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{
"id": "jvasp-21497",
"created_at": "2022-09-04T14:38:31.085995Z",
"updated_at": "2022-09-04T14:38:31.086020Z",
"structure_string": "Li2 Ca1 Si1 O4\n1.0\n4.307840 -0.012569 -2.194060\n-2.686368 3.994473 -0.446270\n-0.008453 0.012569 4.834389\nLi Ca Si O\n2 1 1 4\ndirect\n0.499999 0.749999 0.250000 Li\n0.500000 0.250000 0.750000 Li\n-0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Si\n0.383935 0.334696 0.334697 O\n0.616064 0.950761 0.950761 O\n-0.000001 0.665303 0.049238 O\n0.000001 0.049239 0.665304 O\n",
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{
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"structure_string": "Li4 V4 Si4 O16\n1.0\n0.000000 6.007370 0.000075\n4.777976 0.000000 0.000000\n0.000000 -0.001973 -10.126922\nLi V Si O\n4 4 4 16\ndirect\n0.006429 0.727087 0.784505 Li\n0.006429 0.272913 0.284505 Li\n0.506637 0.227100 0.715493 Li\n0.506636 0.772901 0.215493 Li\n0.256528 0.750012 0.499999 V\n0.256528 0.249989 0.999999 V\n0.756530 0.249989 -0.000001 V\n0.756530 0.750011 0.499998 V\n0.006571 0.828915 0.093617 Si\n0.006571 0.171086 0.593616 Si\n0.506487 0.328935 0.406383 Si\n0.506487 0.671065 0.906383 Si\n0.232848 0.975017 0.152466 O\n0.506511 0.984022 0.415669 O\n0.506511 0.015979 0.915669 O\n0.232848 0.024984 0.652466 O\n0.780365 0.024955 0.652493 O\n0.006501 0.014140 0.442193 O\n0.506557 0.485884 0.557806 O\n0.280210 0.524965 0.847533 O\n0.732692 0.475063 0.347504 O\n0.006547 0.484000 0.084331 O\n0.006547 0.516001 0.584331 O\n0.732692 0.524938 0.847504 O\n0.780365 0.975046 0.152493 O\n0.506557 0.514117 0.057806 O\n0.280210 0.475035 0.347533 O\n0.006501 0.985860 0.942193 O\n",
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"formula_full": "Li4 V4 Si4 O16",
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{
"id": "jvasp-90808",
"created_at": "2022-09-04T14:36:13.841264Z",
"updated_at": "2022-09-04T14:36:13.841297Z",
"structure_string": "Be2 B1 O5\n1.0\n-2.254217 -3.865068 -0.217313\n-2.220138 3.845393 0.000000\n-0.244458 -0.141138 -4.830636\nBe B O\n2 1 5\ndirect\n0.348688 0.675162 0.898324 Be\n0.651314 0.326475 0.101676 Be\n-0.000000 -0.000094 0.000000 B\n0.388461 0.692900 0.554439 O\n0.611542 0.304440 0.445561 O\n0.695708 0.693500 0.990009 O\n0.304294 -0.002206 0.009991 O\n0.000000 0.309824 -0.000000 O\n",
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"spacegroup": 5
},
{
"id": "jvasp-97790",
"created_at": "2022-09-04T14:36:05.428336Z",
"updated_at": "2022-09-04T14:36:05.428362Z",
"structure_string": "Ti2 Fe2 O6\n1.0\n4.525645 0.023035 3.101480\n1.646552 4.215550 3.101480\n0.033543 0.023035 5.486303\nTi Fe O\n2 2 6\ndirect\n0.293092 0.293094 0.293092 Ti\n0.793091 0.793095 0.793091 Ti\n0.000367 0.000367 0.000367 Fe\n0.500367 0.500368 0.500366 Fe\n0.573695 0.192932 0.916915 O\n0.192928 0.916917 0.573696 O\n0.916916 0.573696 0.192930 O\n0.416916 0.692930 0.073695 O\n0.073695 0.416916 0.692930 O\n0.692931 0.073698 0.416914 O\n",
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"elements": [
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"volume": 103.8182069611446,
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"formula_full": "Ti2 Fe2 O6",
