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{
"id": "jvasp-56542",
"created_at": "2022-09-04T14:37:36.391808Z",
"updated_at": "2022-09-04T14:37:36.391820Z",
"structure_string": "Dy4 Mg2 Si4\n1.0\n7.157995 -0.000000 -0.000000\n-0.000000 7.157995 0.000000\n-0.000000 0.000000 4.220010\nDy Mg Si\n4 2 4\ndirect\n0.821581 0.678420 0.500000 Dy\n0.178420 0.321580 0.500000 Dy\n0.321580 0.821581 0.500000 Dy\n0.678420 0.178420 0.500000 Dy\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.881120 0.381120 0.000000 Si\n0.118881 0.618881 0.000000 Si\n0.381120 0.118881 0.000000 Si\n0.618881 0.881120 0.000000 Si\n",
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{
"id": "jvasp-108015",
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"structure_string": "Dy4 Mg3 Co2\n1.0\n3.671704 -0.000000 0.000000\n-0.000000 6.990935 2.491670\n0.000000 -0.017460 8.104443\nDy Mg Co\n4 3 2\ndirect\n0.499999 0.903906 0.225572 Dy\n0.499999 0.096093 0.774428 Dy\n0.499999 0.397554 0.324258 Dy\n0.499999 0.602445 0.675742 Dy\n0.000000 0.706404 0.001599 Mg\n0.000000 0.293596 0.998400 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.000000 0.651391 0.390555 Co\n0.000000 0.348609 0.609444 Co\n",
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{
"id": "jvasp-34982",
"created_at": "2022-09-04T14:38:12.794977Z",
"updated_at": "2022-09-04T14:38:12.795004Z",
"structure_string": "Dy4 Mg8\n1.0\n3.011830 -5.216642 0.000000\n3.011830 5.216642 -0.000000\n-0.000000 0.000000 9.717888\nDy Mg\n4 8\ndirect\n0.333333 0.666667 0.435188 Dy\n0.666667 0.333333 0.935188 Dy\n0.666667 0.333333 0.564812 Dy\n0.333333 0.666667 0.064812 Dy\n0.657811 0.828905 0.750000 Mg\n0.828905 0.657811 0.250000 Mg\n0.828905 0.171095 0.250000 Mg\n0.171095 0.828905 0.750000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.342189 0.171095 0.250000 Mg\n0.171095 0.342189 0.750000 Mg\n",
"nsites": 12,
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"elements": [
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"density": 4.591922196248687,
"density_atomic": 0.03929686206385433,
"volume": 305.367893764671,
"volume_molar": 15.324736998629794,
"formula_full": "Dy4 Mg8",
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"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-119502",
"created_at": "2022-09-04T14:38:50.850697Z",
"updated_at": "2022-09-04T14:38:50.850724Z",
"structure_string": "Dy4 Mn2 Sb2 O14\n1.0\n6.371322 -0.034455 -3.494182\n-2.051542 5.855534 -3.782609\n-0.016659 0.034455 7.266551\nDy Mn Sb O\n4 2 2 14\ndirect\n0.000000 0.500000 -0.000000 Dy\n-0.000000 -0.000000 0.500000 Dy\n-0.000000 0.499999 0.499999 Dy\n0.500000 0.500000 0.000000 Dy\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 -0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.590508 0.917084 0.255737 O\n0.161346 0.334770 0.244263 O\n0.580682 0.330682 0.250000 O\n0.167540 0.917539 0.249999 O\n0.409492 0.665229 0.326576 O\n0.838654 0.082916 0.173425 O\n0.832460 0.082460 0.750000 O\n0.838653 0.665229 0.755737 O\n0.419318 0.669317 0.749999 O\n0.161346 0.917083 0.826575 O\n0.126163 0.376162 0.749999 O\n0.873837 0.623837 0.250000 O\n0.409492 0.082915 0.744262 O\n0.590507 0.334770 0.673424 O\n",
"nsites": 22,
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"elements": [
