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{
"id": "jvasp-35690",
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"updated_at": "2022-09-04T14:37:12.510519Z",
"structure_string": "Cu1 Pd1\n1.0\n3.013675 0.000000 0.000000\n0.000000 3.013675 0.000000\n0.000000 0.000000 3.013675\nCu Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500001 0.500001 Pd\n",
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{
"id": "jvasp-104965",
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"structure_string": "Cu1 Pd1\n1.0\n2.607256 0.004905 3.715647\n1.177164 2.326391 3.715647\n0.007962 0.004905 4.539136\nCu Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.499998 0.500003 Pd\n",
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{
"id": "jvasp-105752",
"created_at": "2022-09-04T14:36:06.215265Z",
"updated_at": "2022-09-04T14:36:06.215285Z",
"structure_string": "Cu1 Pb3\n1.0\n4.750640 0.000000 0.000000\n0.000000 4.750640 0.000000\n-0.000000 -0.000000 4.750640\nCu Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
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},
{
"id": "jvasp-101558",
"created_at": "2022-09-04T14:37:05.777339Z",
"updated_at": "2022-09-04T14:37:05.777377Z",
"structure_string": "Cu1 Pb3\n1.0\n4.391821 0.124123 -3.859389\n-0.819468 4.316476 -3.859389\n-0.099854 -0.124123 5.845768\nCu Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750001 0.500001 Pb\n0.500000 0.500000 -0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 10.60290402992275,
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},
{
"id": "jvasp-9177",
"created_at": "2022-09-04T14:36:52.517178Z",
"updated_at": "2022-09-04T14:36:52.517190Z",
"structure_string": "Cu4 P8\n1.0\n0.000000 5.825139 -0.006412\n4.859608 0.000000 0.000000\n0.000000 -2.907581 -7.015389\nCu P\n4 8\ndirect\n0.146476 0.960847 0.919256 Cu\n0.853524 0.460847 0.580744 Cu\n0.853524 0.039153 0.080744 Cu\n0.146476 0.539154 0.419256 Cu\n0.406602 0.615611 0.080654 P\n0.593398 0.115611 0.419345 P\n0.593398 0.384389 0.919345 P\n0.406602 0.884389 0.580654 P\n0.245531 0.220196 0.700427 P\n0.754470 0.720196 0.799572 P\n0.754469 0.779804 0.299572 P\n0.245531 0.279804 0.200427 P\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Cu-P",
"density": 4.195396673491512,
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"volume": 198.68147441121937,
"volume_molar": 9.970731710905843,
"formula_full": "Cu4 P8",
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"spacegroup": 14
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{
"id": "jvasp-91340",
"created_at": "2022-09-04T14:35:53.678228Z",
"updated_at": "2022-09-04T14:35:53.678258Z",
"structure_string": "Cu8 P28\n1.0\n7.091530 0.000000 1.825973\n3.325454 6.320352 1.768609\n-0.000393 0.009581 14.685194\nCu P\n8 28\ndirect\n0.965068 0.717455 0.352409 Cu\n0.281186 0.010140 0.427489 Cu\n0.718815 0.989859 0.572511 Cu\n0.383899 0.437684 0.794518 Cu\n0.034933 0.282545 0.647591 Cu\n0.156337 0.654586 0.032740 Cu\n0.843663 0.345414 0.967260 Cu\n0.616101 0.562316 0.205482 Cu\n0.224003 0.064373 0.171153 P\n0.357059 0.834677 0.980627 P\n0.775997 0.935627 0.828846 P\n0.540471 0.064373 0.171153 P\n0.764688 0.542240 0.421650 P\n0.728578 0.457760 0.578350 P\n0.235312 0.457760 0.578350 P\n0.271422 0.542240 0.421650 P\n0.172364 0.165322 0.019373 P\n0.459529 0.935627 0.828846 P\n0.958586 0.221501 0.377291 P\n0.471332 0.702313 0.355023 P\n0.557377 0.778499 0.622709 P\n0.041415 0.778499 0.622709 P\n0.442623 0.221501 0.377291 P\n0.970806 0.364972 0.223316 P\n0.559096 0.635027 0.776683 P\n0.029194 0.635027 0.776683 P\n0.642941 0.165322 0.019373 P\n0.440904 0.364972 0.223316 P\n0.224416 0.957888 0.593280 P\n0.895019 0.412872 0.797090 P\n0.104981 0.587128 0.202910 P\n0.653700 0.649793 0.042807 P\n0.346301 0.350207 0.957193 P\n0.528668 0.297686 0.644977 P\n0.775584 0.042112 0.406720 P\n0.827636 0.834677 0.980627 P\n",
