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{
"id": "jvasp-37008",
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{
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"structure_string": "Er1 Rh1\n1.0\n3.380664 0.000000 0.000000\n0.000000 3.380664 0.000000\n-0.000000 0.000000 3.380664\nEr Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.499999 0.499999 0.499999 Rh\n",
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{
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"structure_string": "Pb4 F12\n1.0\n5.369683 0.000000 0.000000\n0.000000 5.369683 -0.000000\n0.000000 0.000000 9.010591\nPb F\n4 12\ndirect\n0.500000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.750000 Pb\n0.000000 0.000000 0.250000 Pb\n0.203413 0.204251 0.592177 F\n0.796586 0.795748 0.592177 F\n0.204251 0.796586 0.407823 F\n0.795748 0.203413 0.407823 F\n0.282609 0.282609 0.250000 F\n0.282609 0.717390 0.750000 F\n0.717390 0.282609 0.750000 F\n0.717390 0.717390 0.250000 F\n0.796586 0.204251 0.092177 F\n0.204251 0.203413 0.907823 F\n0.795748 0.796586 0.907823 F\n0.203413 0.795748 0.092177 F\n",
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{
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"created_at": "2022-09-04T14:38:10.824710Z",
"updated_at": "2022-09-04T14:38:10.824734Z",
"structure_string": "Ce2 Pt2\n1.0\n3.622780 0.000000 -1.297453\n0.000000 4.402872 -0.000000\n0.057745 -0.000000 5.867771\nCe Pt\n2 2\ndirect\n0.863765 0.250000 0.727533 Ce\n0.136233 0.750000 0.272467 Ce\n0.596599 0.250000 0.193199 Pt\n0.403399 0.750000 0.806800 Pt\n",
"nsites": 4,
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"volume": 93.9245524524462,
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{
"id": "jvasp-20574",
"created_at": "2022-09-04T14:38:10.861861Z",
"updated_at": "2022-09-04T14:38:10.861872Z",
"structure_string": "Pu1 S1\n1.0\n3.427725 -0.000000 1.978998\n1.142575 3.231690 1.978998\n0.000000 0.000000 3.957995\nPu S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500001 0.500000 0.500000 S\n",
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{
"id": "jvasp-37293",
"created_at": "2022-09-04T14:38:10.918348Z",
"updated_at": "2022-09-04T14:38:10.918369Z",
"structure_string": "Sm1 Y3\n1.0\n5.030302 0.000000 0.000000\n0.000000 5.030302 0.000000\n0.000000 0.000000 5.030302\nSm Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n",
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{
"id": "jvasp-29993",
"created_at": "2022-09-04T14:38:10.989248Z",
"updated_at": "2022-09-04T14:38:10.989283Z",
"structure_string": "Cd4 I8\n1.0\n4.285697 0.000000 -0.000000\n-2.142848 3.711523 0.000000\n-0.000000 0.000000 27.490042\nCd I\n4 8\ndirect\n0.000000 -0.000000 0.562491 Cd\n0.666667 0.333333 0.312448 Cd\n0.666667 0.333333 0.812473 Cd\n0.666667 0.333333 0.062532 Cd\n0.333333 0.666667 0.375556 I\n0.333333 0.666667 0.125613 I\n0.333333 0.666667 0.875556 I\n-0.000000 0.000000 -0.000530 I\n0.666667 0.333333 0.499446 I\n0.000000 -0.000000 0.749419 I\n0.333333 0.666667 0.625591 I\n0.000000 -0.000000 0.249405 I\n",
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{
"id": "jvasp-14127",
"created_at": "2022-09-04T14:38:11.024017Z",
