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{
"id": "jvasp-13018",
"created_at": "2022-09-04T14:36:33.510003Z",
"updated_at": "2022-09-04T14:36:33.510029Z",
"structure_string": "Li5 Sb1 O5\n1.0\n4.040813 0.000000 0.000000\n-2.020407 4.590761 -1.587368\n0.000000 0.010778 5.827916\nLi Sb O\n5 1 5\ndirect\n0.712672 0.425346 0.344656 Li\n0.000000 0.000000 0.500000 Li\n0.311199 0.622400 0.141103 Li\n0.688800 0.377600 0.858898 Li\n0.287327 0.574654 0.655345 Li\n0.000000 0.000000 0.000000 Sb\n0.854485 0.708971 0.174884 O\n0.500000 0.000000 0.000000 O\n0.158450 0.316903 0.319418 O\n0.841548 0.683097 0.680582 O\n0.145514 0.291029 0.825116 O\n",
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{
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"formula_full": "Li2 Mn6 O8",
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{
"id": "jvasp-74691",
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"updated_at": "2022-09-04T14:35:44.729137Z",
"structure_string": "Mn1 Be2 Ni1\n1.0\n-1.907917 1.907917 2.701630\n1.907917 -1.907917 2.701630\n1.907917 1.907917 -2.701630\nMn Be Ni\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Ni\n",
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{
"id": "jvasp-8822",
"created_at": "2022-09-04T14:36:46.840965Z",
"updated_at": "2022-09-04T14:36:46.840992Z",
"structure_string": "P2 H2 N4\n1.0\n4.721248 0.000219 -0.002705\n-0.000247 4.726917 -0.003627\n-2.356818 -2.360615 3.528313\nP H N\n2 2 4\ndirect\n0.989800 0.989656 0.979671 P\n0.260202 0.759979 0.520322 P\n0.491693 0.374792 0.248659 H\n0.758278 0.876152 0.251361 H\n0.125063 0.724746 0.750065 N\n0.274727 0.374814 0.249749 N\n0.624997 0.024801 0.749928 N\n0.975236 0.875060 0.250244 N\n",
"nsites": 8,
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"elements": [
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],
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{
"id": "jvasp-97663",
"created_at": "2022-09-04T14:35:57.960144Z",
"updated_at": "2022-09-04T14:35:57.960153Z",
"structure_string": "H12 Cl4 O20\n1.0\n8.131565 0.000000 0.000000\n0.000000 5.966691 -0.000000\n0.000000 -0.000000 7.296064\nH Cl O\n12 4 20\ndirect\n0.091725 0.611582 0.177203 H\n0.591726 0.888418 0.322797 H\n0.908275 0.111582 0.822797 H\n0.408275 0.388418 0.677202 H\n0.908275 0.388418 0.822797 H\n0.408275 0.111582 0.677202 H\n0.091725 0.888418 0.177203 H\n0.591726 0.611582 0.322797 H\n0.244538 0.750000 0.074505 H\n0.744539 0.750000 0.425494 H\n0.755462 0.250000 -0.074505 H\n0.255462 0.250000 0.574505 H\n0.565474 0.750000 0.815134 Cl\n0.065474 0.750000 0.684865 Cl\n0.934526 0.250000 0.315134 Cl\n0.434526 0.250000 0.184865 Cl\n0.060769 0.550351 0.805034 O\n0.665241 0.750000 0.322621 O\n0.165241 0.750000 0.177379 O\n0.439231 0.050351 0.305034 O\n-0.060769 0.449649 0.194965 O\n0.560769 0.550351 0.694965 O\n0.060769 0.949649 0.805034 O\n0.560769 0.949649 0.694965 O\n0.439231 0.449649 0.305034 O\n0.282791 0.250000 0.082743 O\n0.424081 0.750000 -0.062773 O\n-0.075920 0.750000 0.562773 O\n0.575920 0.250000 0.062773 O\n0.075920 0.250000 0.437227 O\n0.717209 0.750000 0.917256 O\n0.217209 0.750000 0.582743 O\n0.834760 0.250000 0.822620 O\n0.782792 0.250000 0.417256 O\n-0.060769 0.050351 0.194965 O\n0.334759 0.250000 0.677379 O\n",
"nsites": 36,
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"formula_full": "H12 Cl4 O20",