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"volume": 658.147125209531,
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"formula_full": "Cu8 P28",
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"formula_anonymous": "A2B7",
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{
"id": "jvasp-15821",
"created_at": "2022-09-04T14:36:17.363563Z",
"updated_at": "2022-09-04T14:36:17.363602Z",
"structure_string": "Cu6 P2\n1.0\n2.033253 -3.521699 0.000000\n2.033253 3.521699 -0.000000\n0.000000 0.000000 7.418529\nCu P\n6 2\ndirect\n0.333332 0.666666 0.371592 Cu\n0.666666 0.333332 0.628408 Cu\n0.333332 0.666666 0.016424 Cu\n0.666666 0.333332 0.983576 Cu\n0.000000 -0.000000 0.180449 Cu\n0.000000 -0.000000 0.819551 Cu\n0.666666 0.333332 0.300357 P\n0.333332 0.666666 0.699643 P\n",
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"formula_full": "Cu6 P2",
"formula_reduced": "Cu3P",
"formula_anonymous": "AB3",
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"spacegroup": 164
},
{
"id": "jvasp-103582",
"created_at": "2022-09-04T14:36:47.367225Z",
"updated_at": "2022-09-04T14:36:47.367236Z",
"structure_string": "Cu2 O4\n1.0\n5.180812 0.131400 0.000000\n-4.405070 2.730098 0.000000\n0.000000 0.000000 3.842059\nCu O\n2 4\ndirect\n0.843049 0.156952 0.750000 Cu\n0.156952 0.843049 0.250000 Cu\n0.471859 0.528142 0.750000 O\n0.528141 0.471859 0.250000 O\n0.207142 0.792859 0.750000 O\n0.792858 0.207142 0.250000 O\n",
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"volume": 56.566445157336965,
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"formula_full": "Cu2 O4",
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"spacegroup": 63
},
{
"id": "jvasp-1216",
"created_at": "2022-09-04T14:36:56.098029Z",
"updated_at": "2022-09-04T14:36:56.098050Z",
"structure_string": "Cu4 O2\n1.0\n4.297460 0.000000 0.000000\n0.000000 4.297460 0.000000\n0.000000 0.000000 4.297460\nCu O\n4 2\ndirect\n0.250000 0.250000 0.750000 Cu\n0.750000 0.250000 0.250000 Cu\n0.250000 0.750000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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},
{
"id": "jvasp-19812",
"created_at": "2022-09-04T14:38:16.895175Z",
"updated_at": "2022-09-04T14:38:16.895206Z",
"structure_string": "Cu2 O2\n1.0\n2.891667 -0.434930 0.185918\n0.430641 2.892309 0.185918\n-0.365803 -0.270570 5.154359\nCu O\n2 2\ndirect\n0.986505 0.486505 0.508000 Cu\n0.486505 0.986504 0.008000 Cu\n0.486969 0.486026 0.258001 O\n0.486026 0.486969 0.758001 O\n",
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},
{
"id": "jvasp-52131",
"created_at": "2022-09-04T14:37:19.102487Z",
"updated_at": "2022-09-04T14:37:19.102515Z",
"structure_string": "Cu8 O7\n1.0\n5.839719 -0.003691 -0.162252\n-0.003691 5.839719 -0.162252\n-2.777189 -2.777189 5.242906\nCu O\n8 7\ndirect\n0.011200 0.002869 0.009322 Cu\n0.991827 0.489487 0.982435 Cu\n0.510575 0.505602 0.517675 Cu\n0.510515 0.008174 0.517567 Cu\n0.494399 0.489426 0.982328 Cu\n0.501581 0.002875 0.009354 Cu\n0.997126 0.498420 0.490647 Cu\n0.997132 0.988801 0.490680 Cu\n0.122463 0.368936 0.741211 O\n0.126714 0.873287 0.750001 O\n0.631065 0.877538 0.758791 O\n0.377022 0.622979 0.250001 O\n0.392858 0.139216 0.282261 O\n0.876745 0.123256 0.250001 O\n0.860785 0.607143 0.217740 O\n",
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{
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"structure_string": "Cu2 O2\n1.0\n2.929458 -0.034164 -0.042660\n0.038003 2.929478 -0.040387\n0.083379 0.076930 5.173064\nCu O\n2 2\ndirect\n-0.000000 0.500000 -0.000000 Cu\n0.500001 0.000001 0.500000 Cu\n0.000544 0.999485 0.249995 O\n0.999457 0.000518 0.750004 O\n",
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}
]
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