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{
"id": "jvasp-10117",
"created_at": "2022-09-04T14:38:15.208637Z",
"updated_at": "2022-09-04T14:38:15.208658Z",
"structure_string": "Na4 Cd4 As4\n1.0\n4.494983 -0.000000 0.000000\n-0.000000 7.570547 0.000000\n0.000000 0.000000 8.164206\nNa Cd As\n4 4 4\ndirect\n0.250000 0.517907 0.675136 Na\n0.750000 0.482093 0.324865 Na\n0.250000 0.017907 0.824865 Na\n0.750000 0.982094 0.175135 Na\n0.750000 0.848894 0.575179 Cd\n0.750000 0.348894 0.924822 Cd\n0.250000 0.651106 0.075178 Cd\n0.250000 0.151106 0.424822 Cd\n0.250000 0.775842 0.391876 As\n0.750000 0.724159 0.891876 As\n0.750000 0.224159 0.608125 As\n0.250000 0.275841 0.108125 As\n",
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{
"id": "jvasp-10682",
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{
"id": "jvasp-61252",
"created_at": "2022-09-04T14:35:49.218426Z",
"updated_at": "2022-09-04T14:35:49.218445Z",
"structure_string": "Cd1 As2 O6\n1.0\n2.463719 -4.267286 0.000000\n2.463719 4.267286 0.000000\n0.000000 0.000000 4.907540\nCd As O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.500000 As\n0.333333 0.666667 0.500000 As\n0.624194 0.624194 0.288077 O\n0.375806 -0.000000 0.288077 O\n-0.000000 0.375806 0.288077 O\n0.624194 -0.000000 0.711923 O\n0.375806 0.375806 0.711923 O\n-0.000000 0.624194 0.711923 O\n",
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"density_atomic": 0.0872179233588616,
"volume": 103.18979922245046,
"volume_molar": 6.904705510152613,
"formula_full": "Cd1 As2 O6",
"formula_reduced": "Cd(AsO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.113902694444445,
"spacegroup": 162
},
{
"id": "jvasp-86968",
"created_at": "2022-09-04T14:35:41.081211Z",
"updated_at": "2022-09-04T14:35:41.081240Z",
"structure_string": "Cd1 As2 O6\n1.0\n4.927229 -0.000000 -0.000000\n-2.463615 4.267106 -0.000000\n-0.000000 0.000000 4.907865\nCd As O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Cd\n0.666668 0.333333 0.500000 As\n0.333334 0.666668 0.500000 As\n0.624192 0.624192 0.711918 O\n0.375809 0.000000 0.711918 O\n0.000001 0.375809 0.711918 O\n0.624191 0.000000 0.288083 O\n0.000001 0.624192 0.288083 O\n0.375810 0.375809 0.288083 O\n",
"nsites": 9,
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"density": 5.765105207760846,
"density_atomic": 0.08721952611498342,
"volume": 103.18790299473883,
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"formula_full": "Cd1 As2 O6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 162
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{
"id": "jvasp-75470",
"created_at": "2022-09-04T14:35:44.308459Z",
"updated_at": "2022-09-04T14:35:44.308483Z",
"structure_string": "Cd1 As1 Os1\n1.0\n0.000000 3.154745 3.154745\n3.154745 0.000000 3.154745\n3.154745 3.154745 0.000000\nCd As Os\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Cd\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Os\n",
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"density": 9.984246340493502,
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"formula_full": "Cd1 As1 Os1",
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{
"id": "jvasp-102785",
"created_at": "2022-09-04T14:36:53.834800Z",
"updated_at": "2022-09-04T14:36:53.834814Z",
"structure_string": "Cd2 As2 P2\n1.0\n5.959491 0.023292 -1.183569\n-1.347469 4.072638 -4.302889\n-0.141558 -0.023292 6.074235\nCd As P\n2 2 2\ndirect\n0.250000 0.383768 0.133768 Cd\n0.750000 0.116232 0.366231 Cd\n0.947377 0.750000 0.697377 As\n0.552622 0.250000 0.802622 As\n0.578495 0.828496 0.749999 P\n0.921504 0.671504 0.249999 P\n",
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"spacegroup": 24
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{
"id": "jvasp-75744",
"created_at": "2022-09-04T14:35:59.832824Z",
"updated_at": "2022-09-04T14:35:59.832861Z",
"structure_string": "Cd1 As1 Pd1\n1.0\n-0.000000 3.171320 3.171320\n3.171320 0.000000 3.171320\n3.171320 3.171320 -0.000000\nCd As Pd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Pd\n",
