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"id": "jvasp-79451",
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"structure_string": "Mn1 H1 O2\n1.0\n-0.700421 2.376961 -1.508519\n-2.131023 -2.381137 0.027000\n-0.712039 2.386217 4.092631\nMn H O\n1 1 2\ndirect\n0.075216 0.053229 0.019451 Mn\n0.581306 0.065530 0.554514 H\n0.651699 0.206370 0.782373 O\n0.487007 0.876673 0.228447 O\n",
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{
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"structure_string": "B2 H2 C2\n1.0\n2.702937 -0.000000 0.000000\n-1.351469 2.340812 -0.000000\n0.000000 0.000000 5.970344\nB H C\n2 2 2\ndirect\n0.666667 0.333333 0.250000 B\n0.333333 0.666667 0.750000 B\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.666667 0.333333 0.750000 C\n0.333333 0.666667 0.250000 C\n",
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{
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"structure_string": "Sm1 H3\n1.0\n-0.000000 2.662513 2.662513\n2.662513 -0.000000 2.662513\n2.662513 2.662513 0.000000\nSm H\n1 3\ndirect\n0.749999 0.749999 0.749999 Sm\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n0.249999 0.249999 0.249999 H\n",
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{
"id": "jvasp-16610",
"created_at": "2022-09-04T14:37:54.315307Z",
"updated_at": "2022-09-04T14:37:54.315336Z",
"structure_string": "Zr1 Pt1\n1.0\n3.354295 0.000000 -0.000000\n-0.000000 3.354295 0.000000\n-0.000000 -0.000000 3.354295\nZr Pt\n1 1\ndirect\n0.499999 0.499999 0.499999 Zr\n0.000000 0.000000 0.000000 Pt\n",
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"volume": 37.74016238433122,
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"formula_full": "Zr1 Pt1",
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},
{
"id": "jvasp-120927",
"created_at": "2022-09-04T14:38:54.389684Z",
"updated_at": "2022-09-04T14:38:54.389712Z",
"structure_string": "Cd1 C2 N1\n1.0\n2.671776 0.000000 -0.000000\n0.000000 2.671776 0.000000\n0.000000 -0.000000 5.285827\nCd C N\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Cd\n0.000000 0.500001 0.165098 C\n0.500001 0.000000 -0.165098 C\n0.000000 0.000000 0.000000 N\n",
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"elements": [
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"density": 6.620591473214895,
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{
"id": "jvasp-78877",
"created_at": "2022-09-04T14:37:18.868416Z",
"updated_at": "2022-09-04T14:37:18.868446Z",
"structure_string": "Li1 Co1 F2\n1.0\n2.970279 0.186225 5.028055\n1.516005 2.561048 5.028055\n0.304106 0.186225 5.831931\nLi Co F\n1 1 2\ndirect\n0.500002 0.500003 0.499997 Li\n0.000000 0.000000 0.000000 Co\n0.234315 0.234313 0.234312 F\n0.765690 0.765690 0.765684 F\n",
"nsites": 4,
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{
"id": "jvasp-79545",
"created_at": "2022-09-04T14:37:56.353793Z",
"updated_at": "2022-09-04T14:37:56.353816Z",
"structure_string": "Ga1 C3\n1.0\n3.353735 0.000000 0.000000\n0.000000 3.353735 -0.000000\n0.000000 -0.000000 3.353735\nGa C\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.499999 0.499999 C\n0.499999 0.000000 0.499999 C\n0.499999 0.499999 0.000000 C\n",
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{
"id": "jvasp-7842",
"created_at": "2022-09-04T14:36:59.300762Z",
"updated_at": "2022-09-04T14:36:59.300792Z",
"structure_string": "Al1 Cr2\n1.0\n2.802135 -0.000000 -0.919656\n-0.301830 2.785831 -0.919656\n0.027108 0.030204 4.811386\nAl Cr\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.315076 0.315075 0.630154 Cr\n0.684922 0.684923 0.369845 Cr\n",
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},
{
"id": "jvasp-78563",
"created_at": "2022-09-04T14:37:10.205927Z",
"updated_at": "2022-09-04T14:37:10.205943Z",
"structure_string": "Mg1 Ti1\n1.0\n2.889115 0.000000 0.000000\n-1.444558 2.502047 0.000000\n-0.000000 0.000000 5.216616\nMg Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.500000 Ti\n",
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},
{
"id": "jvasp-87128",
"created_at": "2022-09-04T14:35:42.121048Z",
"updated_at": "2022-09-04T14:35:42.121073Z",
"structure_string": "Co2 O2\n1.0\n2.860301 0.000001 4.312070\n1.300138 2.547737 4.312070\n0.000002 0.000001 5.174483\nCo O\n2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
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},
{
"id": "jvasp-113646",
"created_at": "2022-09-04T14:38:47.997522Z",
"updated_at": "2022-09-04T14:38:47.997545Z",
"structure_string": "Al1 H1 O1\n1.0\n3.364259 -0.000000 -0.000000\n-1.682130 2.913534 -0.000000\n0.000000 0.000000 3.845451\nAl H O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666666 0.000000 H\n0.666667 0.333333 0.000000 O\n",
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{
"id": "jvasp-78687",
"created_at": "2022-09-04T14:37:01.705785Z",
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"structure_string": "Cu1 O2\n1.0\n2.768930 -0.000000 0.611861\n1.384465 3.035540 0.305931\n0.440035 -0.000000 4.579872\nCu O\n1 2\ndirect\n0.750000 0.500000 0.499999 Cu\n0.120376 0.500000 0.759246 O\n0.379624 0.500000 0.240753 O\n",
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