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{
"id": "jvasp-102679",
"created_at": "2022-09-04T14:36:52.559914Z",
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"structure_string": "Sr1 Ce1 V1 O4\n1.0\n3.708763 0.058823 -5.751534\n-0.272392 3.699214 -5.751534\n-0.053788 -0.058823 6.843404\nSr Ce V O\n1 1 1 4\ndirect\n0.643760 0.643759 -0.000000 Sr\n0.356396 0.356396 -0.000000 Ce\n-0.002302 -0.002302 0.000000 V\n0.996610 0.496610 0.499999 O\n0.496610 0.996610 0.499999 O\n0.834749 0.834747 -0.000001 O\n0.174174 0.174173 -0.000000 O\n",
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{
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"structure_string": "Li3 Fe3 Si3 O12\n1.0\n2.690915 -4.660802 -0.000000\n2.690915 4.660802 0.000000\n-0.000000 -0.000000 12.099466\nLi Fe Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.666667 Li\n0.000001 0.500000 0.833333 Fe\n0.500001 0.500001 0.166667 Fe\n0.500000 0.000001 0.500000 Fe\n0.000001 0.500000 0.333333 Si\n0.500001 0.500001 0.666667 Si\n0.500000 0.000001 0.000000 Si\n0.815008 0.605752 0.258763 O\n0.790746 0.605752 0.741237 O\n0.394249 0.184993 0.074570 O\n0.394249 0.209256 0.592096 O\n0.605752 0.790746 0.592096 O\n0.209256 0.815008 0.925431 O\n0.209256 0.394249 0.741237 O\n0.184993 0.394249 0.258763 O\n0.790746 0.184994 0.925431 O\n0.184994 0.790746 0.407904 O\n0.605752 0.815008 0.074570 O\n0.815008 0.209256 0.407904 O\n",
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{
"id": "jvasp-47897",
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"updated_at": "2022-09-04T14:36:50.849899Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n2.620807 4.070036 0.000000\n-2.620807 4.070036 0.000000\n0.000000 0.000000 5.943863\nLi Co Si O\n2 2 2 8\ndirect\n0.332030 0.332030 0.750000 Li\n0.667971 0.667971 0.250000 Li\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.342170 0.342170 0.250000 Si\n0.657831 0.657831 0.750000 Si\n0.272721 0.771001 0.750000 O\n0.229000 0.727280 0.250000 O\n0.232300 0.232300 0.025157 O\n0.232300 0.232300 0.474842 O\n0.767701 0.767701 0.525157 O\n0.767701 0.767701 0.974842 O\n0.727280 0.229000 0.250000 O\n0.771001 0.272721 0.750000 O\n",
"nsites": 14,
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},
{
"id": "jvasp-56624",
"created_at": "2022-09-04T14:37:03.049973Z",
"updated_at": "2022-09-04T14:37:03.049987Z",
"structure_string": "Rb2 Li2 Mo2 O8\n1.0\n5.416465 0.012991 -1.448061\n-2.900973 4.794352 -0.183549\n0.073394 -0.032203 9.855301\nRb Li Mo O\n2 2 2 8\ndirect\n0.973819 0.463330 0.498301 Rb\n0.034970 0.024483 0.998301 Rb\n0.740839 0.364515 0.127924 Li\n0.763409 0.887086 0.627924 Li\n0.501526 0.251877 0.751931 Mo\n0.500055 0.750406 0.251931 Mo\n0.134029 0.492887 0.226483 O\n0.630947 0.215482 0.929396 O\n0.525437 0.071859 0.221887 O\n0.150028 0.196451 0.721886 O\n0.713914 0.798449 0.429396 O\n0.492656 0.004497 0.629079 O\n0.624582 0.636422 0.129079 O\n0.733596 0.592455 0.726484 O\n",
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{
"id": "jvasp-55326",
"created_at": "2022-09-04T14:36:52.834046Z",