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"density_atomic": 0.0470295756090877,
"volume": 63.78964643304795,
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"formula_full": "Cd1 As1 Pd1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-35468",
"created_at": "2022-09-04T14:37:37.420645Z",
"updated_at": "2022-09-04T14:37:37.420676Z",
"structure_string": "Cd1 As1 Pd5\n1.0\n4.038489 0.000000 0.000000\n-0.000000 4.038489 0.000000\n0.000000 0.000000 7.114139\nCd As Pd\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 As\n0.000000 0.500000 0.288582 Pd\n0.000000 0.500000 0.711418 Pd\n0.500000 0.000000 0.288582 Pd\n0.500000 0.000000 0.711418 Pd\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Cd1 As1 Pd5",
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"formula_anonymous": "ABC5",
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"spacegroup": 123
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{
"id": "jvasp-35477",
"created_at": "2022-09-04T14:37:46.842795Z",
"updated_at": "2022-09-04T14:37:46.842822Z",
"structure_string": "Cd1 As1 Pt5\n1.0\n4.019283 0.000000 0.000000\n-0.000000 4.019283 -0.000000\n-0.000000 0.000000 7.313792\nCd As Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 As\n0.000000 0.500000 0.284837 Pt\n0.000000 0.500000 0.715163 Pt\n0.500000 0.000000 0.284837 Pt\n0.500000 0.000000 0.715163 Pt\n0.000000 0.000000 0.000000 Pt\n",
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],
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"formula_full": "Cd1 As1 Pt5",
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{
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"created_at": "2022-09-04T14:36:14.255014Z",
"updated_at": "2022-09-04T14:36:14.255035Z",
"structure_string": "Rb1 Cd4 As3\n1.0\n12.461016 -2.271025 -0.011210\n12.461016 2.271025 -0.011210\n12.050640 -0.000000 3.900855\nRb Cd As\n1 4 3\ndirect\n0.500000 0.500000 0.500001 Rb\n0.087068 0.087068 0.087068 Cd\n0.912932 0.912932 0.912933 Cd\n0.302135 0.302135 0.302136 Cd\n0.697864 0.697864 0.697865 Cd\n0.229810 0.229810 0.229810 As\n0.770190 0.770190 0.770191 As\n0.000000 0.000000 0.000000 As\n",
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"formula_anonymous": "AB3C4",
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"spacegroup": 166
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{
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"created_at": "2022-09-04T14:35:41.820635Z",
"updated_at": "2022-09-04T14:35:41.820662Z",
"structure_string": "Rb1 Cd4 As3\n1.0\n-2.271038 -3.933552 0.000000\n2.271038 -3.933552 0.000000\n-0.000000 -2.622368 12.392272\nRb Cd As\n1 4 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.087072 0.087072 0.738782 Cd\n0.912927 0.912927 0.261218 Cd\n0.302139 0.302139 0.093584 Cd\n0.697861 0.697861 0.906416 Cd\n0.229818 0.229818 0.310544 As\n0.770182 0.770182 0.689456 As\n0.000000 0.000000 0.000000 As\n",
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},
{
"id": "jvasp-62223",
"created_at": "2022-09-04T14:35:49.830505Z",
"updated_at": "2022-09-04T14:35:49.830525Z",
"structure_string": "Rb4 Cd10 As8\n1.0\n3.866204 -6.288007 0.000000\n3.866204 6.288007 0.000000\n-0.000000 0.000000 12.630318\nRb Cd As\n4 10 8\ndirect\n0.792902 0.207097 0.500000 Rb\n0.207097 0.792902 0.500000 Rb\n0.792902 0.207097 0.000000 Rb\n0.207097 0.792902 0.000000 Rb\n0.994011 0.994011 0.250000 Cd\n0.005988 0.005988 0.750000 Cd\n0.347740 0.347740 0.104539 Cd\n0.652259 0.652259 0.604539 Cd\n0.347740 0.347740 0.395461 Cd\n0.652259 0.652259 0.895461 Cd\n0.469677 0.765988 0.250000 Cd\n0.530322 0.234011 0.750000 Cd\n0.234011 0.530322 0.750000 Cd\n0.765988 0.469677 0.250000 Cd\n0.724519 0.724519 0.101103 As\n0.275480 0.275480 0.601103 As\n0.724519 0.724519 0.398897 As\n0.275480 0.275480 0.898897 As\n0.404220 0.092404 0.250000 As\n0.595779 0.907595 0.750000 As\n0.092404 0.404220 0.250000 As\n0.907595 0.595779 0.750000 As\n",
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