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"O"
],
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"density": 7.51195637186928,
"density_atomic": 0.08108581329670972,
"volume": 271.31749816083686,
"volume_molar": 7.426873475343639,
"formula_full": "Dy4 Mn2 Sb2 O14",
"formula_reduced": "Dy2MnSbO7",
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"spacegroup": 74
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{
"id": "jvasp-62642",
"created_at": "2022-09-04T14:35:42.870707Z",
"updated_at": "2022-09-04T14:35:42.870728Z",
"structure_string": "Dy4 Mn4 B16\n1.0\n3.426286 0.000000 0.000000\n0.000000 5.899502 -0.000000\n0.000000 -0.000000 11.405537\nDy Mn B\n4 4 16\ndirect\n0.000000 0.125630 0.849513 Dy\n0.000000 0.874369 0.150487 Dy\n0.000000 0.374369 0.349513 Dy\n0.000000 0.625630 0.650487 Dy\n0.000000 0.127128 0.583552 Mn\n0.000000 0.872872 0.416448 Mn\n0.000000 0.372872 0.083552 Mn\n0.000000 0.627128 0.916448 Mn\n0.500001 0.525049 0.190779 B\n0.500001 0.474950 0.809221 B\n0.500001 0.887880 0.546283 B\n0.500001 0.112120 0.453717 B\n0.500001 0.612120 0.046283 B\n0.500001 0.387880 0.953718 B\n0.500001 0.861536 0.967850 B\n0.500001 0.780748 0.816432 B\n0.500001 0.638464 0.467849 B\n0.500001 0.361536 0.532151 B\n0.500001 0.025049 0.309221 B\n0.500001 0.219251 0.183569 B\n0.500001 0.719251 0.316431 B\n0.500001 0.280748 0.683569 B\n0.500001 0.138464 0.032151 B\n0.500001 0.974950 0.690779 B\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "B-Dy-Mn",
"density": 7.51044216208086,
"density_atomic": 0.10410139268054269,
"volume": 230.54446614032452,
"volume_molar": 5.784880110567034,
"formula_full": "Dy4 Mn4 B16",
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"formula_anonymous": "ABC4",
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"spacegroup": 55
},
{
"id": "jvasp-59706",
"created_at": "2022-09-04T14:38:33.854566Z",
"updated_at": "2022-09-04T14:38:33.854589Z",
"structure_string": "Dy4 Mn4 Ge4\n1.0\n4.105466 -0.000000 0.000000\n-0.000000 7.049724 0.000000\n0.000000 0.000000 7.838271\nDy Mn Ge\n4 4 4\ndirect\n0.250000 0.520441 0.183987 Dy\n0.750001 0.479558 0.816013 Dy\n0.250000 0.020442 0.316013 Dy\n0.750001 0.979558 0.683987 Dy\n0.750001 0.366515 0.443750 Mn\n0.250000 0.133484 0.943750 Mn\n0.750001 0.866515 0.056250 Mn\n0.250000 0.633484 0.556250 Mn\n0.250000 0.275643 0.616170 Ge\n0.750001 0.224356 0.116170 Ge\n0.250000 0.775643 0.883830 Ge\n0.750001 0.724356 0.383830 Ge\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Dy-Ge-Mn",
"density": 8.49315596982717,
"density_atomic": 0.052896434231631186,
"volume": 226.85839176706168,
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"formula_full": "Dy4 Mn4 Ge4",
"formula_reduced": "DyMnGe",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-55793",
"created_at": "2022-09-04T14:38:00.749919Z",
"updated_at": "2022-09-04T14:38:00.749944Z",
"structure_string": "Dy4 Mn4 O12\n1.0\n5.270462 0.000000 0.000000\n-0.000000 5.661146 0.000000\n0.000000 0.000000 7.559500\nDy Mn O\n4 4 12\ndirect\n0.019318 0.925293 0.750000 Dy\n0.519318 0.574708 0.250000 Dy\n0.480682 0.425293 0.750000 Dy\n0.980682 0.074708 0.250000 Dy\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.608723 0.034809 0.750000 O\n0.108723 0.465191 0.250000 O\n0.695983 0.309024 0.054790 O\n0.195983 0.190976 0.945210 O\n0.804016 0.809024 0.445210 O\n0.195983 0.190976 0.554789 O\n0.304017 0.690977 0.945210 O\n0.804016 0.809024 0.054790 O\n0.891277 0.534809 0.750000 O\n0.695983 0.309024 0.445210 O\n0.304017 0.690977 0.554789 O\n0.391277 0.965192 0.250000 O\n",
