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{
"id": "jvasp-50536",
"created_at": "2022-09-04T14:37:09.372704Z",
"updated_at": "2022-09-04T14:37:09.372725Z",
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{
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"structure_string": "Al1 Ga1 Ru2\n1.0\n-8.847344 -0.000001 -5.108017\n-5.769445 0.278117 -0.223061\n-5.003369 2.444908 -1.549944\nAl Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 -0.000001 0.000000 Ga\n0.739932 -0.000002 0.000000 Ru\n0.260068 -0.000001 0.000000 Ru\n",
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},
{
"id": "jvasp-85110",
"created_at": "2022-09-04T14:37:09.449370Z",
"updated_at": "2022-09-04T14:37:09.449391Z",
"structure_string": "Sc2 Al1 Au1\n1.0\n-6.054114 -3.728852 -9.549811\n-4.054817 -2.423040 -1.940773\n-2.809676 1.121724 -4.114195\nSc Al Au\n2 1 1\ndirect\n0.750103 -0.000206 -0.000204 Sc\n0.249896 0.000203 0.000203 Sc\n0.000013 -0.000014 -0.000015 Al\n0.499988 0.000014 0.000017 Au\n",
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"elements": [
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"volume": 76.79108057432832,
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"formula_full": "Sc2 Al1 Au1",
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"spacegroup": 139
},
{
"id": "jvasp-80128",
"created_at": "2022-09-04T14:37:09.511252Z",
"updated_at": "2022-09-04T14:37:09.511279Z",
"structure_string": "Be1 Fe1 Pt2\n1.0\n-10.244341 2.044178 -2.063437\n-7.220233 0.412266 0.694391\n-6.222165 3.578470 -1.124245\nBe Fe Pt\n1 1 2\ndirect\n1.000009 0.999988 0.999991 Be\n0.499996 0.000003 1.000004 Fe\n0.701342 0.032437 0.032441 Pt\n0.298647 0.967571 0.967570 Pt\n",
"nsites": 4,
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"volume": 52.79923877826657,
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"formula_full": "Be1 Fe1 Pt2",
"formula_reduced": "BeFePt2",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-5320",
"created_at": "2022-09-04T14:37:09.530874Z",
"updated_at": "2022-09-04T14:37:09.530893Z",
"structure_string": "Zr2 Ti4 O2\n1.0\n4.587318 -0.056014 0.000000\n-2.244608 4.001044 0.000000\n0.000000 0.000000 6.769152\nZr Ti O\n2 4 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.666656 0.333345 0.716954 Ti\n0.333344 0.666655 0.283046 Ti\n0.333344 0.666655 0.716954 Ti\n0.666656 0.333345 0.283046 Ti\n0.333316 0.666683 0.000000 O\n0.666684 0.333317 0.000000 O\n",
"nsites": 8,
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"elements": [
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"volume": 123.39034789896863,
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"formula_full": "Zr2 Ti4 O2",
"formula_reduced": "ZrTi2O",
"formula_anonymous": "ABC2",
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"spacegroup": 191
},
{
"id": "jvasp-56768",
"created_at": "2022-09-04T14:37:09.540655Z",
"updated_at": "2022-09-04T14:37:09.540663Z",
"structure_string": "Pr2 Co2 C4\n1.0\n3.789480 -0.001973 -0.558164\n-0.082643 3.788579 -0.558164\n-0.021398 -0.021859 7.439227\nPr Co C\n2 2 4\ndirect\n0.075925 0.925529 0.497174 Pr\n0.925528 0.075925 0.997174 Pr\n0.370174 0.514884 0.804610 Co\n0.514884 0.370175 0.304610 Co\n0.849526 0.490785 0.724402 C\n0.442064 0.595115 0.072818 C\n0.595114 0.442063 0.572818 C\n0.490785 0.849527 0.224402 C\n",
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"elements": [
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"density": 6.967187036281931,
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"volume": 106.70935096861037,
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"formula_full": "Pr2 Co2 C4",
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"spacegroup": 9
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{
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"updated_at": "2022-09-04T14:37:09.543913Z",
"structure_string": "Sr1 Ca1 Ag2\n1.0\n-12.452187 2.380669 -3.301667\n-9.252249 0.244247 0.417955\n-7.704697 4.621401 -2.262495\nSr Ca Ag\n1 1 2\ndirect\n0.500001 -0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n0.749487 0.000249 0.000248 Ag\n0.250514 -0.000250 -0.000249 Ag\n",
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],
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"formula_full": "Sr1 Ca1 Ag2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-102136",
"created_at": "2022-09-04T14:37:09.594421Z",
"updated_at": "2022-09-04T14:37:09.594432Z",
"structure_string": "Yb2 Tl1 Hg1\n1.0\n4.579457 0.000000 2.643950\n1.526485 4.317553 2.643950\n0.000000 0.000000 5.287902\nYb Tl Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750001 0.749999 0.749999 Yb\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 0.499999 Hg\n",
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"elements": [
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"Hg"
],
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"formula_full": "Yb2 Tl1 Hg1",
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"spacegroup": 225
},
{
"id": "jvasp-49861",
"created_at": "2022-09-04T14:37:09.707481Z",
"updated_at": "2022-09-04T14:37:09.707507Z",
"structure_string": "Li2 Lu2 O4\n1.0\n0.000000 4.348684 0.000000\n2.174342 -2.174342 4.961984\n4.348684 0.000000 0.000000\nLi Lu O\n2 2 4\ndirect\n0.250000 0.500000 0.250000 Li\n0.499999 0.000000 0.499999 Li\n0.000000 0.000000 0.000000 Lu\n0.749999 0.500000 0.749999 Lu\n0.774372 0.548745 0.225627 O\n0.225627 0.451254 0.774372 O\n0.524372 0.048746 0.975627 O\n0.975627 0.951253 0.524372 O\n",
"nsites": 8,
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],
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"volume": 93.83634008622899,
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"formula_full": "Li2 Lu2 O4",
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},
{
"id": "jvasp-51333",
"created_at": "2022-09-04T14:37:09.655625Z",
"updated_at": "2022-09-04T14:37:09.655645Z",
"structure_string": "In1 Co1 Si2\n1.0\n-0.000001 3.188842 3.188842\n3.188842 -0.000000 3.188842\n3.188842 3.188842 -0.000000\nIn Co Si\n1 1 2\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Co\n0.749999 0.750000 0.750000 Si\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
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},
{
"id": "jvasp-80906",
"created_at": "2022-09-04T14:37:09.836656Z",
"updated_at": "2022-09-04T14:37:09.836680Z",
"structure_string": "Ti1 Cd1 Au2\n1.0\n-10.778183 2.330538 -2.416212\n-7.819351 1.437262 0.982308\n-6.909982 4.008491 -0.592334\nTi Cd Au\n1 1 2\ndirect\n-0.000000 0.000000 -0.000000 Ti\n0.499999 0.000000 0.000001 Cd\n0.702083 0.038302 0.038269 Au\n0.297916 -0.038302 -0.038268 Au\n",
"nsites": 4,
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{
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"created_at": "2022-09-04T14:37:09.706058Z",
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"structure_string": "Sc1 Si1 Ru2\n1.0\n-5.338945 -0.407037 -8.690192\n-3.527976 0.093246 -0.879593\n-2.967754 2.266403 -2.891510\nSc Si Ru\n1 1 2\ndirect\n0.521036 -0.073016 0.030894 Sc\n0.026955 0.174151 -0.227998 Si\n0.754985 -0.190036 0.180039 Ru\n0.197025 0.088900 0.017064 Ru\n",
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