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{
"id": "jvasp-119104",
"created_at": "2022-09-04T14:38:34.612571Z",
"updated_at": "2022-09-04T14:38:34.612599Z",
"structure_string": "Dy3 Fe2 Si7\n1.0\n12.433539 -0.004142 0.000000\n-11.778127 3.983545 0.000000\n0.000000 0.000000 4.094022\nDy Fe Si\n3 2 7\ndirect\n0.097743 0.902259 0.500000 Dy\n0.468367 0.531635 0.500000 Dy\n0.783056 0.216946 -0.000000 Dy\n0.655604 0.344397 -0.000000 Fe\n0.910504 0.089498 -0.000000 Fe\n0.373080 0.626922 -0.000000 Si\n0.563086 0.436916 -0.000000 Si\n0.873421 0.126581 0.500000 Si\n0.003025 0.996977 -0.000000 Si\n0.193032 0.806970 -0.000000 Si\n0.283101 0.716901 0.500000 Si\n0.692690 0.307311 0.500000 Si\n",
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{
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"structure_string": "Ca1 Mg2 Ni9\n1.0\n4.641987 -0.000264 6.915318\n2.105583 4.136976 6.915318\n-0.000429 -0.000264 8.328846\nCa Mg Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 Ca\n0.857054 0.857057 0.857055 Mg\n0.142945 0.142945 0.142945 Mg\n0.586576 0.081699 0.586576 Ni\n0.586576 0.586578 0.081698 Ni\n0.081697 0.586578 0.586577 Ni\n0.918301 0.413425 0.413423 Ni\n0.413423 0.918304 0.413424 Ni\n0.413423 0.413425 0.918302 Ni\n0.499999 0.500001 0.500000 Ni\n0.666524 0.666527 0.666525 Ni\n0.333474 0.333476 0.333475 Ni\n",
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{
"id": "jvasp-57281",
"created_at": "2022-09-04T14:38:34.613237Z",
"updated_at": "2022-09-04T14:38:34.613259Z",
"structure_string": "Al3 P3 O12\n1.0\n2.691752 -4.662251 -0.000000\n2.691752 4.662251 0.000000\n-0.000000 0.000000 10.883574\nAl P O\n3 3 12\ndirect\n-0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.166667 Al\n0.500000 0.500000 0.666667 P\n-0.000000 0.500000 0.333333 P\n0.500000 -0.000000 0.000000 P\n0.705272 0.441967 0.933489 O\n0.441967 0.705272 0.399844 O\n0.736695 0.441967 0.066511 O\n0.441967 0.736695 0.266822 O\n0.294728 0.558032 0.933489 O\n0.263305 0.705272 0.600156 O\n0.263305 0.558032 0.066511 O\n0.705272 0.263305 0.733177 O\n0.736695 0.294727 0.600156 O\n0.558032 0.263305 0.266822 O\n0.558032 0.294728 0.399844 O\n0.294727 0.736695 0.733177 O\n",
"nsites": 18,
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"elements": [
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"density": 2.2239768443864545,
"density_atomic": 0.06589315158201763,
"volume": 273.169511062091,
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{
"id": "jvasp-56684",
"created_at": "2022-09-04T14:38:34.617469Z",
"updated_at": "2022-09-04T14:38:34.617505Z",
"structure_string": "Mn2 B8 O14\n1.0\n5.221025 0.000000 -0.000000\n0.000000 5.687321 -2.937849\n-0.000000 -0.003679 6.401293\nMn B O\n2 8 14\ndirect\n0.750001 0.775231 0.775231 Mn\n0.250000 0.224769 0.224769 Mn\n0.750001 0.319795 0.081839 B\n0.250000 0.918160 0.680204 B\n0.000000 0.706034 0.293965 B\n0.000000 0.293965 0.706034 B\n0.500000 0.293965 0.706034 B\n0.750001 0.081839 0.319795 B\n0.250000 0.680205 0.918160 B\n0.500000 0.706034 0.293965 B\n0.250000 0.757240 0.190495 O\n0.976288 0.453520 0.189167 O\n0.476287 0.810833 0.546479 O\n0.523714 0.453520 0.189167 O\n0.750001 0.809505 0.242759 O\n0.976288 0.189167 0.453520 O\n0.750001 0.094515 0.094515 O\n0.523714 0.189167 0.453520 O\n0.250000 0.190495 0.757240 O\n0.750001 0.242759 0.809504 O\n0.023713 0.546479 0.810832 O\n0.250000 0.905484 0.905484 O\n0.476287 0.546479 0.810832 O\n0.023713 0.810833 0.546479 O\n",
"nsites": 24,
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{
"id": "jvasp-20967",
