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{
"id": "jvasp-43068",
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"elements": [
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{
"id": "jvasp-30281",
"created_at": "2022-09-04T14:36:52.980221Z",
"updated_at": "2022-09-04T14:36:52.980253Z",
"structure_string": "Cr1 Co2 O6\n1.0\n5.461804 -2.712366 0.028455\n-0.000463 -1.501575 2.454554\n-3.154582 -3.909521 -2.392511\nCr Co O\n1 2 6\ndirect\n0.334484 0.442463 0.335172 Cr\n0.005101 -0.021889 0.998752 Co\n0.663856 0.648720 0.671564 Co\n0.030123 0.461009 0.229499 O\n0.331668 0.836922 0.569800 O\n0.686723 0.136680 0.894171 O\n0.337289 0.834037 0.100521 O\n0.638847 0.156617 0.440807 O\n0.982236 0.488910 0.776150 O\n",
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"elements": [
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"density": 4.7518705263644145,
"density_atomic": 0.09687390883809047,
"volume": 92.90427224364495,
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"formula_full": "Cr1 Co2 O6",
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{
"id": "jvasp-85959",
"created_at": "2022-09-04T14:35:47.812873Z",
"updated_at": "2022-09-04T14:35:47.812895Z",
"structure_string": "Cr3 Ag1 O8\n1.0\n5.034789 -0.058939 0.220922\n2.046309 4.600560 0.220915\n-0.078076 -0.050082 6.858422\nCr Ag O\n3 1 8\ndirect\n-0.000002 0.000003 0.500000 Cr\n0.646485 0.646482 0.277571 Cr\n0.353517 0.353514 0.722428 Cr\n0.000000 0.000000 -0.000000 Ag\n0.786773 0.277753 0.296947 O\n0.277752 0.786772 0.296948 O\n0.260291 0.260290 0.935010 O\n0.222863 0.222861 0.546453 O\n0.777136 0.777140 0.453546 O\n0.739710 0.739710 0.064989 O\n0.213226 0.722250 0.703051 O\n0.722248 0.213230 0.703051 O\n",
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{
"id": "jvasp-86558",
"created_at": "2022-09-04T14:36:20.558580Z",
"updated_at": "2022-09-04T14:36:20.558606Z",
"structure_string": "Cr3 Ag1 O8\n1.0\n5.034307 -0.059326 0.220118\n2.045757 4.600283 0.220112\n-0.078206 -0.050166 6.858014\nCr Ag O\n3 1 8\ndirect\n-0.000001 0.000002 0.499999 Cr\n0.646420 0.646415 0.277553 Cr\n0.353586 0.353580 0.722446 Cr\n0.000000 0.000000 0.000000 Ag\n0.786722 0.277676 0.296942 O\n0.277677 0.786719 0.296943 O\n0.260368 0.260365 0.935030 O\n0.222905 0.222901 0.546440 O\n0.777096 0.777096 0.453561 O\n0.739635 0.739633 0.064969 O\n0.213280 0.722321 0.703058 O\n0.722321 0.213281 0.703058 O\n",
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{
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"created_at": "2022-09-04T14:36:04.053338Z",
"updated_at": "2022-09-04T14:36:04.053370Z",
"structure_string": "Zr6 Sn2\n1.0\n5.159215 0.000000 0.000000\n0.000000 6.089579 0.000000\n0.000000 0.000000 5.718808\nZr Sn\n6 2\ndirect\n0.000000 0.250018 0.647227 Zr\n0.000000 0.500000 0.136290 Zr\n0.000000 0.749982 0.647227 Zr\n0.500000 0.000000 0.863710 Zr\n0.500000 0.249982 0.352773 Zr\n0.500000 0.750018 0.352773 Zr\n0.000000 0.000000 0.162398 Sn\n0.500000 0.500000 0.837603 Sn\n",
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"formula_full": "Zr6 Sn2",
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"spacegroup": 59
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{
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"created_at": "2022-09-04T14:36:03.232930Z",
"updated_at": "2022-09-04T14:36:03.232953Z",
"structure_string": "Zr1 Be1 V1\n1.0\n1.533853 -2.656713 0.000000\n1.533853 2.656713 0.000000\n0.000000 0.000000 5.861452\nZr Be V\n1 1 1\ndirect\n0.666666 0.333332 0.681198 Zr\n0.000000 0.000000 0.023371 Be\n0.333332 0.666666 0.295431 V\n",
