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{
"id": "jvasp-26181",
"created_at": "2022-09-04T14:38:03.227341Z",
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"structure_string": "Ca2 B5 Os3\n1.0\n3.901008 -0.000014 1.192834\n1.790937 5.217856 1.118203\n0.002498 -0.030504 6.967242\nCa B Os\n2 5 3\ndirect\n0.073545 0.558066 0.760738 Ca\n0.392356 0.441937 0.239265 Ca\n0.735313 0.500001 0.500003 B\n0.475531 0.937688 0.119673 B\n0.532893 0.062318 0.880325 B\n0.374063 0.017406 0.689677 B\n0.081143 0.982589 0.310320 B\n0.010209 0.000004 -0.000003 Os\n0.878701 0.136063 0.597885 Os\n0.612649 0.863937 0.402110 Os\n",
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{
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{
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"updated_at": "2022-09-04T14:36:02.733454Z",
"structure_string": "Pr2 Ga5 Cu3\n1.0\n4.255500 0.000000 0.000000\n0.000000 4.255500 0.000000\n0.000000 0.000000 10.255638\nPr Ga Cu\n2 5 3\ndirect\n0.500000 0.000000 0.743939 Pr\n0.000000 0.500000 0.256061 Pr\n0.000000 0.500000 0.863594 Ga\n0.500000 0.000000 0.381026 Ga\n0.500000 0.000000 0.136406 Ga\n0.000000 0.500000 0.618975 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 10,
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{
"id": "jvasp-97828",
"created_at": "2022-09-04T14:35:42.566331Z",
"updated_at": "2022-09-04T14:35:42.566358Z",
"structure_string": "Nb12 Cl20 O8\n1.0\n6.732077 0.000000 0.000000\n0.000000 8.162628 0.000000\n0.000000 0.000000 14.592478\nNb Cl O\n12 20 8\ndirect\n0.000000 0.027878 0.134063 Nb\n0.711831 0.741903 0.259876 Nb\n0.788169 0.241903 0.240124 Nb\n0.788169 0.758097 0.759876 Nb\n0.288169 0.258097 0.740124 Nb\n0.711831 0.258097 0.740124 Nb\n0.211831 0.758097 0.759876 Nb\n0.211831 0.241903 0.240124 Nb\n0.500000 0.472122 0.634063 Nb\n0.500000 0.527878 0.365937 Nb\n0.288169 0.741903 0.259876 Nb\n0.000000 0.972122 0.865937 Nb\n0.500000 0.206621 0.360251 Cl\n0.000000 0.222987 0.627991 Cl\n0.000000 0.777013 0.372009 Cl\n0.500000 0.722988 0.872009 Cl\n0.500000 0.277013 0.127991 Cl\n0.000000 0.293379 0.860251 Cl\n0.000000 0.706621 0.139749 Cl\n0.500000 0.793379 0.639749 Cl\n0.500000 0.291851 0.874992 Cl\n0.000000 0.791851 0.625008 Cl\n0.500000 0.708149 0.125008 Cl\n0.500000 0.829795 0.390618 Cl\n0.000000 0.670206 0.890618 Cl\n0.000000 0.329795 0.109383 Cl\n0.500000 0.170205 0.609383 Cl\n0.255931 0.500000 0.500000 Cl\n0.755932 0.000000 0.000000 Cl\n0.744069 0.500000 0.500000 Cl\n0.000000 0.208149 0.374992 Cl\n0.244069 0.000000 0.000000 Cl\n0.223539 0.991530 0.226348 O\n0.223539 0.008471 0.773652 O\n0.276461 0.491530 0.273652 O\n0.276461 0.508471 0.726349 O\n0.776462 0.008471 0.773652 O\n0.776462 0.991530 0.226348 O\n0.723539 0.508471 0.726349 O\n0.723539 0.491530 0.273652 O\n",
"nsites": 40,
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"formula_full": "Nb12 Cl20 O8",
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{
"id": "jvasp-98494",
"created_at": "2022-09-04T14:35:43.179571Z",
"updated_at": "2022-09-04T14:35:43.179601Z",