"nsites": 20,
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"spacegroup": 62
},
{
"id": "jvasp-44245",
"created_at": "2022-09-04T14:38:12.509999Z",
"updated_at": "2022-09-04T14:38:12.510022Z",
"structure_string": "Dy4 Mn4 O14\n1.0\n0.000000 4.976997 4.976997\n4.976997 0.000000 4.976997\n4.976997 4.976997 0.000000\nDy Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.921707 0.328294 0.921707 O\n0.625000 0.625000 0.625000 O\n0.328294 0.328294 0.921707 O\n0.921707 0.921707 0.328294 O\n0.328294 0.921707 0.328294 O\n0.671707 0.078294 0.671707 O\n0.078294 0.078294 0.671707 O\n0.375000 0.375000 0.375000 O\n0.671707 0.671707 0.078294 O\n0.078294 0.671707 0.671707 O\n0.921707 0.328294 0.328294 O\n0.671707 0.078294 0.078294 O\n0.078294 0.671707 0.078294 O\n0.328294 0.921707 0.921707 O\n",
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"volume": 246.56539979674673,
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"formula_full": "Dy4 Mn4 O14",
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"spacegroup": 227
},
{
"id": "jvasp-14314",
"created_at": "2022-09-04T14:37:08.630138Z",
"updated_at": "2022-09-04T14:37:08.630168Z",
"structure_string": "Dy4 Mn4 Si4\n1.0\n4.135306 0.000000 0.000000\n-0.000000 6.987560 0.000000\n0.000000 0.000000 7.413325\nDy Mn Si\n4 4 4\ndirect\n0.250000 0.002627 0.812911 Dy\n0.750001 0.997373 0.187088 Dy\n0.250000 0.502627 0.687088 Dy\n0.750001 0.497373 0.312911 Dy\n0.750001 0.859383 0.560885 Mn\n0.250000 0.140617 0.439115 Mn\n0.750001 0.359383 0.939114 Mn\n0.250000 0.640617 0.060885 Mn\n0.250000 0.291828 0.108133 Si\n0.750001 0.708172 0.891867 Si\n0.250000 0.791828 0.391867 Si\n0.750001 0.208172 0.608132 Si\n",
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],
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"volume": 214.21320625728555,
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"formula_full": "Dy4 Mn4 Si4",
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"spacegroup": 62
},
{
"id": "jvasp-97691",
"created_at": "2022-09-04T14:36:14.303656Z",
"updated_at": "2022-09-04T14:36:14.303683Z",
"structure_string": "Dy4 Mn8 O20\n1.0\n5.656007 0.000000 0.000000\n0.000000 7.232405 -0.000000\n0.000000 0.000000 8.523048\nDy Mn O\n4 8 20\ndirect\n0.000000 0.137772 0.172285 Dy\n0.000000 0.637772 0.327715 Dy\n0.000000 0.362228 0.672285 Dy\n0.000000 0.862229 0.827715 Dy\n0.255825 0.000000 0.500000 Mn\n0.744176 0.500000 0.000000 Mn\n0.744176 0.000000 0.500000 Mn\n0.255825 0.500000 0.000000 Mn\n0.500000 0.406333 0.351904 Mn\n0.500000 0.593667 0.648096 Mn\n0.500000 0.906334 0.148096 Mn\n0.500000 0.093667 0.851904 Mn\n0.000000 0.334847 0.945273 O\n0.000000 0.665154 0.054728 O\n0.000000 0.834847 0.554728 O\n0.000000 0.165154 0.445272 O\n0.245716 0.896479 0.293014 O\n0.729518 0.500000 0.500000 O\n0.270482 0.000000 0.000000 O\n0.500000 0.154815 0.431929 O\n0.500000 0.845185 0.568071 O\n0.500000 0.654816 0.068071 O\n0.500000 0.345185 0.931929 O\n0.245716 0.396479 0.206986 O\n0.245716 0.603522 0.793015 O\n0.754284 0.896479 0.293014 O\n0.754284 0.103522 0.706986 O\n0.754284 0.603522 0.793015 O\n0.754284 0.396479 0.206986 O\n0.245716 0.103522 0.706986 O\n0.729518 0.000000 0.000000 O\n0.270482 0.500000 0.500000 O\n",
