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{
"id": "jvasp-92258",
"created_at": "2022-09-04T14:35:54.646483Z",
"updated_at": "2022-09-04T14:35:54.646508Z",
"structure_string": "Er2 Cl6\n1.0\n8.954461 -0.000000 0.000000\n-4.477230 7.754790 0.000000\n0.000000 -0.000000 3.553786\nEr Cl\n2 6\ndirect\n0.333334 0.666668 0.750002 Er\n0.666667 0.333334 0.250001 Er\n0.207733 0.415467 0.250001 Cl\n0.584531 0.792266 0.250001 Cl\n0.207733 0.792266 0.250001 Cl\n0.792267 0.584533 0.750002 Cl\n0.415467 0.207733 0.750002 Cl\n0.792266 0.207733 0.750002 Cl\n",
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{
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"structure_string": "Be26 Sb2\n1.0\n6.312790 0.000000 3.644691\n2.104264 5.951756 3.644691\n-0.000000 -0.000000 7.289382\nBe Sb\n26 2\ndirect\n0.931839 0.285519 0.714481 Be\n0.068161 0.714482 0.285518 Be\n0.214481 0.431839 0.568161 Be\n0.431838 0.568162 0.214481 Be\n0.568161 0.214482 0.431839 Be\n0.214481 0.568162 0.785518 Be\n0.214481 0.785519 0.431839 Be\n0.785518 0.568162 0.431839 Be\n0.285518 0.714482 0.931838 Be\n0.285519 0.068161 0.714481 Be\n0.068160 0.931839 0.714481 Be\n0.714481 0.931839 0.285518 Be\n0.931838 0.714482 0.068161 Be\n0.714481 0.285519 0.068161 Be\n0.931839 0.068161 0.285518 Be\n0.068161 0.285519 0.931838 Be\n0.785518 0.431839 0.214481 Be\n0.431838 0.785519 0.568161 Be\n0.431839 0.214482 0.785518 Be\n0.568161 0.785519 0.214481 Be\n0.785518 0.214482 0.568161 Be\n0.568161 0.431839 0.785518 Be\n0.285518 0.931839 0.068161 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.714481 0.068161 0.931838 Be\n0.749999 0.750001 0.750000 Sb\n0.250000 0.250000 0.250000 Sb\n",
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{
"id": "jvasp-99373",
"created_at": "2022-09-04T14:36:00.972952Z",
"updated_at": "2022-09-04T14:36:00.972979Z",
"structure_string": "Ga3 Sb1\n1.0\n3.964914 -0.423107 -3.476641\n-1.093201 3.834641 -3.476641\n0.356157 0.423107 5.261248\nGa Sb\n3 1\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500001 Ga\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"volume": 90.27110012157048,
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{
"id": "jvasp-94401",
"created_at": "2022-09-04T14:36:05.047774Z",
"updated_at": "2022-09-04T14:36:05.047795Z",
"structure_string": "Mg5 Ti1\n1.0\n5.474817 -0.000000 0.000000\n-2.737407 4.741329 -0.000000\n-0.000000 0.000000 5.019113\nMg Ti\n5 1\ndirect\n0.673072 0.000000 0.000000 Mg\n0.326929 0.326929 0.000000 Mg\n-0.000000 0.673071 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.000000 0.000000 0.500000 Ti\n",
"nsites": 6,
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{
"id": "jvasp-87026",
"created_at": "2022-09-04T14:35:48.459787Z",
"updated_at": "2022-09-04T14:35:48.459805Z",
"structure_string": "As4 Pd8\n1.0\n3.297836 0.000000 -0.635328\n0.000000 6.681183 0.000000\n-0.027704 -0.000000 8.732987\nAs Pd\n4 8\ndirect\n0.204504 0.229378 0.409005 As\n0.795499 0.729377 0.590996 As\n0.558434 0.698301 0.116866 As\n0.441569 0.198301 0.883135 As\n0.673048 0.959057 0.346095 Pd\n0.326955 0.459057 0.653906 Pd\n0.414800 0.827183 0.829599 Pd\n0.585202 0.327183 0.170401 Pd\n0.171967 0.606414 0.343932 Pd\n0.828036 0.106414 0.656068 Pd\n0.962771 0.493966 0.925538 Pd\n0.037231 0.993966 0.074463 Pd\n",
"nsites": 12,
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{
"id": "jvasp-97895",
"created_at": "2022-09-04T14:35:53.528149Z",
"updated_at": "2022-09-04T14:35:53.528169Z",
