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{
"id": "jvasp-117640",
"created_at": "2022-09-04T14:38:46.740317Z",
"updated_at": "2022-09-04T14:38:46.740345Z",
"structure_string": "Be1 Br2\n1.0\n5.002502 0.000000 0.000000\n-2.501251 4.332294 0.000000\n-0.000000 0.000000 3.945049\nBe Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.333333 0.666666 0.000000 Br\n0.666667 0.333333 0.000000 Br\n",
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{
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"structure_string": "Ho2 Se4\n1.0\n4.060075 0.000000 -0.000000\n0.000000 4.060075 0.000000\n0.000000 0.000000 8.251946\nHo Se\n2 4\ndirect\n0.499999 0.000000 0.726554 Ho\n0.000000 0.499999 0.273447 Ho\n0.499999 0.000000 0.369742 Se\n0.000000 0.499999 0.630258 Se\n0.499999 0.499999 0.000000 Se\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-23756",
"created_at": "2022-09-04T14:37:39.073719Z",
"updated_at": "2022-09-04T14:37:39.073743Z",
"structure_string": "Tb4 Ga4 Pt4\n1.0\n4.431551 -0.000000 0.000000\n-0.000000 6.921147 0.000000\n0.000000 0.000000 7.707474\nTb Ga Pt\n4 4 4\ndirect\n0.750000 0.514719 0.801045 Tb\n0.250000 0.985281 0.301045 Tb\n0.250000 0.485281 0.198955 Tb\n0.750000 0.014719 0.698954 Tb\n0.750000 0.673347 0.423560 Ga\n0.250000 0.326653 0.576439 Ga\n0.750000 0.173347 0.076440 Ga\n0.250000 0.826653 0.923560 Ga\n0.250000 0.724359 0.596759 Pt\n0.250000 0.224359 0.903241 Pt\n0.750000 0.775642 0.096759 Pt\n0.750000 0.275641 0.403241 Pt\n",
"nsites": 12,
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"elements": [
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"volume": 236.39914066178076,
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{
"id": "jvasp-32309",
"created_at": "2022-09-04T14:36:11.335600Z",
"updated_at": "2022-09-04T14:36:11.335617Z",
"structure_string": "Ta2 Te2 Br18\n1.0\n6.599774 -0.034666 0.000000\n-2.238506 9.673726 0.000000\n0.000000 0.000000 11.386106\nTa Te Br\n2 2 18\ndirect\n0.636832 0.136265 0.750000 Ta\n0.363166 0.863735 0.250000 Ta\n0.758792 0.540005 0.750000 Te\n0.241207 0.459995 0.250000 Te\n0.965503 0.676600 0.581239 Br\n0.034496 0.323400 0.081239 Br\n0.034496 0.323400 0.418761 Br\n0.965503 0.676600 0.918761 Br\n0.756858 0.009367 0.590106 Br\n0.243141 0.990633 0.090106 Br\n0.243141 0.990633 0.409894 Br\n0.533548 0.306411 0.594335 Br\n0.001924 0.314402 0.750000 Br\n0.543501 0.339269 0.250000 Br\n0.456497 0.660731 0.750000 Br\n0.722922 0.000114 0.250000 Br\n0.277077 -0.000115 0.750000 Br\n0.533548 0.306411 0.905666 Br\n0.466451 0.693589 0.405665 Br\n0.466451 0.693589 0.094335 Br\n-0.001924 0.685599 0.250000 Br\n0.756858 0.009367 0.909895 Br\n",
"nsites": 22,
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"elements": [
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"density": 4.7007673262098475,
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"formula_full": "Ta2 Te2 Br18",
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{
"id": "jvasp-59039",
"created_at": "2022-09-04T14:38:31.785185Z",
"updated_at": "2022-09-04T14:38:31.785201Z",
"structure_string": "Ta2 Te2 Br18\n1.0\n0.000000 6.599807 0.018754\n11.386083 0.000000 0.000000\n0.000000 -2.261818 -9.668311\nTa Te Br\n2 2 18\ndirect\n0.636830 0.250000 0.136263 Ta\n0.363170 0.750000 0.863737 Ta\n0.758791 0.250000 0.540005 Te\n0.241209 0.750000 0.459996 Te\n0.965504 0.418761 0.676599 Br\n0.034496 0.918760 0.323401 Br\n0.243143 0.590105 0.990634 Br\n0.756857 0.090105 0.009367 Br\n0.756857 0.409895 0.009367 Br\n0.243143 0.909895 0.990634 Br\n0.001922 0.250000 0.314399 Br\n-0.001922 0.750000 0.685601 Br\n0.543507 0.750000 0.339272 Br\n0.965504 0.081239 0.676599 Br\n0.277071 0.250000 -0.000115 Br\n0.722929 0.750000 0.000115 Br\n0.466454 0.905666 0.693591 Br\n0.533546 0.405666 0.306410 Br\n0.533546 0.094334 0.306410 Br\n0.466454 0.594334 0.693591 Br\n0.456494 0.250000 0.660728 Br\n0.034496 0.581239 0.323401 Br\n",
