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{
"id": "jvasp-16623",
"created_at": "2022-09-04T14:37:45.958094Z",
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"structure_string": "Ti1 Tc1\n1.0\n3.099924 -0.000000 0.000000\n-0.000000 3.099924 -0.000000\n0.000000 -0.000000 3.099924\nTi Tc\n1 1\ndirect\n0.499999 0.499999 0.499999 Ti\n0.000000 0.000000 0.000000 Tc\n",
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{
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{
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"structure_string": "Ti3 Sn1\n1.0\n4.152459 0.000000 0.000000\n0.000000 4.152459 0.000000\n-0.000000 -0.000000 4.152459\nTi Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "jvasp-36224",
"created_at": "2022-09-04T14:36:46.674915Z",
"updated_at": "2022-09-04T14:36:46.674941Z",
"structure_string": "Ti2 Sn1\n1.0\n3.241030 3.241030 0.000000\n3.241030 0.000000 -3.241030\n0.000000 3.241030 -3.241030\nTi Sn\n2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Sn\n",
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"volume": 68.08934379408144,
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},
{
"id": "jvasp-122618",
"created_at": "2022-09-04T14:38:54.976120Z",
"updated_at": "2022-09-04T14:38:54.976157Z",
"structure_string": "Ti1 Sn7\n1.0\n6.566046 -0.000000 -0.000000\n-0.000000 6.566046 0.000000\n0.000000 -0.000000 6.566046\nTi Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Ti\n0.242494 0.242494 0.742495 Sn\n0.000000 0.500000 0.000000 Sn\n0.242494 0.757506 0.257506 Sn\n0.500000 0.000000 0.000000 Sn\n0.757506 0.242494 0.257506 Sn\n0.500000 0.500000 0.500000 Sn\n0.757506 0.757506 0.742495 Sn\n",
"nsites": 8,
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"elements": [
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"density": 5.155201765822699,
"density_atomic": 0.028260394763273248,
"volume": 283.08167904280907,
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"formula_full": "Ti1 Sn7",
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"spacegroup": 215
},
{
"id": "jvasp-98869",
"created_at": "2022-09-04T14:36:16.944531Z",
"updated_at": "2022-09-04T14:36:16.944558Z",
"structure_string": "Ti8 Sn12\n1.0\n5.743740 -0.000027 -1.713446\n0.000060 7.047057 0.000127\n0.000070 0.000169 10.483863\nTi Sn\n8 12\ndirect\n0.081397 0.454264 0.161621 Ti\n0.587235 0.250368 0.673317 Ti\n0.913857 0.750340 0.326431 Ti\n0.413873 0.750386 0.326437 Ti\n0.581394 0.046472 0.161614 Ti\n0.087240 0.250370 0.673324 Ti\n0.919687 0.546473 0.838136 Ti\n0.419684 0.954265 0.838144 Ti\n0.270693 0.750340 0.040127 Sn\n0.776230 0.572931 0.551257 Sn\n0.730366 0.250411 0.959624 Sn\n0.379287 0.574368 0.757421 Sn\n0.121785 0.074359 0.242330 Sn\n0.879299 0.926386 0.757426 Sn\n0.276219 0.927783 0.551247 Sn\n0.724886 0.072922 0.448505 Sn\n0.230381 0.250355 0.959630 Sn\n0.224885 0.427791 0.448507 Sn\n0.770688 0.750391 0.040124 Sn\n0.621790 0.426367 0.242343 Sn\n",
"nsites": 20,
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"elements": [
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"formula_full": "Ti8 Sn12",
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"spacegroup": 64
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{
"id": "jvasp-91528",
"created_at": "2022-09-04T14:36:16.026261Z",
"updated_at": "2022-09-04T14:36:16.026287Z",
"structure_string": "Ti6 Sn2\n1.0\n-0.000000 -0.000000 -4.742635\n-5.745534 -0.000000 -0.000000\n2.872766 5.240789 0.000000\nTi Sn\n6 2\ndirect\n0.750001 0.823401 0.646804 Ti\n0.250000 0.176598 0.353196 Ti\n0.750001 0.833357 0.146357 Ti\n0.250000 0.686999 0.853643 Ti\n0.250000 0.166642 0.853643 Ti\n0.750001 0.312999 0.146357 Ti\n0.750001 0.332666 0.665334 Sn\n0.250000 0.667333 0.334666 Sn\n",
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"formula_full": "Ti6 Sn2",
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"spacegroup": 63
},
{
"id": "jvasp-37039",
"created_at": "2022-09-04T14:35:47.538191Z",