"updated_at": "2022-09-04T14:36:52.834074Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n4.702323 -0.000000 0.000000\n-0.000000 5.899314 0.000000\n0.000000 0.000000 10.187166\nLi Co P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.481611 0.749999 0.777746 Co\n0.981611 0.250000 0.722255 Co\n0.018388 0.749999 0.277746 Co\n0.518388 0.250000 0.222255 Co\n0.422201 0.250000 0.905623 P\n0.922201 0.749999 0.594377 P\n0.077798 0.250000 0.405623 P\n0.577798 0.749999 0.094377 P\n0.247575 0.749999 0.594749 O\n0.207688 0.250000 0.545586 O\n0.792312 0.749999 0.454414 O\n0.714268 0.542060 0.167740 O\n0.214269 0.042060 0.332260 O\n0.214269 0.457939 0.332260 O\n0.785731 0.542060 0.667740 O\n0.285731 0.457939 0.832260 O\n0.252425 0.749999 0.094749 O\n0.292312 0.250000 0.045586 O\n0.747575 0.250000 0.905252 O\n0.285731 0.042060 0.832260 O\n0.785731 0.957939 0.667740 O\n0.752424 0.250000 0.405251 O\n0.714268 0.957939 0.167740 O\n0.707687 0.749999 0.954414 O\n",
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"formula_full": "Li4 Co4 P4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-47449",
"created_at": "2022-09-04T14:37:01.290268Z",
"updated_at": "2022-09-04T14:37:01.290299Z",
"structure_string": "Li2 Mn2 Si2 O8\n1.0\n-4.316848 3.932867 0.090502\n4.316848 0.090502 3.932867\n4.316848 3.932867 0.090502\nLi Mn Si O\n2 2 2 8\ndirect\n0.991897 -0.000001 0.008104 Li\n0.258103 0.500000 0.241897 Li\n0.625000 0.249999 0.625001 Mn\n0.125000 0.750000 0.625000 Mn\n0.625000 0.250000 0.125000 Si\n0.625000 0.750000 0.625001 Si\n0.838297 0.211121 0.372825 O\n0.838149 0.736387 0.425465 O\n0.411852 0.236386 0.351761 O\n0.838149 0.263613 0.898240 O\n0.411703 0.288878 0.877176 O\n0.833947 0.711121 0.877176 O\n0.416053 0.788879 0.372825 O\n0.411851 0.763613 0.824536 O\n",
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"volume": 133.47048412115507,
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"formula_full": "Li2 Mn2 Si2 O8",
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"spacegroup": 74
},
{
"id": "jvasp-52286",
"created_at": "2022-09-04T14:37:02.549694Z",
"updated_at": "2022-09-04T14:37:02.549720Z",
"structure_string": "Li4 Si4 Bi4 O16\n1.0\n4.887072 0.000000 0.000000\n-0.000000 6.824104 0.000000\n0.000000 0.000000 10.667337\nLi Si Bi O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.887898 0.750000 0.578164 Si\n0.612101 0.750000 0.078164 Si\n0.387898 0.250000 0.921836 Si\n0.112101 0.250000 0.421836 Si\n0.064182 0.750000 0.279960 Bi\n0.435817 0.750000 0.779961 Bi\n0.564182 0.250000 0.220040 Bi\n0.935817 0.250000 0.720040 Bi\n0.253015 0.062931 0.343583 O\n0.280587 0.750000 0.072585 O\n0.219413 0.750000 0.572585 O\n0.246985 0.062931 0.843583 O\n0.246985 0.437069 0.843583 O\n0.246111 0.250000 0.062411 O\n0.753889 0.750000 0.937589 O\n0.746985 0.937068 0.656417 O\n0.753014 0.562931 0.156417 O\n0.780586 0.250000 0.427415 O\n0.719413 0.250000 0.927415 O\n0.746985 0.562931 0.656417 O\n0.253015 0.437069 0.343583 O\n0.746110 0.750000 0.437589 O\n0.753014 0.937068 0.156417 O\n0.253889 0.250000 0.562411 O\n",
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{
"id": "jvasp-34833",
"created_at": "2022-09-04T14:37:02.406151Z",
"updated_at": "2022-09-04T14:37:02.406171Z",