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"elements": [
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"volume": 726.051441352184,
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"formula_full": "Ta2 Te2 Br18",
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"formula_anonymous": "ABC9",
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"spacegroup": 11
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{
"id": "jvasp-18798",
"created_at": "2022-09-04T14:36:57.544642Z",
"updated_at": "2022-09-04T14:36:57.544664Z",
"structure_string": "Sm1 Ga2 Pd2\n1.0\n3.988940 -0.000000 -1.497173\n-0.561935 3.949161 -1.497173\n-0.017108 -0.019714 6.016901\nSm Ga Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.620612 0.620613 0.241227 Ga\n0.379386 0.379388 0.758773 Ga\n0.249999 0.750000 0.500000 Pd\n0.749999 0.250001 0.500000 Pd\n",
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"density": 8.82787921540693,
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"formula_anonymous": "AB2C2",
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{
"id": "jvasp-20859",
"created_at": "2022-09-04T14:38:34.539174Z",
"updated_at": "2022-09-04T14:38:34.539199Z",
"structure_string": "Ag2 Te8 Au2\n1.0\n0.000000 9.014416 0.054644\n4.502062 0.000000 0.000000\n0.000000 -5.753913 -8.551847\nAg Te Au\n2 8 2\ndirect\n0.500001 0.488826 0.750001 Ag\n0.500001 0.511173 0.250000 Ag\n0.808673 0.412507 0.546832 Te\n0.191328 0.412507 0.953169 Te\n0.299523 0.971914 0.297005 Te\n0.700478 0.971914 0.202996 Te\n0.700479 0.028085 0.702996 Te\n0.299523 0.028085 0.797005 Te\n0.808673 0.587492 0.046832 Te\n0.191328 0.587492 0.453169 Te\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:37:44.401524Z",
"updated_at": "2022-09-04T14:37:44.401554Z",
"structure_string": "Sr1 Ga2 H2\n1.0\n4.396010 0.000014 0.000002\n-2.197993 3.807034 0.000005\n-0.000012 0.000008 4.721527\nSr Ga H\n1 2 2\ndirect\n0.999959 0.999997 -0.000002 Sr\n0.333301 0.666671 0.466748 Ga\n0.666622 0.333327 0.533251 Ga\n0.333293 0.666666 0.105206 H\n0.666629 0.333334 0.894792 H\n",
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{
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"created_at": "2022-09-04T14:38:00.220088Z",
"updated_at": "2022-09-04T14:38:00.220109Z",
"structure_string": "Sm2 Al1 Zn1\n1.0\n-0.000000 3.660545 3.660545\n3.660545 0.000000 3.660545\n3.660545 3.660545 0.000000\nSm Al Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500001 0.500001 Sm\n0.250000 0.250000 0.250000 Al\n0.750001 0.750001 0.750001 Zn\n",
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{
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"updated_at": "2022-09-04T14:38:45.691037Z",
"structure_string": "Pb2 S1\n1.0\n3.714744 0.000000 0.000000\n0.000000 3.418315 0.000000\n0.000000 0.000000 7.528191\nPb S\n2 1\ndirect\n-0.033328 0.000000 0.729954 Pb\n-0.033328 0.000000 0.270045 Pb\n0.466655 0.000000 0.000000 S\n",
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{
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"structure_string": "Sr1 Te1 O1\n1.0\n5.151574 -0.000000 -0.000000\n-2.575787 4.461394 0.000000\n0.000000 0.000000 4.733511\nSr Te O\n1 1 1\ndirect\n0.333332 0.666665 0.000000 Sr\n0.666665 0.333333 0.000000 Te\n0.000000 0.000000 0.000000 O\n",
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}