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{
"id": "jvasp-92452",
"created_at": "2022-09-04T14:36:15.909365Z",
"updated_at": "2022-09-04T14:36:15.909402Z",
"structure_string": "Co2 O4\n1.0\n2.823444 -0.000000 0.000000\n1.411722 2.445174 -0.000000\n-0.000000 0.000000 8.429080\nCo O\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.666666 0.666666 0.110166 O\n0.666666 0.666666 0.610176 O\n0.333333 0.333332 0.389824 O\n0.333333 0.333332 0.889834 O\n",
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{
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"structure_string": "H4 C2 O6\n1.0\n2.864599 0.000000 3.066093\n2.864599 0.000000 -3.066093\n0.000000 6.625351 0.000000\nH C O\n4 2 6\ndirect\n0.431756 0.568244 0.207704 H\n0.431756 0.568244 0.792296 H\n0.068245 0.931756 0.707704 H\n0.068245 0.931756 0.292296 H\n0.407030 0.592971 0.500000 C\n0.092971 0.907029 0.000000 C\n0.201127 0.798874 0.500000 O\n0.298874 0.701126 0.000000 O\n0.524889 0.475112 0.335437 O\n0.524889 0.475112 0.664563 O\n0.975111 0.024889 0.835437 O\n0.975111 0.024889 0.164563 O\n",
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{
"id": "jvasp-101190",
"created_at": "2022-09-04T14:36:44.084519Z",
"updated_at": "2022-09-04T14:36:44.084533Z",
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{
"id": "jvasp-106198",
"created_at": "2022-09-04T14:38:17.058918Z",
"updated_at": "2022-09-04T14:38:17.058942Z",
"structure_string": "Na1 Co1 O2\n1.0\n2.891903 -0.000000 0.000000\n-1.445951 2.504463 0.000000\n-0.000000 -0.000000 5.355196\nNa Co O\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Co\n0.333333 0.666666 0.187830 O\n0.666666 0.333333 0.812171 O\n",
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"volume": 38.78588561999796,
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"formula_full": "Na1 Co1 O2",
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"spacegroup": 164
},
{
"id": "jvasp-9145",
"created_at": "2022-09-04T14:38:18.754143Z",
"updated_at": "2022-09-04T14:38:18.754174Z",
"structure_string": "Al4 Zn2 O8\n1.0\n4.995830 0.000000 2.884344\n1.665276 4.710114 2.884344\n-0.000000 0.000000 5.768687\nAl Zn O\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000001 Al\n0.500000 0.500000 0.500000 Al\n0.875001 0.874999 0.874999 Zn\n0.125000 0.125000 0.125000 Zn\n0.735634 0.735632 0.735632 O\n0.264367 0.264367 0.706898 O\n0.264368 0.706897 0.264366 O\n0.706898 0.264367 0.264367 O\n0.735633 0.293102 0.735633 O\n0.293103 0.735632 0.735633 O\n0.264367 0.264367 0.264367 O\n0.735634 0.735632 0.293101 O\n",
"nsites": 14,
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"volume": 135.74256320851066,
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{
"id": "jvasp-93417",
"created_at": "2022-09-04T14:36:32.159686Z",
"updated_at": "2022-09-04T14:36:32.159717Z",
"structure_string": "Hf1 Nb1 B4\n1.0\n3.129352 -0.000000 0.000000\n-3.129352 5.403957 -0.000102\n-1.564676 2.701914 3.440045\nHf Nb B\n1 1 4\ndirect\n0.000001 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Nb\n0.333817 0.583432 0.500771 B\n0.666177 0.915804 0.500748 B\n0.666182 0.416569 0.499228 B\n0.333821 0.084196 0.499251 B\n",
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{
"id": "jvasp-50677",
"created_at": "2022-09-04T14:37:18.958909Z",
"updated_at": "2022-09-04T14:37:18.958928Z",
"structure_string": "Li4 Ti6 O12\n1.0\n7.791292 -1.776316 -3.673533\n1.949210 4.911603 -0.105585\n1.949210 -3.132808 3.784244\nLi Ti O\n4 6 12\ndirect\n0.007680 0.290363 0.717580 Li\n0.507679 0.967580 0.040363 Li\n0.325655 0.615747 0.042975 Li\n0.825655 0.292975 0.365748 Li\n0.166668 0.177978 0.155348 Ti\n0.995821 0.735953 0.267527 Ti\n0.337511 0.065805 0.597383 Ti\n0.495821 0.517526 0.485954 Ti\n0.666668 0.405347 0.927978 Ti\n0.837511 0.847381 0.815805 Ti\n0.838563 0.078881 0.599844 O\n0.494769 0.733484 0.254453 O\n0.338564 0.849842 0.828881 O\n0.666666 0.184705 0.148628 O\n0.494536 0.282087 0.736785 O\n0.994769 0.504452 0.483485 O\n0.338797 0.301242 0.346548 O\n0.166667 0.398627 0.934705 O\n0.994536 -0.013215 0.032088 O\n0.666667 0.643036 0.690297 O\n0.166667 0.940296 0.393037 O\n0.838797 0.596548 0.051243 O\n",
"nsites": 22,
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],
