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{
"id": "jvasp-113105",
"created_at": "2022-09-04T14:38:42.248615Z",
"updated_at": "2022-09-04T14:38:42.248632Z",
"structure_string": "Co5 Cu1 S8\n1.0\n5.754557 0.000000 3.322395\n1.918186 5.425449 3.322395\n0.000000 0.000000 6.644790\nCo Cu S\n5 1 8\ndirect\n0.625176 0.625176 0.124474 Co\n0.625176 0.124474 0.625176 Co\n0.124474 0.625176 0.625176 Co\n0.625176 0.625176 0.625176 Co\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Cu\n0.862789 0.862788 0.411635 S\n0.862789 0.411635 0.862789 S\n0.411635 0.862788 0.862789 S\n0.862789 0.862788 0.862789 S\n0.382288 0.382288 0.853137 S\n0.382288 0.853137 0.382288 S\n0.853138 0.382288 0.382288 S\n0.382288 0.382288 0.382288 S\n",
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{
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{
"id": "jvasp-119731",
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"structure_string": "Co5 Bi1 O12\n1.0\n5.076849 -0.003524 -0.232428\n-2.551964 4.388837 -0.232428\n-0.445738 -0.774174 8.608013\nCo Bi O\n5 1 12\ndirect\n0.166536 0.833466 0.500000 Co\n0.666668 0.333334 -0.000000 Co\n0.333334 0.666668 -0.000000 Co\n0.833465 0.166536 0.500000 Co\n0.500001 0.500001 0.500000 Co\n0.000000 0.000000 0.000000 Bi\n0.582713 -0.039460 0.880351 O\n0.661618 0.661618 0.119631 O\n0.039462 0.417288 0.119648 O\n0.532859 0.200155 0.601485 O\n0.869182 0.869183 0.606540 O\n0.467143 0.799847 0.398514 O\n0.799847 0.467143 0.398514 O\n0.338383 0.338384 0.880368 O\n-0.039461 0.582713 0.880351 O\n0.417288 0.039462 0.119648 O\n0.200155 0.532859 0.601485 O\n0.130819 0.130819 0.393459 O\n",
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"spacegroup": 12
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{
"id": "jvasp-30337",
"created_at": "2022-09-04T14:37:06.036280Z",
"updated_at": "2022-09-04T14:37:06.036299Z",
"structure_string": "Co5 Bi1 O12\n1.0\n2.529750 4.394287 0.483790\n-2.557789 4.397815 0.241896\n0.435364 0.756247 8.663645\nCo Bi O\n5 1 12\ndirect\n0.166565 0.666869 0.500001 Co\n0.666671 0.666659 0.000000 Co\n0.333330 0.333343 0.000000 Co\n0.833435 0.333133 0.500000 Co\n0.500000 0.000001 0.500000 Co\n0.000000 0.000000 0.000000 Bi\n0.039419 0.378304 0.881285 O\n0.338903 0.000000 0.118687 O\n0.582277 0.378304 0.118715 O\n0.799951 0.667334 0.600525 O\n0.130924 0.000001 0.605446 O\n0.200050 0.332668 0.399476 O\n0.532716 0.667334 0.399476 O\n0.661097 0.000001 0.881313 O\n0.417723 0.621698 0.881286 O\n0.960581 0.621698 0.118716 O\n0.467284 0.332668 0.600525 O\n0.869076 0.000001 0.394555 O\n",
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"volume": 191.90059903742176,
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"formula_full": "Co5 Bi1 O12",
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{
"id": "jvasp-119563",
"created_at": "2022-09-04T14:38:51.362410Z",
"updated_at": "2022-09-04T14:38:51.362426Z",
"structure_string": "Co4 Te8\n1.0\n6.340216 0.000000 0.000000\n0.000000 6.340216 0.000000\n0.000000 0.000000 6.340216\nCo Te\n4 8\ndirect\n0.500000 0.500000 -0.000000 Co\n0.500000 0.000000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.134967 0.865033 0.365033 Te\n0.865033 0.365033 0.134967 Te\n0.365033 0.134967 0.865033 Te\n0.634968 0.634968 0.634968 Te\n0.865033 0.134967 0.634968 Te\n0.134967 0.634968 0.865033 Te\n0.634968 0.865033 0.134967 Te\n0.365033 0.365033 0.365033 Te\n",
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"volume": 254.86615163620718,
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"formula_full": "Co4 Te8",
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{
"id": "jvasp-116799",
"created_at": "2022-09-04T14:38:33.705150Z",
"updated_at": "2022-09-04T14:38:33.705179Z",