"structure_string": "Li4 Cu4 P4 O16\n1.0\n4.717460 -0.000000 0.000000\n0.000000 6.045039 0.000000\n0.000000 0.000000 9.962495\nLi Cu P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.037013 0.750000 0.282176 Cu\n0.462987 0.750000 0.782175 Cu\n0.962987 0.250000 0.717824 Cu\n0.537013 0.250000 0.217824 Cu\n0.079230 0.250000 0.405363 P\n0.420770 0.250000 0.905363 P\n0.920770 0.750000 0.594636 P\n0.579230 0.750000 0.094637 P\n0.301934 0.250000 0.051747 O\n0.698066 0.750000 0.948253 O\n0.246936 0.750000 0.598678 O\n0.718682 0.954548 0.164403 O\n0.753065 0.250000 0.401321 O\n0.253064 0.750000 0.098679 O\n0.218682 0.045452 0.335597 O\n0.218682 0.454548 0.335597 O\n0.781318 0.545452 0.664403 O\n0.281318 0.045452 0.835597 O\n0.781318 0.954548 0.664403 O\n0.718682 0.545452 0.164403 O\n0.198066 0.250000 0.551747 O\n0.746936 0.250000 0.901321 O\n0.281318 0.454548 0.835597 O\n0.801934 0.750000 0.448253 O\n",
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{
"id": "jvasp-101175",
"created_at": "2022-09-04T14:37:01.135193Z",
"updated_at": "2022-09-04T14:37:01.135212Z",
"structure_string": "La1 Nd1 Cu1 O4\n1.0\n3.805125 -0.011443 -5.662493\n-0.362927 3.787795 -5.662493\n0.010431 0.011443 6.822221\nLa Nd Cu O\n1 1 1 4\ndirect\n0.350343 0.350343 0.000001 La\n0.647857 0.647858 0.000002 Nd\n0.002849 0.002849 0.000000 Cu\n0.747442 0.247442 0.500001 O\n0.247441 0.747443 0.500001 O\n0.002034 0.502034 0.500000 O\n0.502035 0.002034 0.500001 O\n",
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{
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"created_at": "2022-09-04T14:36:42.763630Z",
"updated_at": "2022-09-04T14:36:42.763648Z",
"structure_string": "Ga1 Ag1 Sn1 Se4\n1.0\n5.377381 0.080614 -4.359982\n-1.172184 5.248687 -4.359982\n-0.063610 -0.080614 6.922545\nGa Ag Sn Se\n1 1 1 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250001 0.750001 0.500001 Ag\n0.750000 0.250000 0.500000 Sn\n0.659528 0.650163 0.520769 Se\n0.129394 0.138760 0.479232 Se\n0.861241 0.340472 0.990635 Se\n0.349838 0.870606 0.009366 Se\n",
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{
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"created_at": "2022-09-04T14:37:01.458436Z",
"updated_at": "2022-09-04T14:37:01.458455Z",
"structure_string": "Li1 Co1 Cu1 O4\n1.0\n2.782849 0.000000 0.000000\n-0.000000 4.668552 2.427793\n-0.000000 0.328788 5.682959\nLi Co Cu O\n1 1 1 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Cu\n0.000000 0.764814 0.727867 O\n0.500000 0.228445 0.671779 O\n0.000000 0.235186 0.272133 O\n0.500000 0.771555 0.328221 O\n",
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{
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"created_at": "2022-09-04T14:36:43.140641Z",
"updated_at": "2022-09-04T14:36:43.140656Z",
"structure_string": "Ba1 La1 Fe1 O4\n1.0\n3.868557 0.225011 -6.375269\n-0.111687 3.873485 -6.375269\n-0.206256 -0.225011 7.454344\nBa La Fe O\n1 1 1 4\ndirect\n0.645196 0.645195 -0.000001 Ba\n0.357274 0.357273 -0.000001 La\n0.987571 0.987569 -0.000002 Fe\n0.838511 0.838510 -0.000001 O\n0.193309 0.193309 -0.000000 O\n0.489068 0.989067 0.499998 O\n0.989069 0.489068 0.499999 O\n",
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}
]
}