"structure_string": "Nd12 S8 Br20\n1.0\n6.865306 0.000000 0.000000\n0.000000 7.239248 0.000000\n0.000000 0.000000 22.575989\nNd S Br\n12 8 20\ndirect\n0.055559 0.953437 0.250000 Nd\n0.444442 0.453437 0.250000 Nd\n0.944442 0.046563 0.750000 Nd\n0.054256 0.379902 0.103063 Nd\n0.554256 0.120098 0.896937 Nd\n0.445744 0.879902 0.396937 Nd\n0.945745 0.620099 0.603063 Nd\n0.945745 0.620099 0.896937 Nd\n0.445744 0.879902 0.103063 Nd\n0.554256 0.120098 0.603063 Nd\n0.054256 0.379902 0.396937 Nd\n0.555559 0.546563 0.750000 Nd\n0.694252 0.833637 0.825769 S\n0.194251 0.666364 0.325769 S\n0.694252 0.833637 0.674231 S\n0.305749 0.166364 0.174231 S\n0.805749 0.333636 0.825769 S\n0.805749 0.333636 0.674231 S\n0.305749 0.166364 0.325769 S\n0.194251 0.666364 0.174231 S\n0.352373 0.482040 0.880810 Br\n0.632830 0.831937 0.250000 Br\n0.132830 0.668063 0.750000 Br\n0.867171 0.331937 0.250000 Br\n0.163723 0.682649 0.480058 Br\n0.352373 0.482040 0.619190 Br\n0.663723 0.817352 0.519942 Br\n0.836278 0.317352 0.980058 Br\n0.836278 0.317352 0.519942 Br\n0.336278 0.182649 0.480058 Br\n0.663723 0.817352 0.980058 Br\n0.163723 0.682649 0.019942 Br\n0.367170 0.168063 0.750000 Br\n0.147628 0.982041 0.619190 Br\n0.647628 0.517960 0.380810 Br\n0.647628 0.517960 0.119190 Br\n0.147628 0.982041 0.880810 Br\n0.852373 0.017960 0.380810 Br\n0.336278 0.182649 0.019942 Br\n0.852373 0.017960 0.119190 Br\n",
"nsites": 40,
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],
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"formula_full": "Nd12 S8 Br20",
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"spacegroup": 62
},
{
"id": "jvasp-48320",
"created_at": "2022-09-04T14:35:45.288995Z",
"updated_at": "2022-09-04T14:35:45.289024Z",
"structure_string": "Mn6 O4 F10\n1.0\n6.314213 0.007312 -0.007919\n-0.008272 7.021848 -0.005295\n-3.143422 -3.507496 6.925786\nMn O F\n6 4 10\ndirect\n0.110403 0.109405 0.216426 Mn\n0.502025 0.000951 0.499714 Mn\n0.002035 0.000978 0.499723 Mn\n0.502073 0.500966 0.499751 Mn\n0.002064 0.500990 0.499750 Mn\n0.893680 0.892603 0.783040 Mn\n0.979337 0.200843 0.399400 O\n0.424398 0.200805 0.399363 O\n0.024751 0.801131 0.600069 O\n0.579689 0.801126 0.600101 O\n0.854916 0.554247 0.705448 F\n0.196883 0.001018 0.999698 F\n0.807198 0.001065 -0.000235 F\n0.149236 0.447743 0.294058 F\n0.854880 0.153331 0.705387 F\n0.332519 0.118636 0.660655 F\n0.671607 0.457797 0.338821 F\n0.671556 0.883285 0.338792 F\n0.332520 0.544144 0.660670 F\n0.149147 0.848627 0.294037 F\n",
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"volume": 306.7798973225788,
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{
"id": "jvasp-22001",
"created_at": "2022-09-04T14:38:14.843090Z",
"updated_at": "2022-09-04T14:38:14.843109Z",
"structure_string": "Dy4 Si10 Rh6\n1.0\n5.419136 0.000000 2.020973\n2.265392 7.527620 2.201519\n0.042063 -0.055833 8.163264\nDy Si Rh\n4 10 6\ndirect\n0.867994 0.863291 0.400720 Dy\n0.632006 0.599279 0.136709 Dy\n0.367994 0.400721 0.863290 Dy\n0.132005 0.136710 0.599279 Dy\n0.250000 0.500000 0.500000 Si\n0.750000 0.500000 0.499999 Si\n0.104690 0.737616 0.053004 Si\n0.472340 0.777660 0.777660 Si\n0.027660 0.222340 0.222340 Si\n0.604691 0.053004 0.737615 Si\n0.395309 0.946997 0.262384 Si\n0.895309 0.262384 0.946996 Si\n0.972340 0.777660 0.777659 Si\n0.527660 0.222340 0.222340 Si\n0.750001 -0.000000 -0.000000 Rh\n0.860030 0.530343 0.749597 Rh\n0.360029 0.749598 0.530343 Rh\n0.639971 0.250402 0.469657 Rh\n0.250000 -0.000000 -0.000000 Rh\n0.139970 0.469657 0.250402 Rh\n",
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{
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"created_at": "2022-09-04T14:38:26.948895Z",
"updated_at": "2022-09-04T14:38:26.948907Z",
"structure_string": "Sc4 Co6 Si10\n1.0\n7.258258 -0.012922 2.463133\n-1.401021 7.121770 2.463133\n-0.001890 -0.002294 5.357196\nSc Co Si\n4 6 10\ndirect\n0.872207 0.591109 0.765274 Sc\n0.408892 0.127794 0.734725 Sc\n0.127793 0.408892 0.234725 Sc\n0.591109 0.872207 0.265274 Sc\n0.002405 0.997595 0.750000 Co\n0.543903 0.262947 0.126991 Co\n0.997595 0.002406 0.249999 Co\n0.456098 0.737054 0.873007 Co\n0.262947 0.543903 0.626992 Co\n0.737054 0.456098 0.373007 Co\n0.773574 0.226427 0.749999 Si\n0.075279 0.265762 0.828755 Si\n0.734239 0.924721 0.671244 Si\n0.924721 0.734239 0.171244 Si\n0.265761 0.075279 0.328754 Si\n0.209349 0.790651 0.750000 Si\n0.790651 0.209349 0.249999 Si\n0.513768 0.486233 0.750000 Si\n0.486233 0.513768 0.249999 Si\n0.226426 0.773574 0.249999 Si\n",
