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"structure_string": "Ba1 Ga1 Sb2\n1.0\n4.314348 -0.000000 0.000000\n-0.000000 4.314348 0.000000\n-0.000000 0.000000 6.802727\nBa Ga Sb\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.706570 Sb\n0.000000 0.000000 0.293430 Sb\n",
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{
"id": "jvasp-79803",
"created_at": "2022-09-04T14:37:15.051990Z",
"updated_at": "2022-09-04T14:37:15.052010Z",
"structure_string": "Ho1 Tl1 Se2\n1.0\n-2.071082 -3.587218 -0.000000\n2.071082 -3.587218 -0.000000\n0.000000 -2.391479 7.728260\nHo Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Tl\n0.265262 0.265262 0.204216 Se\n0.734739 0.734739 0.795784 Se\n",
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"formula_full": "Ho1 Tl1 Se2",
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"spacegroup": 166
},
{
"id": "jvasp-3039",
"created_at": "2022-09-04T14:36:56.194285Z",
"updated_at": "2022-09-04T14:36:56.194320Z",
"structure_string": "Ba4 Sb2 O1\n1.0\n5.113683 -0.000000 -1.401941\n-0.384348 5.099218 -1.401941\n-0.043997 -0.047437 9.866756\nBa Sb O\n4 2 1\ndirect\n0.670423 0.670424 0.340849 Ba\n0.329576 0.329576 0.659152 Ba\n-0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.862290 0.862291 0.724581 Sb\n0.137709 0.137709 0.275419 Sb\n0.500000 0.500000 0.000000 O\n",
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{
"id": "jvasp-78377",
"created_at": "2022-09-04T14:37:57.438207Z",
"updated_at": "2022-09-04T14:37:57.438227Z",
"structure_string": "Ge1 Te1\n1.0\n2.132419 3.693456 0.000000\n-2.132419 3.693456 0.000000\n0.000000 2.462305 3.482130\nGe Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Te\n",
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{
"id": "jvasp-32634",
"created_at": "2022-09-04T14:38:14.019605Z",
"updated_at": "2022-09-04T14:38:14.019626Z",
"structure_string": "Sb2 Cl2 O4 F12\n1.0\n5.737595 0.000000 0.000000\n0.000000 7.091002 0.172594\n0.000000 0.176385 7.126359\nSb Cl O F\n2 2 4 12\ndirect\n-0.007806 0.249999 0.750000 Sb\n0.007806 0.750000 0.250000 Sb\n0.629186 0.250000 0.250000 Cl\n0.370815 0.749999 0.750000 Cl\n0.499778 0.719025 0.918715 O\n0.500223 0.219026 0.418715 O\n0.500223 0.280974 0.081284 O\n0.499778 0.780974 0.581284 O\n0.756799 0.933242 0.212009 F\n0.001220 0.789651 0.513776 F\n0.243202 0.066757 0.787990 F\n-0.001220 0.289652 0.013777 F\n0.756799 0.566757 0.287990 F\n0.243202 0.433242 0.712010 F\n0.762713 0.057695 0.789493 F\n0.001220 0.710348 -0.013777 F\n0.237288 0.557695 0.289492 F\n0.762713 0.442304 0.710507 F\n-0.001220 0.210348 0.486223 F\n0.237288 0.942304 0.210507 F\n",
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{
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"created_at": "2022-09-04T14:37:18.610052Z",
"updated_at": "2022-09-04T14:37:18.610085Z",
"structure_string": "Ge4 Te4\n1.0\n6.032159 0.000000 0.000000\n0.000000 6.032159 0.000000\n0.000000 0.000000 6.032159\nGe Te\n4 4\ndirect\n0.500000 0.000000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.000000 0.000000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n0.500000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n",
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"formula_full": "Ge4 Te4",
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{
"id": "jvasp-12751",
"created_at": "2022-09-04T14:38:16.461314Z",
"updated_at": "2022-09-04T14:38:16.461334Z",
"structure_string": "Se4 O4 F8\n1.0\n5.447295 0.000000 0.000000\n0.000000 6.087027 0.000000\n0.000000 0.000000 7.498739\nSe O F\n4 4 8\ndirect\n0.460180 0.751813 0.810852 Se\n0.539819 0.251813 0.189148 Se\n0.039820 0.251813 0.810852 Se\n0.960179 0.751813 0.189148 Se\n0.267354 0.383801 0.906298 O\n0.232645 0.883801 0.906298 O\n0.767354 0.383801 0.093702 O\n0.732645 0.883801 0.093702 O\n0.128472 0.983034 0.275263 F\n0.628471 0.983034 0.724737 F\n0.871527 0.483034 0.724737 F\n0.371528 0.483034 0.275263 F\n0.833491 0.699354 0.402015 F\n0.166508 0.199354 0.597986 F\n0.666508 0.199354 0.402015 F\n0.333491 0.699354 0.597986 F\n",
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{
"id": "jvasp-122562",
"created_at": "2022-09-04T14:38:51.315254Z",
"updated_at": "2022-09-04T14:38:51.315283Z",
"structure_string": "Sn7 F1\n1.0\n6.468947 -0.000000 0.000000\n0.000000 6.468947 -0.000000\n0.000000 0.000000 6.468947\nSn F\n7 1\ndirect\n0.235192 0.235192 0.735192 Sn\n0.000000 0.500000 0.000000 Sn\n0.235192 0.764809 0.264808 Sn\n0.500000 0.000000 0.000000 Sn\n0.764809 0.235192 0.264808 Sn\n0.500000 0.500000 0.500000 Sn\n0.764809 0.764809 0.735192 Sn\n0.000000 0.000000 0.500000 F\n",
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{
"id": "jvasp-105502",
"created_at": "2022-09-04T14:36:49.022647Z",
"updated_at": "2022-09-04T14:36:49.022670Z",
"structure_string": "Ga2 Cu1 Ag1 Se4\n1.0\n5.308217 0.014424 -4.552923\n-1.112758 5.190294 -4.552923\n-0.011627 -0.014424 6.993293\nGa Cu Ag Se\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.500000 0.499999 -0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.249999 0.750000 0.500000 Ag\n0.645941 0.620666 0.503632 Se\n0.117034 0.142309 0.496368 Se\n0.857690 0.354058 0.974723 Se\n0.379333 0.882965 0.025276 Se\n",
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{
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"created_at": "2022-09-04T14:38:06.143588Z",
"updated_at": "2022-09-04T14:38:06.143609Z",
"structure_string": "Li4 Ga4 Se8\n1.0\n6.615319 0.000000 0.000000\n0.000000 6.909057 0.000000\n0.000000 0.000000 8.238141\nLi Ga Se\n4 4 8\ndirect\n0.120287 0.911983 0.622022 Li\n0.620287 0.088017 0.377978 Li\n0.620287 0.588017 0.122022 Li\n0.120287 0.411983 0.877978 Li\n0.622584 0.574566 0.625934 Ga\n0.122584 0.425434 0.374065 Ga\n0.122584 0.925435 0.125934 Ga\n0.622584 0.074566 0.874065 Ga\n0.502953 0.908937 0.631127 Se\n0.002953 0.091063 0.368873 Se\n0.002953 0.591064 0.131127 Se\n0.502953 0.408937 0.868872 Se\n0.992176 0.069713 0.878454 Se\n0.492176 0.930287 0.121546 Se\n0.492176 0.430287 0.378454 Se\n0.992176 0.569713 0.621546 Se\n",
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}