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"spacegroup": 161
},
{
"id": "jvasp-100536",
"created_at": "2022-09-04T14:36:38.694986Z",
"updated_at": "2022-09-04T14:36:38.695017Z",
"structure_string": "Ti1 B2 W1\n1.0\n4.514680 -0.000483 0.000000\n-3.385303 2.986981 0.000000\n0.000000 0.000000 3.079927\nTi B W\n1 2 1\ndirect\n0.146928 0.853072 0.500000 Ti\n0.440474 0.559527 0.500000 B\n0.559874 0.440127 0.000000 B\n0.852726 0.147275 0.000000 W\n",
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"formula_full": "Ti1 B2 W1",
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"spacegroup": 38
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{
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"created_at": "2022-09-04T14:36:17.710814Z",
"updated_at": "2022-09-04T14:36:17.710844Z",
"structure_string": "Li2 Fe1 F4\n1.0\n-0.000095 2.857216 2.857155\n4.451331 -2.857216 -0.000310\n0.000192 0.000000 -5.714309\nLi Fe F\n2 1 4\ndirect\n0.995855 0.499999 0.747929 Li\n0.996003 0.499999 0.248002 Li\n0.995808 -0.000001 0.997905 Fe\n0.521918 0.526013 0.760964 F\n0.469889 0.473985 0.234941 F\n0.495718 0.999996 0.497899 F\n0.495726 0.000002 0.997824 F\n",
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"density_atomic": 0.0963166257152209,
"volume": 72.67696462599179,
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"formula_full": "Li2 Fe1 F4",
"formula_reduced": "Li2FeF4",
"formula_anonymous": "AB2C4",
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"spacegroup": 139
},
{
"id": "jvasp-112836",
"created_at": "2022-09-04T14:38:44.756187Z",
"updated_at": "2022-09-04T14:38:44.756215Z",
"structure_string": "Li4 Co2 P4 O14\n1.0\n5.118528 0.067311 0.421136\n2.951892 4.182128 0.421136\n-0.193042 -0.101645 11.729444\nLi Co P O\n4 2 4 14\ndirect\n0.608670 0.089306 0.693390 Li\n0.910694 0.391330 0.806611 Li\n0.089307 0.608669 0.193390 Li\n0.391331 0.910693 0.306611 Li\n0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.000000 Co\n0.661275 0.229773 0.369327 P\n0.770227 0.338725 0.130673 P\n0.229774 0.661274 0.869327 P\n0.338726 0.770226 0.630673 P\n0.938711 0.821126 0.948641 O\n0.485058 0.342421 0.099095 O\n0.096103 0.903897 0.750000 O\n0.178874 0.061289 0.551359 O\n0.672458 0.669573 0.665722 O\n0.327543 0.330426 0.334278 O\n0.669574 0.672457 0.165722 O\n0.903898 0.096102 0.250000 O\n0.514943 0.657578 0.900905 O\n0.061290 0.178873 0.051359 O\n0.330427 0.327542 0.834278 O\n0.342422 0.485057 0.599095 O\n0.821127 0.938710 0.448641 O\n0.657579 0.514942 0.400906 O\n",
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"elements": [
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],
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"density_atomic": 0.09631547325804571,
"volume": 249.1811459587586,
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"formula_full": "Li4 Co2 P4 O14",
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{
"id": "jvasp-120282",
"created_at": "2022-09-04T14:38:46.875910Z",
"updated_at": "2022-09-04T14:38:46.875938Z",
"structure_string": "Li1 F3\n1.0\n3.767780 -0.140937 -0.585422\n-0.415587 -4.034806 -0.010920\n0.166697 -2.331131 -2.790600\nLi F\n1 3\ndirect\n0.621919 0.218262 0.208900 Li\n0.822246 0.868220 0.952029 F\n0.517363 0.576355 0.552765 F\n0.092033 0.165260 0.352956 F\n",