"updated_at": "2022-09-04T14:35:47.538214Z",
"structure_string": "Ti3 Sn1\n1.0\n3.289745 3.289745 0.000000\n3.289745 0.000000 -3.289745\n-0.000000 3.289745 -3.289745\nTi Sn\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Sn\n",
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"volume": 71.20601841056033,
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"formula_full": "Ti3 Sn1",
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"spacegroup": 225
},
{
"id": "jvasp-17935",
"created_at": "2022-09-04T14:37:28.185757Z",
"updated_at": "2022-09-04T14:37:28.185785Z",
"structure_string": "Ti6 Sn2\n1.0\n2.946287 -5.103119 0.000000\n2.946287 5.103119 -0.000000\n0.000000 0.000000 4.752822\nTi Sn\n6 2\ndirect\n0.673410 0.836706 0.750000 Ti\n0.836706 0.673410 0.250000 Ti\n0.326591 0.163295 0.250000 Ti\n0.163295 0.326591 0.750000 Ti\n0.163295 0.836706 0.750000 Ti\n0.836706 0.163295 0.250000 Ti\n0.666668 0.333334 0.750000 Sn\n0.333334 0.666668 0.250000 Sn\n",
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"volume": 142.9197640758402,
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"spacegroup": 194
},
{
"id": "jvasp-23495",
"created_at": "2022-09-04T14:37:33.811001Z",
"updated_at": "2022-09-04T14:37:33.811022Z",
"structure_string": "Ti10 Sn6\n1.0\n4.031604 -6.982943 -0.000000\n4.031604 6.982943 -0.000000\n0.000000 0.000000 5.435944\nTi Sn\n10 6\ndirect\n-0.000000 0.758481 0.749999 Ti\n0.758481 0.758481 0.250000 Ti\n0.241518 -0.000000 0.250000 Ti\n0.758481 -0.000000 0.749999 Ti\n0.241518 0.241518 0.749999 Ti\n-0.000000 0.241518 0.250000 Ti\n0.333333 0.666666 0.000000 Ti\n0.666666 0.333333 0.500000 Ti\n0.666666 0.333333 0.000000 Ti\n0.333333 0.666666 0.500000 Ti\n-0.000000 0.390639 0.749999 Sn\n0.390639 0.390639 0.250000 Sn\n0.609360 -0.000000 0.250000 Sn\n0.390639 -0.000000 0.749999 Sn\n0.609360 0.609360 0.749999 Sn\n-0.000000 0.609360 0.250000 Sn\n",
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"formula_full": "Ti10 Sn6",
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},
{
"id": "jvasp-79554",
"created_at": "2022-09-04T14:38:01.731367Z",
"updated_at": "2022-09-04T14:38:01.731385Z",
"structure_string": "Ti2 Si2\n1.0\n3.642692 0.000000 -0.000000\n1.821345 -3.830014 2.120398\n1.821345 -3.830014 -2.120398\nTi Si\n2 2\ndirect\n0.000002 0.050772 0.949227 Ti\n0.500002 0.550773 0.449226 Ti\n0.749994 0.800735 0.699281 Si\n0.250009 0.300718 0.199264 Si\n",
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{
"id": "jvasp-26862",
"created_at": "2022-09-04T14:38:33.974086Z",
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"structure_string": "Ti20 Si16\n1.0\n6.730288 0.000000 -0.000000\n0.000000 6.730288 0.000000\n-0.000000 -0.000000 12.216544\nTi Si\n20 16\ndirect\n0.995433 0.149672 0.621631 Ti\n0.829530 0.829530 0.500000 Ti\n0.670471 0.329530 0.750000 Ti\n0.170470 0.170470 0.000000 Ti\n0.655217 0.996896 0.281401 Ti\n0.344784 0.003104 0.781401 Ti\n0.996896 0.655217 0.718599 Ti\n0.496896 0.844784 0.031401 Ti\n0.503104 0.155217 0.531401 Ti\n0.844784 0.496896 0.968599 Ti\n0.329530 0.670471 0.250000 Ti\n0.003104 0.344784 0.218599 Ti\n0.850328 0.004567 0.878369 Ti\n0.149672 0.995433 0.378369 Ti\n0.004567 0.850328 0.121631 Ti\n0.504567 0.649672 0.628369 Ti\n0.495433 0.350328 0.128369 Ti\n0.649672 0.504567 0.371631 Ti\n0.350328 0.495433 0.871631 Ti\n0.155217 0.503104 0.468599 Ti\n0.705427 0.642006 0.171435 Si\n0.205427 0.857994 0.578564 Si\n0.794573 0.142006 0.078565 Si\n0.857994 0.205427 0.421435 Si\n0.142006 0.794573 0.921435 Si\n0.294573 0.357994 0.671435 Si\n0.698470 0.956569 0.686470 Si\n0.543431 0.198470 0.936470 Si\n0.956569 0.698470 0.313529 Si\n0.456569 0.801530 0.436470 Si\n0.801530 0.456569 0.563529 Si\n0.198470 0.543431 0.063529 Si\n0.043431 0.301530 0.813529 Si\n0.357994 0.294573 0.328565 Si\n0.301530 0.043431 0.186470 Si\n0.642006 0.705427 0.828564 Si\n",
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