602414,
"volume_molar": 15.231188317446867,
"formula_full": "Al4 Se6",
"formula_reduced": "Al2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4226971400000004,
"spacegroup": 9
},
{
"id": "jvasp-109791",
"created_at": "2022-09-04T14:38:27.288475Z",
"updated_at": "2022-09-04T14:38:27.288511Z",
"structure_string": "Al4 Si1\n1.0\n2.845442 -0.001802 11.202147\n1.398964 2.477790 11.202147\n-0.003089 -0.001802 11.557881\nAl Si\n4 1\ndirect\n0.602130 0.602133 0.602134 Al\n0.200988 0.200989 0.200989 Al\n0.799009 0.799013 0.799013 Al\n0.397866 0.397868 0.397869 Al\n0.000000 0.000000 0.000000 Si\n",
"nsites": 5,
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"elements": [
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"Si"
],
"chemical_system": "Al-Si",
"density": 2.7667202835127784,
"density_atomic": 0.06125055632224905,
"volume": 81.63191161389938,
"volume_molar": 9.831977244935615,
"formula_full": "Al4 Si1",
"formula_reduced": "Al4Si",
"formula_anonymous": "AB4",
"energy_above_hull": 2.1296899600000003,
"spacegroup": 166
},
{
"id": "jvasp-35236",
"created_at": "2022-09-04T14:38:04.830155Z",
"updated_at": "2022-09-04T14:38:04.830174Z",
"structure_string": "Al1 Si1\n1.0\n3.199908 0.000000 -0.000000\n0.000000 3.199908 0.000000\n0.000000 0.000000 3.199908\nAl Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Si\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Al-Si",
"density": 2.790797610911487,
"density_atomic": 0.061040420834937284,
"volume": 32.76517384125363,
"volume_molar": 9.865824444894962,
"formula_full": "Al1 Si1",
"formula_reduced": "AlSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.7736206999999995,
"spacegroup": 221
},
{
"id": "jvasp-102451",
"created_at": "2022-09-04T14:37:12.066370Z",
"updated_at": "2022-09-04T14:37:12.066395Z",
"structure_string": "Al3 Sn1\n1.0\n4.317526 0.000000 0.000000\n0.000000 4.317526 0.000000\n0.000000 0.000000 4.317526\nAl Sn\n3 1\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.119301384839209,
"density_atomic": 0.049699853282204796,
"volume": 80.4831349760184,
"volume_molar": 12.117019190791552,
"formula_full": "Al3 Sn1",
"formula_reduced": "Al3Sn",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-14917",
"created_at": "2022-09-04T14:35:45.420301Z",
"updated_at": "2022-09-04T14:35:45.420323Z",
"structure_string": "Al1 Sn1\n1.0\n2.124593 -3.679903 0.000000\n2.124593 3.679903 -0.000000\n-0.000000 -0.000000 3.269793\nAl Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333332 0.666666 0.500000 Sn\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Al-Sn",
"density": 4.731741977558497,
"density_atomic": 0.03911718760406497,
"volume": 51.1284200756847,
"volume_molar": 15.395127126609156,
"formula_full": "Al1 Sn1",
"formula_reduced": "AlSn",
"formula_anonymous": "AB",
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"spacegroup": 187
},
{
"id": "jvasp-100146",
"created_at": "2022-09-04T14:36:34.610276Z",
"updated_at": "2022-09-04T14:36:34.610302Z",
"structure_string": "Al3 Sn1\n1.0\n3.999229 0.156440 -3.595368\n-0.692709 3.941884 -3.595368\n-0.126216 -0.156440 5.376296\nAl Sn\n3 1\ndirect\n0.750000 0.250000 0.499999 Al\n0.249999 0.749999 0.499999 Al\n0.500000 0.499999 -0.000001 Al\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"density": 4.094007377066592,
"density_atomic": 0.04939467811831785,
"volume": 80.98038396805775,
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"formula_full": "Al3 Sn1",
"formula_reduced": "Al3Sn",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-4552",
"created_at": "2022-09-04T14:37:49.698739Z",
"updated_at": "2022-09-04T14:37:49.698760Z",
"structure_string": "Al1 Sn1\n1.0\n2.124593 -3.679903 0.000000\n2.124593 3.679903 0.000000\n0.000000 0.000000 3.269793\nAl Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333332 0.666666 0.500000 Sn\n",
"nsites": 2,
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"elements": [
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"density": 4.731741977558497,
"density_atomic": 0.03911718760406497,
"volume": 51.1284200756847,
"volume_molar": 15.395127126609156,
"formula_full": "Al1 Sn1",
"formula_reduced": "AlSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.7771072500000002,
"spacegroup": 187
},
{
"id": "jvasp-40439",
"created_at": "2022-09-04T14:38:02.887083Z",
"updated_at": "2022-09-04T14:38:02.887095Z",
"structure_string": "Al3 Tc1\n1.0\n-1.921476 1.921476 4.027520\n1.921476 -1.921476 4.027520\n1.921476 1.921476 -4.027520\nAl Tc\n3 1\ndirect\n0.750001 0.250000 0.500000 Al\n0.250000 0.750001 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
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"elements": [
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"Tc"
],
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"density": 4.995743216636289,
"density_atomic": 0.06725001191524124,
"volume": 59.479543364860845,
"volume_molar": 8.954854562092901,
"formula_full": "Al3 Tc1",
"formula_reduced": "Al3Tc",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-35798",
"created_at": "2022-09-04T14:37:29.450772Z",
"updated_at": "2022-09-04T14:37:29.450791Z",
"structure_string": "Al1 Tc2\n1.0\n2.984731 -0.000000 -0.000000\n0.000000 2.984731 -0.000000\n-1.492365 -1.492365 4.786199\nAl Tc\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.669487 0.669487 0.338976 Tc\n0.330511 0.330511 0.661024 Tc\n",
"nsites": 3,
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"elements": [
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"density": 8.683940938121669,
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"volume": 42.63842403054907,
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"formula_full": "Al1 Tc2",
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"spacegroup": 139
},
{
"id": "jvasp-92300",
"created_at": "2022-09-04T14:35:58.562018Z",
"updated_at": "2022-09-04T14:35:58.562043Z",
"structure_string": "Al3 Tc2\n1.0\n-2.178132 -3.772053 -0.000184\n-2.177629 3.771762 -0.000000\n-0.000347 -0.000200 -5.115284\nAl Tc\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333267 0.666633 0.610055 Al\n0.666733 0.333367 0.389944 Al\n0.333381 0.666690 0.106224 Tc\n0.666619 0.333311 0.893774 Tc\n",
"nsites": 5,
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"elements": [
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"formula_full": "Al3 Tc2",
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}
]
}