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{
"id": "jvasp-38249",
"created_at": "2022-09-04T14:38:02.838951Z",
"updated_at": "2022-09-04T14:38:02.838966Z",
"structure_string": "Rb3 Cd1\n1.0\n6.116435 0.000000 0.000000\n0.000000 6.116435 0.000000\n0.000000 -0.000000 6.116435\nRb Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n",
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{
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"structure_string": "Yb2 Cd1 Pb1\n1.0\n0.000000 3.787645 3.787645\n3.787645 0.000000 3.787645\n3.787645 3.787645 0.000000\nYb Cd Pb\n2 1 1\ndirect\n0.500002 0.500002 0.500002 Yb\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Pb\n",
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{
"id": "jvasp-20409",
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"structure_string": "Sr2 Ge2\n1.0\n4.207644 0.000000 -0.000000\n-0.000000 4.425836 -1.873188\n0.000000 0.009939 6.188602\nSr Ge\n2 2\ndirect\n0.749999 0.136921 0.273844 Sr\n0.250000 0.863080 0.726156 Sr\n0.749999 0.427592 0.855182 Ge\n0.250000 0.572409 0.144818 Ge\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.034684707025949425,
"volume": 115.32460104124254,
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"formula_full": "Sr2 Ge2",
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"spacegroup": 63
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{
"id": "jvasp-37928",
"created_at": "2022-09-04T14:38:02.847270Z",
"updated_at": "2022-09-04T14:38:02.847294Z",
"structure_string": "Ca1 Tl2 Cd1\n1.0\n-0.000000 3.769869 3.769869\n3.769869 -0.000000 3.769869\n3.769869 3.769869 -0.000000\nCa Tl Cd\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.750001 0.750001 0.750001 Cd\n",
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],
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"density_atomic": 0.0373294179581207,
"volume": 107.15409504877732,
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"formula_full": "Ca1 Tl2 Cd1",
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"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-41174",
"created_at": "2022-09-04T14:37:40.487299Z",
"updated_at": "2022-09-04T14:37:40.487314Z",
"structure_string": "Nd1 Mg1 Hg2\n1.0\n0.000000 3.648471 3.648471\n3.648471 0.000000 3.648471\n3.648471 3.648471 0.000000\nNd Mg Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Nd\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
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"density": 9.739871061971622,
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"volume": 97.13208057656877,
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"formula_full": "Nd1 Mg1 Hg2",
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"spacegroup": 225
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{
"id": "jvasp-37625",
"created_at": "2022-09-04T14:37:54.327740Z",
"updated_at": "2022-09-04T14:37:54.327760Z",
"structure_string": "Sr1 Tl1 Hg2\n1.0\n0.000000 3.833256 3.833256\n3.833256 0.000000 3.833256\n3.833256 3.833256 0.000000\nSr Tl Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Tl\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
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],
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"formula_full": "Sr1 Tl1 Hg2",
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{
"id": "jvasp-39911",
"created_at": "2022-09-04T14:37:51.635423Z",
"updated_at": "2022-09-04T14:37:51.635444Z",
"structure_string": "Yb1 Sn1 Au2\n1.0\n0.000000 3.498141 3.498141\n3.498141 0.000000 3.498141\n3.498141 3.498141 0.000000\nYb Sn Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250001 0.250001 0.250001 Sn\n0.500001 0.500001 0.500001 Au\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "jvasp-56276",
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"updated_at": "2022-09-04T14:37:51.632971Z",
"structure_string": "Yb1 In1 Cu4\n1.0\n4.396198 0.000000 2.538145\n1.465400 4.144775 2.538145\n-0.000000 -0.000000 5.076291\nYb In Cu\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Yb\n0.000000 0.000000 0.000000 In\n0.625146 0.124564 0.625146 Cu\n0.625146 0.625145 0.625147 Cu\n0.625146 0.625145 0.124565 Cu\n0.124564 0.625145 0.625146 Cu\n",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-5815",
"created_at": "2022-09-04T14:37:55.089155Z",
"updated_at": "2022-09-04T14:37:55.089186Z",
"structure_string": "Ga2 Pd1 I8\n1.0\n7.559239 -0.027943 0.558584\n0.291948 7.162682 3.631769\n-0.059509 0.109142 8.035144\nGa Pd I\n2 1 8\ndirect\n0.658474 0.211187 0.211187 Ga\n0.341526 0.788813 0.788813 Ga\n0.000000 0.000000 0.000000 Pd\n0.144854 0.656334 0.108566 I\n0.855146 0.891434 0.343665 I\n0.344596 0.158005 0.158004 I\n0.655404 0.841995 0.841995 I\n0.144854 0.108565 0.656334 I\n0.855146 0.343666 0.891434 I\n0.682150 0.392858 0.392857 I\n0.317851 0.607142 0.607142 I\n",
"nsites": 11,
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"elements": [
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"density_atomic": 0.02544003081730246,
"volume": 432.38941332251056,
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"formula_full": "Ga2 Pd1 I8",
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"formula_anonymous": "AB2C8",
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"spacegroup": 12
},
{
"id": "jvasp-41306",
"created_at": "2022-09-04T14:37:41.010720Z",
"updated_at": "2022-09-04T14:37:41.010742Z",
"structure_string": "Na1 Mg1 Pb2\n1.0\n0.000000 3.762868 3.762868\n3.762868 0.000000 3.762868\n3.762868 3.762868 0.000000\nNa Mg Pb\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
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},
{
"id": "jvasp-40290",
"created_at": "2022-09-04T14:37:52.609231Z",
"updated_at": "2022-09-04T14:37:52.609253Z",
"structure_string": "Sm1 Mg1 Hg2\n1.0\n-0.000000 3.613668 3.613668\n3.613668 -0.000000 3.613668\n3.613668 3.613668 0.000000\nSm Mg Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Sm\n0.249999 0.249999 0.249999 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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},
{
"id": "jvasp-39916",
"created_at": "2022-09-04T14:37:52.614230Z",
"updated_at": "2022-09-04T14:37:52.614240Z",
"structure_string": "Ca1 La1 Cd2\n1.0\n-0.000000 3.860746 3.860746\n3.860746 0.000000 3.860746\n3.860746 3.860746 0.000000\nCa La Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750002 0.750002 0.750002 La\n0.499999 0.499999 0.499999 Cd\n0.000000 0.000000 0.000000 Cd\n",
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}
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}