"structure_string": "Tc8 Br32\n1.0\n6.385551 0.000000 0.000000\n-0.000000 12.223724 0.000000\n0.000000 0.000000 14.864993\nTc Br\n8 32\ndirect\n0.405617 0.629871 0.178555 Tc\n0.594383 0.370129 0.821445 Tc\n0.905617 0.870128 0.821445 Tc\n0.594383 0.129871 0.321445 Tc\n0.405617 0.870128 0.678555 Tc\n0.094383 0.129871 0.178555 Tc\n0.905617 0.629871 0.321445 Tc\n0.094383 0.370129 0.678555 Tc\n0.442064 0.251815 0.431987 Br\n0.234234 0.988201 0.808902 Br\n0.557935 0.751815 0.068013 Br\n0.057936 0.748185 0.931987 Br\n0.746351 0.007297 0.431844 Br\n0.942064 0.251815 0.068013 Br\n0.734234 0.988201 0.691098 Br\n0.765766 0.488201 0.691098 Br\n0.576943 0.752589 0.808647 Br\n0.423057 0.247411 0.191353 Br\n0.765766 0.011798 0.191098 Br\n0.234234 0.511798 0.308902 Br\n0.253649 0.992702 0.568156 Br\n0.265766 0.011798 0.308902 Br\n0.253649 0.507297 0.068156 Br\n0.076943 0.752589 0.691353 Br\n0.442064 0.248185 0.931987 Br\n0.734234 0.511798 0.191098 Br\n0.746351 0.492702 0.931844 Br\n0.923057 0.252589 0.808647 Br\n0.942064 0.248185 0.568012 Br\n0.923057 0.247411 0.308647 Br\n0.246351 0.007297 0.068156 Br\n0.057936 0.751815 0.431987 Br\n0.246351 0.492702 0.568156 Br\n0.753649 0.507297 0.431844 Br\n0.076943 0.747410 0.191353 Br\n0.557935 0.748185 0.568012 Br\n0.753649 0.992702 0.931844 Br\n0.265766 0.488201 0.808902 Br\n0.576943 0.747410 0.308647 Br\n0.423057 0.252589 0.691353 Br\n",
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"elements": [
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"density": 4.78133960489671,
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"volume": 1160.2901950357593,
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"formula_full": "Tc8 Br32",
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{
"id": "jvasp-15002",
"created_at": "2022-09-04T14:36:00.239248Z",
"updated_at": "2022-09-04T14:36:00.239271Z",
"structure_string": "Mn4 P4\n1.0\n3.190995 0.000000 0.000000\n0.000000 5.220377 0.000000\n0.000000 0.000000 5.850629\nMn P\n4 4\ndirect\n0.250000 0.503615 0.696907 Mn\n0.750001 0.496385 0.303093 Mn\n0.250000 0.003615 0.803093 Mn\n0.750001 0.996386 0.196907 Mn\n0.250000 0.691744 0.072089 P\n0.750001 0.308256 0.927911 P\n0.250000 0.191744 0.427911 P\n0.750001 0.808257 0.572089 P\n",
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"volume": 97.46092990077607,
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{
"id": "jvasp-28353",
"created_at": "2022-09-04T14:35:48.856990Z",
"updated_at": "2022-09-04T14:35:48.857016Z",
"structure_string": "Co1 Te2\n1.0\n3.782453 -0.000003 -0.000311\n-1.891229 3.275706 -0.000000\n-0.000383 -0.000221 5.597381\nCo Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.666580 0.333291 0.760172 Te\n0.333421 0.666711 0.239828 Te\n",
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{
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"structure_string": "Ca2 Ge4\n1.0\n-2.022496 -3.503064 -0.000000\n2.022496 -3.503064 -0.000000\n-0.000000 -2.335376 10.039803\nCa Ge\n2 4\ndirect\n0.080541 0.080541 0.758376 Ca\n0.919458 0.919458 0.241624 Ca\n0.185575 0.185575 0.443276 Ge\n0.814424 0.814424 0.556724 Ge\n0.350964 0.350964 0.947107 Ge\n0.649035 0.649035 0.052893 Ge\n",
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{
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"structure_string": "Yb6 Sm2\n1.0\n7.365382 -0.000000 0.000000\n-3.682691 6.378608 0.000000\n-0.000000 -0.000000 5.984223\nYb Sm\n6 2\ndirect\n0.170249 0.340498 0.250000 Yb\n0.659502 0.829751 0.250000 Yb\n0.170250 0.829751 0.250000 Yb\n0.829751 0.659502 0.750000 Yb\n0.340498 0.170249 0.750000 Yb\n0.829750 0.170249 0.750000 Yb\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n",
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{
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{
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"structure_string": "Ce6 O9\n1.0\n3.696850 0.000000 0.000000\n-1.848425 7.048734 -1.241473\n0.000000 0.016331 8.961683\nCe O\n6 9\ndirect\n0.366413 0.732826 0.511460 Ce\n0.312136 0.624271 0.861068 Ce\n0.633588 0.267174 0.488540 Ce\n0.034345 0.068689 0.813419 Ce\n0.965656 0.931310 0.186581 Ce\n0.687865 0.375729 0.138932 Ce\n0.796678 0.593354 0.372986 O\n0.128020 0.256040 0.285352 O\n0.527372 0.054746 0.657498 O\n0.203323 0.406646 0.627014 O\n0.176714 0.353428 0.972149 O\n0.823287 0.646572 0.027851 O\n0.472629 0.945254 0.342502 O\n0.500000 -0.000000 -0.000000 O\n0.871981 0.743959 0.714648 O\n",
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