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{
"id": "jvasp-8762",
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"structure_string": "Cu1 Br1\n1.0\n3.964144 -0.329916 0.571433\n-1.632429 3.627458 -0.571433\n-0.699284 -1.978687 3.427187\nCu Br\n1 1\ndirect\n0.749999 0.499999 0.250000 Cu\n0.000000 0.000000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:36:35.459830Z",
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"structure_string": "Cu1 Br1\n1.0\n3.485937 -0.000000 2.012607\n1.161979 3.286573 2.012607\n0.000000 0.000000 4.025213\nCu Br\n1 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-56484",
"created_at": "2022-09-04T14:37:39.809851Z",
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"structure_string": "Cu1 Br1\n1.0\n3.291893 -0.000000 1.900574\n1.097297 3.103627 1.900574\n-0.000000 -0.000000 3.801150\nCu Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500001 0.499999 Br\n",
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{
"id": "jvasp-109209",
"created_at": "2022-09-04T14:38:27.185902Z",
"updated_at": "2022-09-04T14:38:27.185932Z",
"structure_string": "Cu1 Bi2 O4\n1.0\n3.783963 -0.006842 -5.678537\n-0.352295 3.767534 -5.678537\n0.006244 0.006842 6.823791\nCu Bi O\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.647476 0.647477 -0.000002 Bi\n0.352522 0.352523 -0.000001 Bi\n0.749999 0.250000 0.499998 O\n0.249998 0.749999 0.499997 O\n0.499999 0.000000 0.499999 O\n-0.000001 0.499999 0.499998 O\n",
"nsites": 7,
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"volume": 97.5594757513911,
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"formula_full": "Cu1 Bi2 O4",
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},
{
"id": "jvasp-57291",
"created_at": "2022-09-04T14:38:16.625661Z",
"updated_at": "2022-09-04T14:38:16.625693Z",
"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053391 0.013210 0.004340\n-2.377349 5.624807 -0.019624\n-0.183303 -2.295863 5.733900\nCu Bi W O\n1 1 2 8\ndirect\n0.861416 0.901204 0.788505 Cu\n0.361596 0.901334 0.288697 Bi\n0.116874 0.422727 0.620718 W\n0.606265 0.379918 0.956659 W\n0.329965 0.211272 0.626126 O\n0.823804 0.198566 0.810970 O\n0.361592 0.648510 0.512046 O\n0.857370 0.628451 0.217808 O\n0.865850 0.174241 0.359523 O\n0.393131 0.591351 0.951285 O\n0.899282 0.604041 0.766346 O\n0.361659 0.154192 0.065423 O\n",
"nsites": 12,
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"elements": [
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"volume": 162.96298171131312,
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"formula_full": "Cu1 Bi1 W2 O8",
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{
"id": "jvasp-54474",
"created_at": "2022-09-04T14:37:46.157111Z",
"updated_at": "2022-09-04T14:37:46.157122Z",
"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053386 0.011524 0.005820\n-2.375638 5.625630 -0.022274\n-0.185695 -2.294140 5.734487\nCu Bi W O\n1 1 2 8\ndirect\n0.861250 0.901091 0.788304 Cu\n0.361617 0.901345 0.288719 Bi\n0.116876 0.422746 0.620739 W\n0.606262 0.379907 0.956672 W\n0.329941 0.211284 0.626137 O\n0.823776 0.198553 0.810930 O\n0.361689 0.648599 0.512166 O\n0.857401 0.628456 0.217826 O\n0.865908 0.174283 0.359497 O\n0.393119 0.591327 0.951339 O\n0.899271 0.604044 0.766357 O\n0.361684 0.154164 0.065420 O\n",
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"formula_full": "Cu1 Bi1 W2 O8",
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{
"id": "jvasp-103490",
"created_at": "2022-09-04T14:36:33.691561Z",
"updated_at": "2022-09-04T14:36:33.691585Z",