"structure_string": "Co4 Te2 Cl4 O6\n1.0\n6.680461 0.000000 0.000000\n-0.000000 4.902350 1.281448\n-0.000000 0.046885 8.008746\nCo Te Cl O\n4 2 4 6\ndirect\n0.250000 0.747626 0.803016 Co\n0.750000 0.252373 0.196984 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.750000 0.602366 0.735350 Te\n0.250000 0.397632 0.264651 Te\n0.250000 0.840123 0.499568 Cl\n0.250000 0.266627 0.793854 Cl\n0.750000 0.733372 0.206147 Cl\n0.750000 0.159876 0.500433 Cl\n0.038574 0.235445 0.163220 O\n0.538574 0.764553 0.836781 O\n0.961426 0.764553 0.836781 O\n0.750000 0.256739 0.922147 O\n0.250000 0.743260 0.077854 O\n0.461426 0.235445 0.163220 O\n",
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"density_atomic": 0.06109558241170665,
"volume": 261.8847282963982,
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"formula_full": "Co4 Te2 Cl4 O6",
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"formula_anonymous": "AB2C2D3",
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{
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"created_at": "2022-09-04T14:36:52.471173Z",
"updated_at": "2022-09-04T14:36:52.471194Z",
"structure_string": "Co4 Sn4 O12\n1.0\n5.354139 0.000057 0.000173\n-0.000075 5.411343 0.000120\n-0.000146 0.000046 7.791577\nCo Sn O\n4 4 12\ndirect\n0.025159 0.985694 0.750025 Co\n0.525154 0.514311 0.750000 Co\n0.474818 0.485721 0.250016 Co\n0.974826 0.014280 0.250006 Co\n0.499991 0.000014 0.000007 Sn\n0.500002 0.000004 0.499999 Sn\n0.999985 0.499998 0.000006 Sn\n-0.000001 0.499985 0.500002 Sn\n0.165003 0.837043 0.069204 O\n0.665040 0.662977 0.430783 O\n0.665025 0.662988 0.069237 O\n0.902367 0.628722 0.750000 O\n0.097616 0.371254 0.250001 O\n0.835017 0.162929 0.569202 O\n0.334996 0.337037 0.569210 O\n0.834965 0.162982 0.930774 O\n0.165063 0.836991 0.430746 O\n0.597618 0.128749 0.250001 O\n0.334972 0.337050 0.930784 O\n0.402370 0.871281 0.750001 O\n",
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{
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"created_at": "2022-09-04T14:37:07.662665Z",
"updated_at": "2022-09-04T14:37:07.662699Z",
"structure_string": "Co4 Sn2 O8\n1.0\n6.155032 -0.082134 -0.109254\n3.006386 5.371481 -0.109254\n2.964601 1.711612 4.841172\nCo Sn O\n4 2 8\ndirect\n0.014324 0.014324 0.985676 Co\n0.235676 0.235676 0.264324 Co\n0.625000 0.625000 0.125001 Co\n0.625000 0.625000 0.625001 Co\n0.125000 0.625000 0.625000 Sn\n0.625000 0.125000 0.625000 Sn\n0.379879 0.379879 0.381369 O\n0.379880 0.379879 0.858872 O\n0.376028 0.847192 0.388391 O\n0.847192 0.376028 0.388391 O\n0.402808 0.873971 0.861611 O\n0.873971 0.402808 0.861611 O\n0.870120 0.870120 0.391129 O\n0.870120 0.870120 0.868631 O\n",
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{
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"created_at": "2022-09-04T14:36:14.290329Z",
"updated_at": "2022-09-04T14:36:14.290357Z",
"structure_string": "Co4 Sn2\n1.0\n2.147795 -3.720091 -0.000000\n2.147795 3.720091 0.000000\n0.000000 0.000000 5.210733\nCo Sn\n4 2\ndirect\n0.333332 0.666666 0.250000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.666666 0.333332 0.750000 Co\n0.666666 0.333332 0.250000 Sn\n0.333332 0.666666 0.750000 Sn\n",
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{
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{
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"structure_string": "Co4 Si4\n1.0\n4.451883 0.000000 0.000000\n0.000000 4.451883 0.000000\n-0.000000 -0.000000 4.451883\nCo Si\n4 4\ndirect\n0.855546 0.644453 0.355547 Co\n0.644453 0.355547 0.855546 Co\n0.355547 0.855546 0.644453 Co\n0.144453 0.144453 0.144453 Co\n0.157613 0.342386 0.657613 Si\n0.342386 0.657613 0.157613 Si\n0.657613 0.157613 0.342386 Si\n0.842386 0.842386 0.842386 Si\n",
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{
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"structure_string": "Co4 Si2 Ge2\n1.0\n4.538619 -0.000000 0.000000\n0.000000 4.535277 0.053329\n-0.000000 -0.003708 4.554874\nCo Si Ge\n4 2 2\ndirect\n0.636797 0.356652 0.605178 Co\n0.136797 0.643348 0.394821 Co\n0.361063 0.133968 0.118580 Co\n0.861063 0.866032 0.881419 Co\n0.660193 0.842368 0.414477 Si\n0.160193 0.157632 0.585522 Si\n0.341946 0.660989 0.907587 Ge\n0.841946 0.339011 0.092412 Ge\n",
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]
}