"created_at": "2022-09-04T14:38:34.620095Z",
"updated_at": "2022-09-04T14:38:34.620110Z",
"structure_string": "Li4 Si4 O10\n1.0\n4.817435 -0.000329 0.000130\n0.000430 5.412220 -2.148644\n-0.000214 0.011504 7.919721\nLi Si O\n4 4 10\ndirect\n0.596818 0.705366 0.113925 Li\n0.096818 0.591442 0.886076 Li\n0.096818 0.402179 0.113923 Li\n0.596819 0.288257 0.886077 Li\n0.094384 0.005783 0.705029 Si\n0.094383 0.987838 0.294971 Si\n0.594384 0.300754 0.294970 Si\n0.594384 0.692868 0.705030 Si\n0.534822 0.496810 0.500001 O\n0.931268 0.763790 0.726380 O\n0.431267 0.037411 0.273620 O\n0.431267 0.956210 0.726380 O\n0.931267 0.229831 0.273620 O\n-0.003376 0.735338 0.141470 O\n-0.003376 0.258283 0.858529 O\n0.496624 0.399755 0.141471 O\n0.496625 0.593869 0.858531 O\n0.034821 0.996809 0.499999 O\n",
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"formula_full": "Li4 Si4 O10",
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"spacegroup": 37
},
{
"id": "jvasp-9271",
"created_at": "2022-09-04T14:38:34.622715Z",
"updated_at": "2022-09-04T14:38:34.622750Z",
"structure_string": "Mn4 Zn4 O8\n1.0\n3.102173 -0.022635 -0.015211\n-0.318540 8.044949 0.104317\n-0.792623 -0.175622 8.365543\nMn Zn O\n4 4 8\ndirect\n0.951761 0.241887 0.414510 Mn\n0.701402 0.400953 0.770785 Mn\n0.274398 0.578960 0.201012 Mn\n0.023933 0.738046 0.557287 Mn\n0.328787 0.071942 0.726489 Zn\n0.647066 0.907975 0.245310 Zn\n0.729240 0.737208 0.872481 Zn\n0.246399 0.242681 0.099308 Zn\n0.477919 0.726083 0.404090 O\n0.790543 0.382547 0.211353 O\n0.185197 0.597369 0.760433 O\n0.497791 0.253848 0.567707 O\n0.171256 0.062628 0.255473 O\n0.219603 0.257348 0.873730 O\n0.804582 0.917292 0.716347 O\n0.756230 0.722570 0.098069 O\n",
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"spacegroup": 2
},
{
"id": "jvasp-20808",
"created_at": "2022-09-04T14:38:34.626229Z",
"updated_at": "2022-09-04T14:38:34.626247Z",
"structure_string": "Al4 Pd8\n1.0\n4.100289 0.000000 0.000000\n0.000000 5.489718 0.000000\n0.000000 0.000000 7.856624\nAl Pd\n4 8\ndirect\n0.750000 0.301414 0.605499 Al\n0.250000 0.698587 0.394501 Al\n0.750000 0.801414 0.894500 Al\n0.250000 0.198587 0.105499 Al\n0.750000 0.959124 0.210020 Pd\n0.250000 0.040877 0.789980 Pd\n0.750000 0.459124 0.289980 Pd\n0.250000 0.540877 0.710019 Pd\n0.750000 0.835061 0.566770 Pd\n0.250000 0.164939 0.433230 Pd\n0.750000 0.335061 0.933229 Pd\n0.250000 0.664939 0.066770 Pd\n",
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"spacegroup": 62
},
{
"id": "jvasp-116887",
"created_at": "2022-09-04T14:38:34.626685Z",
"updated_at": "2022-09-04T14:38:34.626712Z",
"structure_string": "Ti1 V4 Co1 O12\n1.0\n6.484152 0.030738 1.749744\n0.251766 6.479335 1.749744\n0.010477 0.010126 5.704596\nTi V Co O\n1 4 1 12\ndirect\n0.087750 0.912251 0.499999 Ti\n0.799912 0.609753 0.007267 V\n0.610956 0.797035 0.512206 V\n0.390248 0.200088 -0.007268 V\n0.202966 0.389045 0.487793 V\n0.912594 0.087406 -0.000001 Co\n0.186897 0.027518 0.123395 O\n0.376410 0.336032 0.682973 O\n0.364964 0.914517 0.515800 O\n0.345699 0.382922 0.183861 O\n0.663969 0.623592 0.317026 O\n0.811097 0.967782 0.395504 O\n0.617079 0.654302 0.816137 O\n0.085485 0.635037 0.484198 O\n0.911859 0.372584 0.019425 O\n0.972483 0.813104 0.876604 O\n0.627417 0.088142 0.980574 O\n0.032219 0.188904 0.604495 O\n",
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{
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"created_at": "2022-09-04T14:38:34.627521Z",
"updated_at": "2022-09-04T14:38:34.627547Z",