"structure_string": "Cu1 Bi1 Se2\n1.0\n3.881729 0.004258 5.601768\n1.754314 3.462691 5.601768\n0.006923 0.004258 6.815246\nCu Bi Se\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Cu\n0.000000 0.000000 0.000000 Bi\n0.237553 0.237554 0.237554 Se\n0.762445 0.762447 0.762448 Se\n",
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"density_atomic": 0.043778284189069885,
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"formula_full": "Cu1 Bi1 Se2",
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},
{
"id": "jvasp-111265",
"created_at": "2022-09-04T14:38:43.835970Z",
"updated_at": "2022-09-04T14:38:43.835995Z",
"structure_string": "Cu1 Bi1 O3\n1.0\n3.841853 0.000000 0.000000\n0.000000 3.841853 0.000000\n-0.000000 -0.000000 3.841853\nCu Bi O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n",
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"density": 9.386166066132736,
"density_atomic": 0.08817546807096954,
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"formula_full": "Cu1 Bi1 O3",
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},
{
"id": "jvasp-111820",
"created_at": "2022-09-04T14:38:53.629042Z",
"updated_at": "2022-09-04T14:38:53.629069Z",
"structure_string": "Cu1 Bi12 Ir3\n1.0\n4.253626 0.000000 0.000000\n0.000000 9.063092 -0.032605\n0.000000 -0.096226 11.685286\nCu Bi Ir\n1 12 3\ndirect\n0.500000 0.596136 0.978462 Cu\n0.500000 0.797641 0.610776 Bi\n0.500000 0.284531 0.884242 Bi\n0.000000 0.215761 0.393752 Bi\n0.000000 0.691465 0.121795 Bi\n0.500000 0.892548 0.908408 Bi\n0.500000 0.400700 0.604952 Bi\n0.000000 0.106359 0.085852 Bi\n0.000000 0.612426 0.399295 Bi\n0.500000 0.918004 0.318331 Bi\n0.500000 0.388986 0.179341 Bi\n0.000000 0.090091 0.682964 Bi\n0.000000 0.584353 0.815333 Bi\n0.500000 0.108074 0.523213 Ir\n0.000000 0.408470 0.015640 Ir\n0.000000 0.904450 0.477642 Ir\n",
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"elements": [
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"density": 11.60423140158262,
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{
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"created_at": "2022-09-04T14:37:11.835417Z",
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"structure_string": "Cu1 B2 C8 N8\n1.0\n5.914412 -0.028383 -0.324272\n-0.162841 6.377727 -3.528320\n-0.059248 -0.011862 7.513343\nCu B C N\n1 2 8 8\ndirect\n0.500000 0.000000 0.000000 Cu\n0.134982 0.333755 0.667508 B\n0.865018 0.666246 0.332492 B\n0.131385 0.661586 0.323171 C\n0.240404 0.212164 0.778715 C\n0.198698 0.218699 0.437398 C\n0.759595 0.433450 0.221285 C\n0.868615 0.338415 0.676829 C\n0.801301 0.781302 0.562602 C\n0.240404 0.566552 0.778715 C\n0.759595 0.787837 0.221286 C\n0.318240 0.735323 0.857981 N\n0.672922 0.340444 0.680888 N\n0.757045 0.865879 0.731759 N\n0.318240 0.122660 0.857981 N\n0.681760 0.877341 0.142019 N\n0.242955 0.134122 0.268241 N\n0.681760 0.264679 0.142019 N\n0.327079 0.659557 0.319113 N\n",
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{
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"created_at": "2022-09-04T14:38:49.575813Z",
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"structure_string": "Cu1 B1 S2\n1.0\n3.096073 0.000000 0.000000\n0.000000 3.096073 0.000000\n0.000000 0.000000 5.646093\nCu B S\n1 1 2\ndirect\n0.500000 0.500000 0.481961 Cu\n0.000000 0.000000 0.972967 B\n0.000000 0.000000 0.643093 S\n0.500000 0.500000 0.079539 S\n",
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{
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