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{
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{
"id": "jvasp-311",
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"updated_at": "2022-09-04T14:36:46.026898Z",
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{
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{
"id": "jvasp-43546",
"created_at": "2022-09-04T14:35:56.396754Z",
"updated_at": "2022-09-04T14:35:56.396775Z",
"structure_string": "Ti8 O12\n1.0\n5.108921 -0.000702 0.000129\n-2.553575 4.425214 0.000302\n-0.000504 -0.001197 9.655532\nTi O\n8 12\ndirect\n0.333337 0.666738 0.023254 Ti\n0.333366 0.666617 0.750000 Ti\n0.000006 0.999992 0.999998 Ti\n0.000008 0.000004 0.500002 Ti\n0.333287 0.666719 0.476746 Ti\n0.666652 0.333382 0.250000 Ti\n0.666685 0.333245 0.976743 Ti\n0.666735 0.333299 0.523257 Ti\n0.975035 0.652458 0.117952 O\n0.024934 0.677373 0.617965 O\n0.677387 0.024936 0.117971 O\n0.652458 0.975025 0.617967 O\n0.975085 0.322641 0.382039 O\n0.677403 0.652495 0.382083 O\n0.347522 0.322614 0.117919 O\n0.322616 0.347515 0.617917 O\n0.322632 0.975053 0.882029 O\n0.652496 0.677368 0.882076 O\n0.024984 0.347526 0.882044 O\n0.347560 0.024990 0.382037 O\n",
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"spacegroup": 163
},
{
"id": "jvasp-109828",
"created_at": "2022-09-04T14:38:27.084260Z",
"updated_at": "2022-09-04T14:38:27.084272Z",
"structure_string": "Ti4 O6\n1.0\n2.996645 -0.000000 0.000000\n0.000000 4.997986 1.005764\n-0.000000 -0.041493 7.319593\nTi O\n4 6\ndirect\n0.750001 0.837404 0.655208 Ti\n0.750001 0.735348 0.024406 Ti\n0.250000 0.264653 0.975593 Ti\n0.250000 0.162598 0.344791 Ti\n0.250000 0.937614 0.844279 O\n0.250000 0.785195 0.498343 O\n0.750001 0.482674 0.831269 O\n0.250000 0.517327 0.168729 O\n0.750001 0.214806 0.501656 O\n0.750001 0.062387 0.155720 O\n",
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"volume": 109.75198979032956,
"volume_molar": 6.6094193120744755,
"formula_full": "Ti4 O6",
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"formula_anonymous": "A2B3",
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"spacegroup": 11
},
{
"id": "jvasp-20308",
"created_at": "2022-09-04T14:37:42.865873Z",
"updated_at": "2022-09-04T14:37:42.865898Z",
"structure_string": "Ti4 O6\n1.0\n4.564290 0.050898 3.101500\n1.668921 4.248534 3.101500\n0.073791 0.050898 5.517844\nTi O\n4 6\ndirect\n0.346045 0.346045 0.346045 Ti\n0.153955 0.153955 0.153955 Ti\n0.653954 0.653955 0.653954 Ti\n0.846045 0.846045 0.846045 Ti\n0.562305 0.937694 0.250000 O\n0.250000 0.562305 0.937694 O\n0.937694 0.250000 0.562305 O\n0.437694 0.062306 0.749999 O\n0.750000 0.437695 0.062305 O\n0.062305 0.749999 0.437695 O\n",
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"volume": 105.11304166439997,
"volume_molar": 6.330055326147613,
"formula_full": "Ti4 O6",
"formula_reduced": "Ti2O3",
"formula_anonymous": "A2B3",
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"spacegroup": 167
},
{
"id": "jvasp-118341",
"created_at": "2022-09-04T14:38:38.964075Z",
"updated_at": "2022-09-04T14:38:38.964108Z",
"structure_string": "Ti2 O3 F1\n1.0\n2.974585 0.000000 0.000000\n0.000000 3.250099 3.437730\n0.000000 -3.250099 3.437730\nTi O F\n2 3 1\ndirect\n0.000000 0.017291 0.017291 Ti\n0.500001 0.479864 0.479864 Ti\n0.500001 0.201774 0.201774 O\n0.000000 0.301120 0.699255 O\n0.000000 0.699255 0.301120 O\n0.500001 0.800697 0.800697 F\n",
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"elements": [
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"O",
