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{
"id": "jvasp-71467",
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"structure_string": "Be1 P1 Se2\n1.0\n3.069430 0.000000 0.000000\n0.000000 3.069430 0.000000\n0.000000 0.000000 8.269394\nBe P Se\n1 1 2\ndirect\n-0.000000 0.000000 0.671095 Be\n0.500000 0.500000 0.582447 P\n-0.000000 0.000000 0.931960 Se\n0.500000 0.500000 0.314497 Se\n",
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{
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{
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],
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"volume": 944.9629873554688,
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{
"id": "jvasp-74395",
"created_at": "2022-09-04T14:35:47.713785Z",
"updated_at": "2022-09-04T14:35:47.713817Z",
"structure_string": "Na1 Be1 Bi2\n1.0\n-2.434037 2.434037 4.178391\n2.434037 -2.434037 4.178391\n2.434037 2.434037 -4.178391\nNa Be Bi\n1 1 2\ndirect\n0.250000 0.750001 0.500001 Na\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 Bi\n",
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{
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"created_at": "2022-09-04T14:35:47.707404Z",
"updated_at": "2022-09-04T14:35:47.707430Z",
"structure_string": "La2 Co2 O6\n1.0\n4.702303 -0.018280 2.620181\n1.531080 4.446098 2.620181\n-0.025734 -0.018280 5.382968\nLa Co O\n2 2 6\ndirect\n0.750001 0.750001 0.750002 La\n0.249999 0.249999 0.249998 La\n0.500001 0.500000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.250007 0.805633 0.694361 O\n0.805633 0.694361 0.250007 O\n0.694362 0.250007 0.805633 O\n0.749993 0.194367 0.305639 O\n0.305638 0.749993 0.194368 O\n0.194367 0.305639 0.749993 O\n",
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{
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"created_at": "2022-09-04T14:35:47.705733Z",
"updated_at": "2022-09-04T14:35:47.705748Z",
"structure_string": "Be2 Mo1 Pt1\n1.0\n2.766426 0.000000 0.000000\n0.000000 2.766426 0.000000\n-0.000000 -0.000000 6.181644\nBe Mo Pt\n2 1 1\ndirect\n0.000000 0.000000 0.726050 Be\n0.000000 0.000000 0.273950 Be\n0.500001 0.500001 0.000000 Mo\n0.500001 0.500001 0.500000 Pt\n",
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},
{
"id": "jvasp-92250",
"created_at": "2022-09-04T14:35:47.704508Z",
"updated_at": "2022-09-04T14:35:47.704538Z",
"structure_string": "Li3 Sb1 S4\n1.0\n0.000000 5.626021 -0.000000\n5.626021 -0.000000 -0.000000\n2.813010 2.813010 -5.452175\nLi Sb S\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.629506 0.116103 0.254392 S\n0.116103 0.629506 0.254392 S\n0.370494 0.370494 0.745609 S\n0.883896 0.883896 0.745609 S\n",
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{
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"created_at": "2022-09-04T14:35:47.700086Z",
"updated_at": "2022-09-04T14:35:47.700107Z",
"structure_string": "Mg1 Mn1 Rh2\n1.0\n0.000001 3.057642 3.057637\n3.057639 0.000003 3.057636\n3.057640 3.057641 0.000002\nMg Mn Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750001 0.749999 Mn\n0.000001 0.000000 -0.000000 Rh\n0.500000 0.500003 0.499999 Rh\n",
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{
"id": "jvasp-98412",
"created_at": "2022-09-04T14:35:47.700078Z",
