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{
"id": "jvasp-86289",
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"updated_at": "2022-09-04T14:35:59.442818Z",
"structure_string": "Au4 Br4\n1.0\n6.024684 0.117612 -3.121107\n-3.826349 5.578240 -0.542446\n0.080675 -0.117612 6.784660\nAu Br\n4 4\ndirect\n-0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.499999 0.500000 -0.000001 Au\n0.500000 -0.000000 -0.000000 Au\n0.749999 0.566402 0.816401 Br\n0.249999 0.816402 0.566401 Br\n0.250000 0.433598 0.183597 Br\n0.749999 0.183598 0.433597 Br\n",
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{
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"structure_string": "Si4 Pb4 N8\n1.0\n5.638939 -0.000000 0.000000\n0.000000 7.553679 0.000000\n-0.000000 -0.000000 5.150066\nSi Pb N\n4 4 8\ndirect\n0.513512 0.373854 0.002844 Si\n0.486488 0.626146 0.502845 Si\n0.986488 0.873854 0.502845 Si\n0.013512 0.126146 0.002844 Si\n0.568971 0.873797 0.019601 Pb\n0.431029 0.126204 0.519602 Pb\n0.931029 0.373797 0.519602 Pb\n0.068971 0.626204 0.019601 Pb\n0.505970 0.421066 0.336385 N\n0.494030 0.578935 0.836386 N\n0.994030 0.921066 0.836386 N\n0.005970 0.078934 0.336385 N\n0.732353 0.756570 0.411169 N\n0.267647 0.243430 0.911170 N\n0.767647 0.256570 0.911170 N\n0.232353 0.743430 0.411169 N\n",
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{
"id": "jvasp-39032",
"created_at": "2022-09-04T14:38:04.198091Z",
"updated_at": "2022-09-04T14:38:04.198111Z",
"structure_string": "Sm3 Dy1\n1.0\n5.037006 0.000000 0.000000\n-0.000000 5.037006 0.000000\n-0.000000 -0.000000 5.037006\nSm Dy\n3 1\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.500000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Dy\n",
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},
{
"id": "jvasp-13769",
"created_at": "2022-09-04T14:37:00.991127Z",
"updated_at": "2022-09-04T14:37:00.991161Z",
"structure_string": "Yb4 Mn4 Si4\n1.0\n4.253048 -0.000000 0.000000\n-0.000000 6.964789 0.000000\n0.000000 0.000000 7.201749\nYb Mn Si\n4 4 4\ndirect\n0.750000 0.175934 0.503739 Yb\n0.250000 0.824066 0.496261 Yb\n0.750000 0.324066 0.003739 Yb\n0.250000 0.675934 -0.003739 Yb\n0.250000 0.063222 0.133332 Mn\n0.750000 0.936778 0.866668 Mn\n0.250000 0.436778 0.633332 Mn\n0.750000 0.563222 0.366668 Mn\n0.750000 0.887787 0.197175 Si\n0.250000 0.112213 0.802825 Si\n0.750000 0.612213 0.697175 Si\n0.250000 0.387787 0.302825 Si\n",
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"elements": [
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"volume": 213.3271980202685,
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"formula_full": "Yb4 Mn4 Si4",
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{
"id": "jvasp-104630",
"created_at": "2022-09-04T14:36:48.940639Z",
"updated_at": "2022-09-04T14:36:48.940671Z",
"structure_string": "Zr1 Sc1 Tc2\n1.0\n3.990585 -0.000000 2.303965\n1.330195 3.762360 2.303965\n-0.000000 -0.000000 4.607931\nZr Sc Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500001 0.500000 0.500000 Sc\n0.250001 0.250000 0.250000 Tc\n0.750002 0.750000 0.750000 Tc\n",
"nsites": 4,
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{
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"created_at": "2022-09-04T14:38:08.347712Z",
"updated_at": "2022-09-04T14:38:08.347740Z",
"structure_string": "Cr3 As1\n1.0\n3.535002 0.000000 2.040934\n1.178334 3.332832 2.040934\n-0.000000 -0.000000 4.081869\nCr As\n3 1\ndirect\n0.250000 0.250000 0.250000 Cr\n0.749999 0.750000 0.749999 Cr\n0.499999 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 As\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:37:27.807202Z",