"nsites": 32,
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"density": 6.713116952215912,
"density_atomic": 0.09178302517608762,
"volume": 348.6483468877534,
"volume_molar": 6.561279439685497,
"formula_full": "Dy4 Mn8 O20",
"formula_reduced": "DyMn2O5",
"formula_anonymous": "AB2C5",
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"spacegroup": 55
},
{
"id": "jvasp-120450",
"created_at": "2022-09-04T14:38:38.002723Z",
"updated_at": "2022-09-04T14:38:38.002742Z",
"structure_string": "Dy4 Mo4 Br4 O16\n1.0\n6.561581 -0.042048 -2.046664\n-1.013001 6.884378 -1.848995\n-0.028287 0.097704 10.877549\nDy Mo Br O\n4 4 4 16\ndirect\n0.647933 0.121983 0.732747 Dy\n0.352067 0.878017 0.267254 Dy\n0.387616 0.657209 0.766996 Dy\n0.612384 0.342790 0.233005 Dy\n0.731682 0.811935 0.132828 Mo\n0.268317 0.188065 0.867173 Mo\n0.776097 0.597527 0.627414 Mo\n0.223902 0.402472 0.372586 Mo\n0.814984 0.289577 0.022273 Br\n0.185016 0.710423 0.977728 Br\n0.742357 0.010584 0.481219 Br\n0.257643 0.989416 0.518782 Br\n0.330467 0.488340 0.549490 O\n0.669533 0.511660 0.450511 O\n0.273362 0.586114 0.299590 O\n0.726638 0.413886 0.700411 O\n0.956983 0.340031 0.331251 O\n0.043017 0.659968 0.668749 O\n0.599350 0.014147 0.176871 O\n0.331509 0.273923 0.042128 O\n0.375884 0.354605 0.797518 O\n0.624115 0.645395 0.202483 O\n-0.000233 0.128546 0.793630 O\n0.000233 0.871453 0.206370 O\n0.655518 0.794536 0.702142 O\n0.668490 0.726076 0.957873 O\n0.400650 0.985853 0.823130 O\n0.344481 0.205464 0.297859 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"volume": 491.88889206206227,
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"formula_full": "Dy4 Mo4 Br4 O16",
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"spacegroup": 2
},
{
"id": "jvasp-119109",
"created_at": "2022-09-04T14:38:51.490965Z",
"updated_at": "2022-09-04T14:38:51.490990Z",
"structure_string": "Dy4 Mo4 O20\n1.0\n12.444645 0.000000 0.000000\n-0.000000 4.715951 2.417970\n-0.000000 0.025128 6.865394\nDy Mo O\n4 4 20\ndirect\n0.059475 0.657160 0.716779 Dy\n0.940526 0.342840 0.283221 Dy\n0.559475 0.342841 0.783220 Dy\n0.440525 0.657160 0.216779 Dy\n0.363729 0.913270 0.647817 Mo\n0.636272 0.086730 0.352183 Mo\n0.863729 0.086730 0.852183 Mo\n0.136271 0.913270 0.147817 Mo\n0.057372 0.707269 0.041615 O\n0.236134 0.768794 0.737728 O\n0.763867 0.231206 0.262272 O\n0.339563 0.232147 0.415259 O\n0.263866 0.768794 0.237728 O\n0.660437 0.767853 0.584740 O\n0.942628 0.292731 0.958384 O\n0.736134 0.231206 0.762271 O\n0.557372 0.292731 0.458384 O\n0.078195 0.018486 0.343633 O\n0.578196 0.981514 0.156367 O\n0.421805 0.018487 0.843632 O\n0.160437 0.232148 0.915259 O\n0.921805 0.981514 0.656367 O\n0.057488 0.456892 0.486831 O\n0.942513 0.543108 0.513168 O\n0.557488 0.543108 0.013169 O\n0.442512 0.456893 0.986831 O\n0.442628 0.707269 0.541615 O\n0.839563 0.767853 0.084741 O\n",
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"elements": [
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"formula_full": "Dy4 Mo4 O20",
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"spacegroup": 14
}
]
}