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{
"id": "jvasp-11395",
"created_at": "2022-09-04T14:38:33.203280Z",
"updated_at": "2022-09-04T14:38:33.203305Z",
"structure_string": "Al8 Sb8\n1.0\n7.620413 0.000000 -0.000000\n-0.000000 7.620413 0.000000\n-0.000000 -0.000000 7.620413\nAl Sb\n8 8\ndirect\n0.344077 0.344077 0.344077 Al\n0.155922 0.655922 0.844077 Al\n0.844077 0.155922 0.655922 Al\n0.655922 0.844077 0.155922 Al\n0.655922 0.655922 0.655922 Al\n0.844077 0.344077 0.155922 Al\n0.155922 0.844077 0.344077 Al\n0.344077 0.155922 0.844077 Al\n0.142094 0.142094 0.142094 Sb\n0.357905 0.857905 0.642094 Sb\n0.642094 0.357905 0.857905 Sb\n0.857905 0.642094 0.357905 Sb\n0.857905 0.857905 0.857905 Sb\n0.642094 0.142094 0.357905 Sb\n0.357905 0.642094 0.142094 Sb\n0.142094 0.357905 0.642094 Sb\n",
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{
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"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",
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"formula_full": "Al4 Se6",
"formula_reduced": "Al2Se3",
"formula_anonymous": "A2B3",
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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",
"nsites": 3,
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"elements": [
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"density": 4.620894081310615,
"density_atomic": 0.045149988715648355,
"volume": 66.44519933091904,
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"formula_full": "Al1 Se2",
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"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"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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"density": 2.7667202835127784,
"density_atomic": 0.06125055632224905,
"volume": 81.63191161389938,
"volume_molar": 9.831977244935615,
"formula_full": "Al4 Si1",
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"formula_anonymous": "AB4",
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"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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"density": 2.790797610911487,
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"volume": 32.76517384125363,
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},
{
"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",
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"elements": [
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},
{
"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",
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"formula_full": "Al1 Sn1",
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},
{
"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",
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},
{
"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",
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"volume": 80.4831349760184,
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"formula_full": "Al3 Sn1",
"formula_reduced": "Al3Sn",
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},
{
"id": "jvasp-22774",
"created_at": "2022-09-04T14:37:38.935677Z",
"updated_at": "2022-09-04T14:37:38.935713Z",
"structure_string": "Al12 Tc2\n1.0\n5.061767 0.011353 -0.000000\n-0.721270 5.010128 0.000000\n-0.000000 0.000000 9.074344\nAl Tc\n12 2\ndirect\n0.324000 0.676001 0.000000 Al\n0.676001 0.323999 0.500000 Al\n0.676001 0.323999 0.000000 Al\n0.324000 0.676001 0.500000 Al\n0.131085 0.131085 0.601439 Al\n0.868915 0.868914 0.101439 Al\n0.131085 0.131085 0.898561 Al\n0.868915 0.868914 0.398561 Al\n0.392521 0.031082 0.250000 Al\n0.607479 0.968917 0.750000 Al\n0.031083 0.392521 0.250000 Al\n0.968918 0.607479 0.750000 Al\n0.546287 0.546286 0.250000 Tc\n0.453714 0.453713 0.750000 Tc\n",
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"formula_full": "Al12 Tc2",
"formula_reduced": "Al6Tc",
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"spacegroup": 63
},
{
"id": "jvasp-22775",
"created_at": "2022-09-04T14:37:52.709495Z",
"updated_at": "2022-09-04T14:37:52.709522Z",
"structure_string": "Al12 Tc1\n1.0\n6.182153 0.000000 -2.185722\n-3.091077 5.353901 -2.185722\n-0.000000 -0.000000 6.557164\nAl Tc\n12 1\ndirect\n0.495924 0.307254 0.188670 Al\n0.307254 0.811330 0.118584 Al\n0.188669 0.881416 0.692745 Al\n0.692745 0.811330 0.504076 Al\n0.811330 0.118584 0.307254 Al\n0.692745 0.188670 0.881416 Al\n0.811330 0.504076 0.692745 Al\n0.188669 0.495924 0.307254 Al\n0.307254 0.188670 0.495924 Al\n0.118584 0.307254 0.811330 Al\n0.881415 0.692745 0.188670 Al\n0.504075 0.692745 0.811330 Al\n0.000000 0.000000 0.000000 Tc\n",
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"formula_full": "Al12 Tc1",
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{
"id": "jvasp-109019",
"created_at": "2022-09-04T14:37:47.264829Z",
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"structure_string": "Al2 Tc6\n1.0\n5.413882 -0.000000 0.000000\n-2.706941 4.688559 0.000000\n-0.000000 -0.000000 4.536912\nAl Tc\n2 6\ndirect\n0.333333 0.666667 0.750000 Al\n0.666666 0.333333 0.250000 Al\n0.170774 0.341549 0.250000 Tc\n0.658451 0.829226 0.250000 Tc\n0.170774 0.829226 0.250000 Tc\n0.829226 0.658451 0.750000 Tc\n0.341549 0.170774 0.750000 Tc\n0.829226 0.170774 0.750000 Tc\n",
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]
}