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{
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"created_at": "2022-09-04T14:38:26.868011Z",
"updated_at": "2022-09-04T14:38:26.868042Z",
"structure_string": "Sr2 Mg3 In5\n1.0\n4.681353 -0.000000 0.000000\n0.000000 4.681353 0.000000\n0.000000 0.000000 12.797767\nSr Mg In\n2 3 5\ndirect\n0.500000 0.000000 0.750193 Sr\n-0.000000 0.500000 0.249807 Sr\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.142004 In\n-0.000000 0.500000 0.635875 In\n-0.000000 0.500000 0.857996 In\n0.500000 0.000000 0.364125 In\n0.500000 0.500000 -0.000000 In\n",
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},
{
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"created_at": "2022-09-04T14:37:31.601066Z",
"updated_at": "2022-09-04T14:37:31.601094Z",
"structure_string": "Sr3 Fe2 O5\n1.0\n3.505572 0.000013 -0.578967\n-0.117338 3.810434 -0.710638\n-0.060309 -0.010035 10.538284\nSr Fe O\n3 2 5\ndirect\n0.314660 0.314656 0.629286 Sr\n0.685339 0.685343 0.370713 Sr\n0.500000 0.499999 -0.000000 Sr\n0.094819 0.094825 0.189674 Fe\n0.905181 0.905174 0.810325 Fe\n0.190339 0.190348 0.380725 O\n0.809661 0.809651 0.619273 O\n0.094721 0.594727 0.189478 O\n0.905278 0.405273 0.810520 O\n0.000000 0.000001 0.999999 O\n",
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},
{
"id": "jvasp-21833",
"created_at": "2022-09-04T14:37:31.323050Z",
"updated_at": "2022-09-04T14:37:31.323071Z",
"structure_string": "Tb4 Si10 Rh6\n1.0\n5.431061 -0.011456 -1.874746\n-2.985061 7.560763 -0.467403\n-0.029068 0.024588 8.142036\nTb Si Rh\n4 10 6\ndirect\n0.736824 0.598922 0.866306 Tb\n0.263175 0.401078 0.133694 Tb\n0.236825 0.866306 0.598923 Tb\n0.763175 0.133694 0.401078 Tb\n0.250000 0.212427 0.787573 Si\n0.750000 0.787572 0.212427 Si\n0.162013 0.057363 0.264892 Si\n0.750000 0.489703 0.510296 Si\n0.250000 0.510296 0.489704 Si\n0.662012 0.264891 0.057363 Si\n0.837987 0.942636 0.735109 Si\n0.337987 0.735108 0.942637 Si\n0.250000 0.775228 0.224771 Si\n0.750000 0.224771 0.775229 Si\n0.750000 0.997874 0.002125 Rh\n0.123929 0.462693 0.742180 Rh\n0.623929 0.742179 0.462693 Rh\n0.876070 0.537306 0.257820 Rh\n0.250000 0.002125 0.997875 Rh\n0.376070 0.257820 0.537307 Rh\n",
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{
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"created_at": "2022-09-04T14:38:34.194138Z",
"updated_at": "2022-09-04T14:38:34.194164Z",
"structure_string": "Mg6 B4 Rh10\n1.0\n9.468553 -0.000000 0.000000\n0.000000 9.468553 0.000000\n-0.000000 -0.000000 2.945968\nMg B Rh\n6 4 10\ndirect\n0.676792 0.176792 -0.000000 Mg\n0.323208 0.823207 -0.000000 Mg\n0.176792 0.323208 -0.000000 Mg\n0.823207 0.676792 -0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.626256 0.873744 -0.000000 B\n0.373744 0.126256 -0.000000 B\n0.126256 0.626256 -0.000000 B\n0.873744 0.373744 -0.000000 B\n0.571007 0.719378 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.219378 0.071007 0.500000 Rh\n0.780622 0.928992 0.500000 Rh\n0.071007 0.780622 0.500000 Rh\n0.719378 0.428993 0.500000 Rh\n0.928992 0.219378 0.500000 Rh\n0.280622 0.571007 0.500000 Rh\n0.428993 0.280622 0.500000 Rh\n",
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}
]
}