"updated_at": "2022-09-04T14:38:11.024036Z",
"structure_string": "S8 Cl16\n1.0\n3.999935 0.000000 0.000000\n0.000000 9.090188 0.000000\n0.000000 0.000000 16.884987\nS Cl\n8 16\ndirect\n0.239044 0.301735 0.308156 S\n0.739045 0.198265 0.691844 S\n0.760957 0.801736 0.191844 S\n0.260956 0.698265 0.808156 S\n0.629617 0.289174 0.144136 S\n0.129616 0.210826 0.855864 S\n0.370385 0.789174 0.355864 S\n0.870385 0.710826 0.644136 S\n0.926872 0.368229 0.926376 Cl\n0.426871 0.131771 0.073624 Cl\n0.025715 0.521674 0.590496 Cl\n0.525715 0.978326 0.409504 Cl\n0.974287 0.021674 0.909504 Cl\n0.474286 0.478326 0.090496 Cl\n0.440289 0.501777 0.765611 Cl\n0.470051 0.706156 0.920447 Cl\n0.559713 0.001777 0.734389 Cl\n0.059712 0.498223 0.265611 Cl\n0.573130 0.631771 0.426376 Cl\n-0.029950 0.793844 0.079554 Cl\n0.529950 0.206156 0.579554 Cl\n0.029950 0.293844 0.420447 Cl\n0.940289 0.998223 0.234389 Cl\n0.073129 0.868229 0.573624 Cl\n",
"nsites": 24,
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{
"id": "jvasp-4276",
"created_at": "2022-09-04T14:38:05.635168Z",
"updated_at": "2022-09-04T14:38:05.635197Z",
"structure_string": "V2 Cl6\n1.0\n5.361505 -0.010774 4.026632\n2.005666 4.972238 4.026632\n-0.015997 -0.010773 6.705165\nV Cl\n2 6\ndirect\n0.666642 0.666643 0.666641 V\n0.333358 0.333359 0.333358 V\n0.570876 0.270805 0.921337 Cl\n0.270805 0.921338 0.570875 Cl\n0.078662 0.429125 0.729196 Cl\n0.729196 0.078663 0.429123 Cl\n0.429125 0.729196 0.078661 Cl\n0.921338 0.570877 0.270803 Cl\n",
"nsites": 8,
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"density_atomic": 0.044602465669864325,
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"formula_full": "V2 Cl6",
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{
"id": "jvasp-117843",
"created_at": "2022-09-04T14:38:29.093295Z",
"updated_at": "2022-09-04T14:38:29.093321Z",
"structure_string": "P2 Br1\n1.0\n3.288155 0.000000 1.012189\n0.000000 2.662541 0.000000\n-0.572849 0.000000 7.134228\nP Br\n2 1\ndirect\n-0.497793 0.000000 -0.592960 P\n0.097725 0.000000 0.192958 P\n0.800068 0.000000 -0.199998 Br\n",
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{
"id": "jvasp-20655",
"created_at": "2022-09-04T14:38:10.863547Z",
"updated_at": "2022-09-04T14:38:10.863574Z",
"structure_string": "Pu1 Se1\n1.0\n3.586514 0.000000 2.070675\n1.195504 3.381398 2.070675\n0.000000 0.000000 4.141350\nPu Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.499999 0.500000 0.499999 Se\n",
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{
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"created_at": "2022-09-04T14:38:10.869424Z",
"updated_at": "2022-09-04T14:38:10.869452Z",
"structure_string": "Mg6 O6\n1.0\n3.276951 -0.000066 0.000037\n-1.638533 2.837889 -0.000037\n-0.000166 0.000095 15.601688\nMg O\n6 6\ndirect\n0.333261 0.666739 0.352039 Mg\n0.333307 0.666694 0.020746 Mg\n0.999931 0.000067 0.186394 Mg\n0.999983 0.000013 0.518265 Mg\n0.000066 0.999932 0.852624 Mg\n0.666745 0.333250 0.686385 Mg\n0.333260 0.666740 0.148157 O\n0.333306 0.666692 0.479484 O\n0.999981 0.000013 0.981304 O\n0.999932 0.000065 0.313800 O\n0.000070 0.999927 0.646938 O\n0.666742 0.333253 0.813835 O\n",
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}