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"formula_full": "Li1 F3",
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{
"id": "jvasp-48274",
"created_at": "2022-09-04T14:35:41.095552Z",
"updated_at": "2022-09-04T14:35:41.095570Z",
"structure_string": "Li2 Mn2 C3 O9\n1.0\n4.858622 0.000000 0.000000\n0.000000 5.016718 3.407862\n0.000000 -5.016718 3.407862\nLi Mn C O\n2 2 3 9\ndirect\n0.000000 0.862601 0.862601 Li\n0.500000 0.589296 0.589296 Li\n0.500000 0.182849 0.750915 Mn\n0.500000 0.750915 0.182849 Mn\n0.000000 0.420049 0.827842 C\n0.000000 0.827842 0.420049 C\n0.500000 0.201150 0.201150 C\n0.000000 0.219057 0.853799 O\n0.000000 0.853799 0.219057 O\n0.231418 0.520815 0.813272 O\n0.231418 0.813272 0.520815 O\n0.500000 0.178976 0.402425 O\n0.500000 0.007862 0.007862 O\n0.500000 0.402425 0.178976 O\n0.768581 0.520815 0.813272 O\n0.768581 0.813272 0.520815 O\n",
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"formula_full": "Li2 Mn2 C3 O9",
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"spacegroup": 38
},
{
"id": "jvasp-49931",
"created_at": "2022-09-04T14:37:51.308184Z",
"updated_at": "2022-09-04T14:37:51.308220Z",
"structure_string": "Al4 O6\n1.0\n3.120596 -0.000329 0.000750\n-1.559545 5.524661 -0.648659\n-0.001929 -3.166742 6.394544\nAl O\n4 6\ndirect\n0.002993 0.024716 0.313677 Al\n0.680669 0.380106 0.153450 Al\n0.978268 0.975284 0.686323 Al\n0.300599 0.619894 0.846549 Al\n0.862644 0.744134 0.373378 O\n0.409027 0.836805 0.727591 O\n0.572234 0.163193 0.272407 O\n0.134241 0.287258 0.004633 O\n0.847025 0.712739 -0.004633 O\n0.118601 0.255866 0.626622 O\n",
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"density": 3.2611880678943557,
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"volume": 103.83374435706818,
"volume_molar": 6.2530142415612024,
"formula_full": "Al4 O6",
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"spacegroup": 12
},
{
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"created_at": "2022-09-04T14:35:57.472538Z",
"updated_at": "2022-09-04T14:35:57.472566Z",
"structure_string": "Li4 Mn1 P2 O8\n1.0\n4.990907 0.046093 0.000687\n-0.780532 5.089123 0.089488\n-0.472759 -0.544343 6.114007\nLi Mn P O\n4 1 2 8\ndirect\n0.152854 0.295475 0.513356 Li\n0.354398 0.617664 0.208847 Li\n0.645603 0.382335 0.791154 Li\n0.847147 0.704524 0.486645 Li\n0.000000 0.000000 0.000000 Mn\n0.367598 0.820720 0.728708 P\n0.632403 0.179280 0.271294 P\n0.226784 0.690954 0.921398 O\n0.238869 0.677271 0.509694 O\n0.323823 0.201236 0.246278 O\n0.306064 0.110018 0.742102 O\n0.693937 0.889982 0.257899 O\n0.676178 0.798763 0.753723 O\n0.761132 0.322728 0.490308 O\n0.773217 0.309046 0.078604 O\n",
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{
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"created_at": "2022-09-04T14:37:33.896089Z",
"updated_at": "2022-09-04T14:37:33.896108Z",
"structure_string": "Be1 Co2 Ge1\n1.0\n-0.000000 2.748702 2.748702\n2.748702 -0.000000 2.748702\n2.748702 2.748702 0.000000\nBe Co Ge\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.749999 0.749999 0.749999 Ge\n",
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}
]
}