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{
"id": "jvasp-48243",
"created_at": "2022-09-04T14:36:00.838780Z",
"updated_at": "2022-09-04T14:36:00.838810Z",
"structure_string": "V2 Cr2 O8\n1.0\n5.796309 -0.000000 0.000000\n2.898155 4.453139 -0.727683\n2.898155 0.798314 4.441020\nV Cr O\n2 2 8\ndirect\n0.231495 0.018505 0.018505 V\n0.768504 0.981494 0.981495 V\n-0.000001 0.500000 0.500000 Cr\n0.499999 0.500000 0.500000 Cr\n0.296848 0.198498 0.198498 O\n0.252023 0.298562 0.697390 O\n0.252023 0.697390 0.298563 O\n0.193842 0.801502 0.801502 O\n0.806157 0.198498 0.198498 O\n0.747976 0.302609 0.701437 O\n0.747976 0.701437 0.302610 O\n0.703151 0.801502 0.801502 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.698434739431606,
"density_atomic": 0.10169683336639275,
"volume": 117.9977743925071,
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"formula_full": "V2 Cr2 O8",
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"formula_anonymous": "ABC4",
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"spacegroup": 74
},
{
"id": "jvasp-44144",
"created_at": "2022-09-04T14:38:28.985098Z",
"updated_at": "2022-09-04T14:38:28.985122Z",
"structure_string": "Mn6 O10 F2\n1.0\n-4.575930 4.575930 2.915683\n-0.076726 4.498672 -2.915508\n-4.498672 0.076726 -2.915508\nMn O F\n6 10 2\ndirect\n0.820616 0.662333 0.662333 Mn\n0.666667 0.333333 0.333333 Mn\n0.345387 0.648083 0.648083 Mn\n0.166667 0.333333 0.333333 Mn\n0.512717 0.004335 0.004335 Mn\n0.987947 0.018585 0.018585 Mn\n0.000188 0.700329 0.307632 O\n0.000188 0.307632 0.700329 O\n0.666667 0.637287 0.029380 O\n0.333145 0.966337 0.359036 O\n0.374208 0.427882 0.427882 O\n0.631370 0.560579 0.560579 O\n0.959124 0.238786 0.238786 O\n0.333145 0.359036 0.966337 O\n0.666667 0.029380 0.637287 O\n0.701962 0.106088 0.106088 O\n0.298508 0.895452 0.895452 F\n0.034824 0.771217 0.771217 F\n",
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},
{
"id": "jvasp-58177",
"created_at": "2022-09-04T14:36:44.470748Z",
"updated_at": "2022-09-04T14:36:44.470776Z",
"structure_string": "Mg4 Mn2 Ir2 O12\n1.0\n0.000000 5.044890 0.023466\n5.253766 0.000000 0.000000\n0.000000 -4.977901 -7.442321\nMg Mn Ir O\n4 2 2 12\ndirect\n0.239986 0.939254 0.251053 Mg\n0.760014 0.439254 0.248947 Mg\n0.239986 0.560747 0.751053 Mg\n0.760014 0.060747 0.748947 Mg\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 -0.000000 Ir\n0.101087 0.806488 0.927706 O\n0.248431 0.322174 0.933863 O\n0.898913 0.306488 0.572293 O\n0.623028 0.069505 0.256256 O\n0.376972 0.930495 0.743744 O\n0.898913 0.193513 0.072293 O\n0.751568 0.677827 0.066136 O\n0.248431 0.177826 0.433863 O\n0.751568 0.822174 0.566136 O\n0.623028 0.430495 0.756256 O\n0.101087 0.693513 0.427706 O\n0.376972 0.569506 0.243744 O\n",
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],
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{
"id": "jvasp-87318",
"created_at": "2022-09-04T14:36:22.166582Z",
"updated_at": "2022-09-04T14:36:22.166607Z",