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{
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"created_at": "2022-09-04T14:37:16.624602Z",
"updated_at": "2022-09-04T14:37:16.624626Z",
"structure_string": "Au1 C1\n1.0\n1.611947 -2.791974 0.000000\n1.611947 2.791974 -0.000000\n0.000000 -0.000000 2.945301\nAu C\n1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.333334 0.666668 0.500000 C\n",
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{
"id": "jvasp-68192",
"created_at": "2022-09-04T14:36:04.262164Z",
"updated_at": "2022-09-04T14:36:04.262181Z",
"structure_string": "La1 Be1 V2\n1.0\n-2.158241 2.158241 3.607566\n2.158241 -2.158241 3.607566\n2.158241 2.158241 -3.607566\nLa Be V\n1 1 2\ndirect\n0.750000 0.250000 0.500000 La\n0.500001 0.500001 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.750000 0.500000 V\n",
"nsites": 4,
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{
"id": "jvasp-48199",
"created_at": "2022-09-04T14:37:56.275866Z",
"updated_at": "2022-09-04T14:37:56.275891Z",
"structure_string": "Li2 Ni2 C4 O12\n1.0\n0.000000 4.809918 -0.287439\n7.671212 0.000000 0.000000\n0.000000 -2.071826 -5.888796\nLi Ni C O\n2 2 4 12\ndirect\n0.649229 0.047005 0.641999 Li\n0.350771 0.547005 0.358002 Li\n0.001649 0.000305 0.244152 Ni\n-0.001649 0.500305 0.755849 Ni\n0.134552 0.260048 0.117003 C\n0.143774 0.244244 0.611228 C\n0.865448 0.760048 0.882998 C\n0.856226 0.744244 0.388772 C\n0.903953 0.255303 0.669345 O\n0.096047 0.755303 0.330656 O\n0.243032 0.102697 0.557662 O\n0.274355 0.394291 0.618996 O\n0.720349 0.616617 0.874306 O\n0.221447 0.409145 0.073518 O\n0.892630 0.235123 0.168715 O\n0.107370 0.735123 0.831286 O\n0.756968 0.602697 0.442339 O\n0.279651 0.116617 0.125694 O\n0.778553 0.909145 0.926483 O\n0.725645 0.894291 0.381005 O\n",
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{
"id": "jvasp-87897",
"created_at": "2022-09-04T14:36:02.835480Z",
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"structure_string": "Ca4 Ta8 O24\n1.0\n5.385152 0.000000 0.000000\n0.000000 7.549823 0.000000\n0.000000 0.000000 11.171329\nCa Ta O\n4 8 24\ndirect\n0.541578 0.250000 0.042006 Ca\n0.458421 0.750000 0.957994 Ca\n0.958421 0.250000 0.542006 Ca\n0.041579 0.750000 0.457994 Ca\n0.538945 0.494264 0.358841 Ta\n0.461055 0.505736 0.641159 Ta\n0.461055 0.994264 0.641159 Ta\n0.961054 0.005736 0.858841 Ta\n0.038945 0.994264 0.141159 Ta\n0.538945 0.005736 0.358841 Ta\n0.038945 0.505736 0.141159 Ta\n0.961054 0.494264 0.858841 Ta\n0.770355 0.541954 0.024422 O\n0.872582 0.562280 0.288229 O\n0.372582 0.437720 0.211771 O\n0.127418 0.062280 0.711771 O\n0.627418 0.937720 0.788229 O\n0.270355 0.458045 0.475578 O\n0.667061 0.250000 0.378365 O\n0.729645 0.541954 0.524422 O\n0.167061 0.750000 0.121635 O\n0.332938 0.750000 0.621635 O\n0.832938 0.250000 0.878365 O\n0.446821 0.750000 0.354825 O\n0.946821 0.250000 0.145175 O\n0.553179 0.250000 0.645175 O\n0.229645 0.041954 0.975578 O\n0.053179 0.750000 0.854825 O\n0.627418 0.562280 0.788229 O\n0.872582 0.937720 0.288229 O\n0.372582 0.062280 0.211771 O\n0.770355 0.958045 0.024422 O\n0.270355 0.041954 0.475578 O\n0.229645 0.458045 0.975578 O\n0.127418 0.437720 0.711771 O\n0.729645 0.958045 0.524422 O\n",
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{
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"structure_string": "Tc1 Ir1\n1.0\n2.757451 -0.000000 -0.000000\n-1.378725 2.388024 -0.000000\n0.000000 0.000000 4.387477\nTc Ir\n1 1\ndirect\n0.666666 0.333332 0.000000 Tc\n0.000000 0.000000 0.500000 Ir\n",
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]
}