"updated_at": "2022-09-04T14:37:27.807228Z",
"structure_string": "Ca4 Ir4 O12\n1.0\n5.327900 0.000000 0.000000\n0.000000 5.688492 0.000000\n0.000000 0.000000 7.704272\nCa Ir O\n4 4 12\ndirect\n0.520772 0.066458 0.250000 Ca\n0.479228 0.933542 0.750000 Ca\n0.979228 0.566458 0.250000 Ca\n0.020772 0.433542 0.750000 Ca\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.188039 0.695694 0.945594 O\n0.688039 0.804306 0.445594 O\n0.111269 0.956122 0.250000 O\n0.188039 0.695694 0.554406 O\n0.688039 0.804306 0.054406 O\n0.611269 0.543878 0.750000 O\n0.811961 0.304306 0.445594 O\n0.388731 0.456122 0.250000 O\n0.311961 0.195694 0.554406 O\n0.311961 0.195694 0.945594 O\n0.811961 0.304306 0.054406 O\n0.888731 0.043878 0.750000 O\n",
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"formula_full": "Ca4 Ir4 O12",
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"spacegroup": 62
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{
"id": "jvasp-74531",
"created_at": "2022-09-04T14:35:59.082665Z",
"updated_at": "2022-09-04T14:35:59.082693Z",
"structure_string": "La1 Be2 Pt1\n1.0\n-2.348953 2.348953 3.321699\n2.348953 -2.348953 3.321699\n2.348953 2.348953 -3.321699\nLa Be Pt\n1 2 1\ndirect\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Pt\n",
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},
{
"id": "jvasp-70327",
"created_at": "2022-09-04T14:36:10.869385Z",
"updated_at": "2022-09-04T14:36:10.869415Z",
"structure_string": "Be2 Tl1 Cu1\n1.0\n2.919350 -0.000000 0.000000\n-0.000000 2.919350 -0.000000\n0.000000 -0.000000 6.987013\nBe Tl Cu\n2 1 1\ndirect\n-0.000000 0.000000 0.842056 Be\n-0.000000 0.000000 0.157943 Be\n0.500000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Cu\n",
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},
{
"id": "jvasp-68880",
"created_at": "2022-09-04T14:35:42.716077Z",
"updated_at": "2022-09-04T14:35:42.716093Z",
"structure_string": "Be2 Co1 Bi1\n1.0\n3.078985 0.000000 0.000000\n0.000000 3.078985 0.000000\n-0.000000 0.000000 6.280575\nBe Co Bi\n2 1 1\ndirect\n0.000000 0.000000 0.976886 Be\n0.500001 0.500001 0.164113 Be\n0.500001 0.500001 0.844666 Co\n0.000000 0.000000 0.514333 Bi\n",
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{
"id": "jvasp-98485",
"created_at": "2022-09-04T14:36:05.237111Z",
"updated_at": "2022-09-04T14:36:05.237138Z",
"structure_string": "Ho4 Mn4 O12\n1.0\n5.245049 -0.000000 0.000000\n-0.000000 5.640878 0.000000\n0.000000 0.000000 7.540811\nHo Mn O\n4 4 12\ndirect\n0.980137 0.075561 0.250000 Ho\n0.519865 0.575561 0.250000 Ho\n0.019864 0.924440 0.750000 Ho\n0.480135 0.424441 0.750000 Ho\n0.499999 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.499999 0.000000 0.500000 Mn\n0.388658 0.963533 0.250000 O\n0.888659 0.536468 0.750000 O\n0.694554 0.309330 0.444072 O\n0.694554 0.309330 0.055927 O\n0.194554 0.190670 0.944073 O\n0.805446 0.809329 0.444072 O\n0.305447 0.690672 0.555927 O\n0.305447 0.690672 0.944073 O\n0.805446 0.809329 0.055927 O\n0.194554 0.190670 0.555927 O\n0.111341 0.463534 0.250000 O\n0.611340 0.036468 0.750000 O\n",
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{
"id": "jvasp-118721",
"created_at": "2022-09-04T14:38:53.540565Z",
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"structure_string": "Mg1 Ta1 O1\n1.0\n4.410099 0.000000 -0.000000\n-2.205049 3.819258 0.000000\n-0.000000 0.000000 2.735216\nMg Ta O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333334 0.000000 Ta\n0.333334 0.666668 0.000000 O\n",
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}