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"volume": 66.46985531070322,
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"formula_full": "Ti2 O3 F1",
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"spacegroup": 38
},
{
"id": "jvasp-80184",
"created_at": "2022-09-04T14:37:15.714123Z",
"updated_at": "2022-09-04T14:37:15.714151Z",
"structure_string": "Ti2 Os1 Rh1\n1.0\n-8.342774 0.000001 -4.816701\n-5.551369 0.273823 -0.018148\n-4.760461 2.510848 -1.388041\nTi Os Rh\n2 1 1\ndirect\n0.752007 -0.000000 -0.000000 Ti\n0.247993 -0.000000 -0.000000 Ti\n0.500000 -0.000000 -0.000000 Os\n0.000000 0.000000 0.000000 Rh\n",
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"density_atomic": 0.0628433458774272,
"volume": 63.65033471963444,
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"formula_full": "Ti2 Os1 Rh1",
"formula_reduced": "Ti2OsRh",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-109608",
"created_at": "2022-09-04T14:38:00.277136Z",
"updated_at": "2022-09-04T14:38:00.277166Z",
"structure_string": "Ti2 Os1 Rh1\n1.0\n3.793147 -0.000000 2.189974\n1.264382 3.576213 2.189974\n-0.000000 -0.000000 4.379949\nTi Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.749999 0.749999 Ti\n0.500000 0.500000 0.499999 Os\n0.000000 0.000000 0.000000 Rh\n",
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},
{
"id": "jvasp-80025",
"created_at": "2022-09-04T14:36:51.011465Z",
"updated_at": "2022-09-04T14:36:51.011481Z",
"structure_string": "Ti2 Os1 Ru1\n1.0\n0.000000 3.087512 3.087512\n3.087512 -0.000000 3.087512\n3.087512 3.087512 0.000000\nTi Os Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 Os\n0.750001 0.750001 0.750001 Ru\n",
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},
{
"id": "jvasp-17788",
"created_at": "2022-09-04T14:38:12.146422Z",
"updated_at": "2022-09-04T14:38:12.146453Z",
"structure_string": "Ti4 Pb2 C2\n1.0\n1.614540 -2.796466 -0.000000\n1.614540 2.796466 0.000000\n-0.000000 -0.000000 13.943705\nTi Pb C\n4 2 2\ndirect\n0.666667 0.333333 0.577481 Ti\n0.333333 0.666667 0.422519 Ti\n0.333333 0.666667 0.077481 Ti\n0.666667 0.333333 0.922519 Ti\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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},
{
"id": "jvasp-17189",
"created_at": "2022-09-04T14:37:52.802789Z",
"updated_at": "2022-09-04T14:37:52.802800Z",
"structure_string": "Ti2 Pd1\n1.0\n2.979076 0.000000 -0.902184\n-0.273217 2.966521 -0.902184\n0.017955 0.019684 5.428943\nTi Pd\n2 1\ndirect\n0.664686 0.664685 0.329373 Ti\n0.335313 0.335313 0.670628 Ti\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Ti2 Pd1",
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"spacegroup": 139
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{
"id": "jvasp-30920",
"created_at": "2022-09-04T14:38:36.541299Z",
"updated_at": "2022-09-04T14:38:36.541326Z",
"structure_string": "Ti4 Pd6\n1.0\n4.626837 0.000000 -0.000000\n-0.000000 4.486736 -1.452788\n-0.000000 -0.035343 7.545574\nTi Pd\n4 6\ndirect\n0.750000 0.336380 0.215735 Ti\n0.250000 0.663622 0.784265 Ti\n0.750000 0.120645 0.784265 Ti\n0.250000 0.879356 0.215735 Ti\n0.250000 0.087616 0.610951 Pd\n0.750000 0.912385 0.389048 Pd\n0.750000 0.523337 0.610951 Pd\n0.250000 0.476665 0.389048 Pd\n0.750000 0.706044 -0.000000 Pd\n0.250000 0.293957 -0.000000 Pd\n",
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"formula_full": "Ti4 Pd6",
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"spacegroup": 63
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}