"structure_string": "Nd16 O24\n1.0\n9.116428 -0.000000 -3.223143\n-4.558214 7.895058 -3.223143\n-0.000000 -0.000000 9.669431\nNd O\n16 24\ndirect\n0.500000 0.500000 0.500000 Nd\n0.250000 0.719541 0.469542 Nd\n0.030459 0.750000 0.780459 Nd\n0.780459 0.030459 0.750000 Nd\n0.469542 0.250000 0.719542 Nd\n0.719542 0.469541 0.250001 Nd\n0.750000 0.280459 0.530459 Nd\n0.750001 0.780459 0.030459 Nd\n0.219542 0.969542 0.250001 Nd\n0.530459 0.750000 0.280459 Nd\n0.280459 0.530459 0.750000 Nd\n0.250000 0.219541 0.969541 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.000000 Nd\n0.969542 0.250000 0.219542 Nd\n0.000000 0.000000 0.500000 Nd\n0.959353 0.728716 0.987661 O\n0.540648 0.528308 0.769364 O\n0.241056 0.971692 0.512340 O\n0.730636 0.258944 0.771284 O\n0.028308 0.487661 0.758945 O\n0.987661 0.959352 0.728717 O\n0.228716 0.269364 0.741056 O\n0.271284 0.012340 0.040648 O\n0.230636 0.459352 0.471692 O\n0.459353 0.471692 0.230637 O\n0.758945 0.028308 0.487661 O\n0.269364 0.741056 0.228717 O\n0.040648 0.271284 0.012340 O\n0.258945 0.771284 0.730637 O\n0.487661 0.758945 0.028309 O\n0.012340 0.040648 0.271284 O\n0.471692 0.230636 0.459353 O\n0.971692 0.512340 0.241056 O\n0.771284 0.730636 0.258945 O\n0.728717 0.987661 0.959353 O\n0.769364 0.540648 0.528309 O\n0.528309 0.769364 0.540648 O\n0.741056 0.228716 0.269364 O\n0.512340 0.241056 0.971692 O\n",
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{
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"structure_string": "Y12 Pt4\n1.0\n6.490606 0.000000 0.000000\n0.000000 7.053932 0.000000\n0.000000 0.000000 9.561614\nY Pt\n12 4\ndirect\n0.131306 0.025240 0.250000 Y\n0.631307 0.474760 0.750000 Y\n0.368694 0.525240 0.250000 Y\n0.868694 0.974760 0.750000 Y\n0.678849 0.180173 0.060463 Y\n0.178849 0.319827 0.939537 Y\n0.821152 0.680173 0.439537 Y\n0.321152 0.819827 0.560463 Y\n0.321152 0.819827 0.939537 Y\n0.821152 0.680173 0.060463 Y\n0.178849 0.319827 0.560463 Y\n0.678849 0.180173 0.439537 Y\n0.949741 0.387730 0.250000 Pt\n0.449741 0.112270 0.750000 Pt\n0.550260 0.887730 0.250000 Pt\n0.050260 0.612269 0.750000 Pt\n",
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{
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"created_at": "2022-09-04T14:38:34.633600Z",
"updated_at": "2022-09-04T14:38:34.633627Z",
"structure_string": "Cu8 O6\n1.0\n5.267627 -0.000000 -2.670111\n-1.353454 5.090781 -2.670111\n-0.032783 -0.042637 6.466399\nCu O\n8 6\ndirect\n0.500001 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000001 0.500000 0.500000 Cu\n0.500001 0.500000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 -0.000000 0.500000 Cu\n0.500001 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.625001 0.375000 0.250000 O\n0.375001 0.624999 0.750000 O\n0.637976 0.887974 0.275950 O\n0.887976 0.637974 0.775950 O\n0.362026 0.112025 0.724051 O\n0.112026 0.362025 0.224051 O\n",
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"volume": 172.2057265975754,
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"formula_full": "Cu8 O6",
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{
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"created_at": "2022-09-04T14:38:34.636418Z",
"updated_at": "2022-09-04T14:38:34.636454Z",
"structure_string": "Ca1 In1 Cu4\n1.0\n4.454300 0.000000 2.571692\n1.484767 4.199555 2.571692\n-0.000000 0.000000 5.143383\nCa In Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 In\n0.624472 0.126583 0.624471 Cu\n0.624472 0.624471 0.126583 Cu\n0.126584 0.624471 0.624471 Cu\n0.624472 0.624471 0.624471 Cu\n",
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}
]
}