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"structure_string": "Rb4 Au4 C8 S8 N8\n1.0\n6.133351 -0.000000 1.132315\n2.992248 6.348219 0.969304\n-0.005404 0.124122 17.206524\nRb Au C S N\n4 4 8 8 8\ndirect\n0.190737 0.702650 0.938953 Rb\n0.832340 0.797350 0.561046 Rb\n0.167660 0.202650 0.438954 Rb\n0.809264 0.297350 0.061046 Rb\n0.665198 0.250000 0.750000 Au\n0.334802 0.750000 0.250000 Au\n0.163276 0.250000 0.750000 Au\n0.836725 0.750000 0.250000 Au\n0.712588 0.109381 0.356195 C\n0.287413 0.890619 0.643804 C\n0.408463 0.133283 0.913900 C\n0.455646 0.366716 0.586100 C\n0.178164 0.390619 0.143805 C\n0.821837 0.609381 0.856195 C\n0.591538 0.866717 0.086100 C\n0.544355 0.633284 0.413900 C\n0.991060 0.609875 0.769708 S\n0.659786 0.167304 0.887124 S\n0.629357 0.109875 0.269708 S\n0.370644 0.890125 0.730291 S\n0.340214 0.832696 0.112876 S\n0.008941 0.390125 0.230291 S\n0.714215 0.332695 0.612876 S\n0.285786 0.667305 0.387124 S\n0.709480 0.614720 0.919366 N\n0.770097 0.888355 0.064622 N\n0.290521 0.385280 0.080634 N\n0.723073 0.611645 0.435378 N\n0.756435 0.114720 0.419366 N\n0.243566 0.885280 0.580634 N\n0.276927 0.388354 0.564622 N\n0.229904 0.111645 0.935378 N\n",
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"structure_string": "Li1 Ta1 F6\n1.0\n-2.554982 -4.425360 -0.000000\n2.554982 -4.425360 -0.000000\n-0.000000 -2.950239 4.592013\nLi Ta F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.878307 0.633827 0.242921 F\n0.633827 0.244946 0.242921 F\n0.244946 0.878307 0.242921 F\n0.121693 0.366173 0.757079 F\n0.366173 0.755055 0.757079 F\n0.755054 0.121694 0.757079 F\n",
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{
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"structure_string": "Mn4 I8 O24\n1.0\n4.896125 0.000000 0.000000\n0.000000 9.690136 -5.612968\n0.000000 -0.032106 11.178680\nMn I O\n4 8 24\ndirect\n0.310518 0.509661 0.755405 Mn\n0.810519 0.490339 0.244595 Mn\n0.810454 0.990334 0.244567 Mn\n0.310453 0.009666 0.755432 Mn\n0.245569 0.667879 0.099359 I\n0.245613 0.167879 0.099378 I\n0.255407 0.664367 0.568529 I\n0.255346 0.164354 0.568547 I\n0.745570 0.332121 0.900640 I\n0.755346 0.835646 0.431453 I\n0.755407 0.335633 0.431471 I\n0.745614 0.832121 0.900622 I\n0.093657 0.643904 0.935808 O\n0.033207 0.318139 0.224456 O\n0.049813 0.028995 0.107245 O\n0.071593 0.049430 0.617756 O\n0.049801 0.528979 0.107207 O\n0.081728 0.827594 0.697702 O\n0.033846 0.632390 0.419638 O\n0.549801 0.471021 0.892793 O\n0.581733 0.672394 0.302297 O\n0.533773 0.867648 0.580349 O\n0.093630 0.143903 0.935840 O\n0.533089 0.181887 0.775585 O\n0.533207 0.681861 0.775543 O\n0.571594 0.950570 0.382244 O\n0.071727 0.549396 0.617702 O\n0.533846 0.367610 0.580362 O\n0.081732 0.327606 0.697702 O\n0.549814 0.971005 0.892755 O\n0.593657 0.356096 0.064192 O\n0.571728 0.450604 0.382298 O\n0.033773 0.132352 0.419651 O\n0.593631 0.856097 0.064160 O\n0.581729 0.172406 0.302298 O\n0.033089 0.818113 0.224415 O\n",
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"formula_full": "Mn4 I8 O24",
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"created_at": "2022-09-04T14:35:47.682693Z",
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"structure_string": "Nd2 Si2 Pt2\n1.0\n4.224538 0.000000 0.000000\n0.000000 4.224538 0.000000\n-2.112268 -2.112268 7.255432\nNd Si Pt\n2 2 2\ndirect\n0.249161 0.749161 0.498322 Nd\n0.999161 0.999161 0.998322 Nd\n0.668466 0.168466 0.336931 Si\n0.418465 0.418465 0.836931 Si\n0.836373 0.336373 0.672746 Pt\n0.586373 0.586373 0.172746 Pt\n",
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]
}