"structure_string": "Al4 Si4 H8 O18\n1.0\n2.580456 4.512532 -0.300760\n-2.580456 4.512532 0.300760\n0.001132 0.000000 14.352681\nAl Si H O\n4 4 8 18\ndirect\n0.662349 0.831011 0.731485 Al\n0.168989 0.337650 0.231485 Al\n0.003032 0.160504 0.730133 Al\n0.839495 0.996968 0.230133 Al\n0.611311 0.585574 0.536941 Si\n0.414426 0.388688 0.036941 Si\n0.927538 0.926907 0.536026 Si\n0.073093 0.072461 0.036026 Si\n0.858731 0.304572 0.358662 H\n0.695427 0.141269 0.858662 H\n0.244700 0.632785 0.359002 H\n0.367215 0.755300 0.859002 H\n0.555224 0.953038 0.360570 H\n0.046962 0.444776 0.860570 H\n0.670692 0.691796 0.154668 H\n0.308204 0.329307 0.654668 H\n0.142968 0.646091 0.298441 O\n0.353909 0.857032 0.798441 O\n0.523845 0.031245 0.294859 O\n0.968754 0.476155 0.794859 O\n0.858922 0.691169 0.154481 O\n0.308830 0.141077 0.654481 O\n0.089876 0.073485 0.149068 O\n0.926514 0.910123 0.649068 O\n0.715312 0.808126 0.488778 O\n0.686964 0.530113 0.649690 O\n0.277747 0.741166 0.000861 O\n0.258833 0.722253 0.500861 O\n0.729164 0.209076 0.988456 O\n0.790923 0.270836 0.488456 O\n0.191874 0.284688 0.988778 O\n0.739180 0.091703 0.794750 O\n0.469886 0.313035 0.149690 O\n0.908297 0.260820 0.294750 O\n",
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{
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"structure_string": "Co21 B6 W2\n1.0\n6.397697 0.000000 3.693711\n2.132565 6.031807 3.693711\n0.000000 0.000000 7.387424\nCo B W\n21 6 2\ndirect\n0.000000 0.338383 0.661617 Co\n0.618358 0.618358 0.144925 Co\n0.855074 0.381643 0.381642 Co\n0.381643 0.381643 0.381642 Co\n0.381643 0.855074 0.381641 Co\n0.661617 -0.000000 -0.000000 Co\n0.000000 0.661617 -0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.618358 0.144926 0.618357 Co\n0.661617 -0.000000 0.338382 Co\n-0.000000 -0.000000 0.338383 Co\n0.000000 0.338383 -0.000000 Co\n0.338383 0.661617 -0.000001 Co\n0.000000 0.661617 0.338382 Co\n0.661618 0.338383 -0.000001 Co\n0.338383 -0.000000 0.661617 Co\n0.338383 -0.000000 -0.000000 Co\n0.618358 0.618358 0.618357 Co\n-0.000000 -0.000000 0.661617 Co\n0.144927 0.618358 0.618357 Co\n0.381643 0.381643 0.855073 Co\n0.724881 0.275120 0.275119 B\n0.724881 0.724881 0.275119 B\n0.275120 0.724881 0.724879 B\n0.724881 0.275120 0.724879 B\n0.275120 0.275120 0.724879 B\n0.275120 0.724881 0.275119 B\n0.250000 0.250000 0.250000 W\n0.750001 0.750000 0.749999 W\n",
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{
"id": "jvasp-33316",
"created_at": "2022-09-04T14:37:05.195624Z",
"updated_at": "2022-09-04T14:37:05.195647Z",
"structure_string": "Mn1 H8 N4 Cl2\n1.0\n4.326720 4.001871 -1.247207\n-4.326720 4.001871 1.247207\n-0.038917 0.000000 4.269180\nMn H N Cl\n1 8 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.011906 0.332797 0.447211 H\n0.667203 0.988094 0.447211 H\n0.988093 0.667203 0.552789 H\n0.332796 0.011906 0.552789 H\n0.260467 0.369431 0.702609 H\n0.630569 0.739533 0.702609 H\n0.739533 0.630569 0.297391 H\n0.369431 0.260467 0.297391 H\n0.146077 0.250180 0.601553 N\n0.749820 0.853923 0.601553 N\n0.853923 0.749821 0.398447 N\n0.250179 0.146077 0.398447 N\n0.712127 0.287873 -0.018573 Cl\n0.287873 0.712127 0.018573 Cl\n",
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],
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{
"id": "jvasp-41953",
"created_at": "2022-09-04T14:37:47.589022Z",
"updated_at": "2022-09-04T14:37:47.589043Z",
"structure_string": "Be1 Fe2 Si1\n1.0\n-0.000000 2.698917 2.698917\n2.698917 -0.000000 2.698917\n2.698917 2.698917 -0.000000\nBe Fe Si\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.500001 0.500001 0.500001 Fe\n0.000000 0.000000 0.000000 Fe\n0.750001 0.750001 0.750001 Si\n",
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}
]
}