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"density_atomic": 0.10313756092176124,
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"formula_full": "Li4 Ti6 O12",
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"formula_anonymous": "A2B3C6",
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"spacegroup": 15
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{
"id": "jvasp-8027",
"created_at": "2022-09-04T14:37:10.137361Z",
"updated_at": "2022-09-04T14:37:10.137393Z",
"structure_string": "Ga1 N1\n1.0\n2.611547 -0.000000 1.507777\n0.870516 2.462190 1.507777\n0.000000 0.000000 3.015554\nGa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500002 0.500000 0.500000 N\n",
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"spacegroup": 225
},
{
"id": "jvasp-43202",
"created_at": "2022-09-04T14:37:09.369137Z",
"updated_at": "2022-09-04T14:37:09.369157Z",
"structure_string": "Li3 Mn1 P2 H1 O8\n1.0\n5.033736 0.081895 0.022702\n-2.045691 4.633044 -0.021189\n0.002356 -0.058423 6.191428\nLi Mn P H O\n3 1 2 1 8\ndirect\n0.619723 0.223749 0.755876 Li\n0.000001 0.000000 0.500000 Li\n0.380278 0.776250 0.244124 Li\n0.000000 0.000000 0.000000 Mn\n0.638823 0.361965 0.248278 P\n0.361178 0.638034 0.751722 P\n0.000000 0.500000 0.500000 H\n0.754498 0.253429 0.050944 O\n0.781210 0.295781 0.458227 O\n0.309365 0.193651 0.265933 O\n0.275647 0.309024 0.757979 O\n0.724355 0.690975 0.242021 O\n0.690636 0.806347 0.734067 O\n0.218791 0.704218 0.541773 O\n0.245503 0.746570 0.949056 O\n",
"nsites": 15,
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"elements": [
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"formula_full": "Li3 Mn1 P2 H1 O8",
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"formula_anonymous": "ABC2D3E8",
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{
"id": "jvasp-9500",
"created_at": "2022-09-04T14:37:07.673498Z",
"updated_at": "2022-09-04T14:37:07.673527Z",
"structure_string": "Mg2 Co2 Si2 O10\n1.0\n4.997891 -0.281086 0.146753\n-1.507835 5.174268 -0.047670\n-1.410011 -2.242407 6.058182\nMg Co Si O\n2 2 2 10\ndirect\n0.370271 0.215189 0.772055 Mg\n0.638228 0.774648 0.257045 Mg\n0.004248 0.494919 0.514554 Co\n0.004251 0.494923 0.014554 Co\n0.703536 0.819021 0.760867 Si\n0.304959 0.170819 0.268244 Si\n0.702634 0.632462 0.923986 O\n0.994928 0.851807 0.669019 O\n0.305866 0.357384 0.105122 O\n0.013570 0.138033 0.360088 O\n0.592786 0.289360 0.487845 O\n0.304416 0.865225 0.132074 O\n0.415708 0.700489 0.541266 O\n0.704086 0.124619 0.897036 O\n0.899975 0.555234 0.266335 O\n0.108524 0.434607 0.762773 O\n",
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"volume": 155.11325858526428,
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"formula_full": "Mg2 Co2 Si2 O10",
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{
"id": "jvasp-39312",
"created_at": "2022-09-04T14:37:50.931664Z",
"updated_at": "2022-09-04T14:37:50.931689Z",
"structure_string": "Fe12 B4\n1.0\n4.379969 -0.001923 -0.000574\n0.002433 5.352550 -0.000664\n0.000852 0.000804 6.616020\nFe B\n12 4\ndirect\n0.121533 0.019808 0.250001 Fe\n0.150559 0.322748 0.945491 Fe\n0.150562 0.322747 0.554509 Fe\n0.349437 0.822745 0.945492 Fe\n0.349438 0.822742 0.554509 Fe\n0.378468 0.519807 0.250002 Fe\n0.621533 0.480190 0.750000 Fe\n0.650558 0.177258 0.445494 Fe\n0.650557 0.177256 0.054508 Fe\n0.849441 0.677255 0.445494 Fe\n0.849444 0.677255 0.054508 Fe\n0.878464 0.980190 0.750001 Fe\n0.074628 0.616405 0.750001 B\n0.425371 0.116408 0.750000 B\n0.574632 0.883590 0.250002 B\n0.925369 0.383594 0.250001 B\n",
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{
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"updated_at": "2022-09-04T14:36:14.136258Z",
"structure_string": "Tb4 Mn4 B16\n1.0\n3.440373 0.000000 0.000000\n0.000000 5.913978 -0.000000\n0.000000 0.000000 11.434781\nTb Mn B\n4 4 16\ndirect\n0.000000 0.125394 0.849463 Tb\n0.000000 0.874607 0.150537 Tb\n0.000000 0.374606 0.349463 Tb\n0.000000 0.625394 0.650537 Tb\n0.000000 0.126805 0.583394 Mn\n0.000000 0.873195 0.416606 Mn\n0.000000 0.373195 0.083394 Mn\n0.000000 0.626805 0.916606 Mn\n0.500000 0.525062 0.190428 B\n0.500000 0.474938 0.809572 B\n0.500000 0.888107 0.546115 B\n0.500000 0.111894 0.453885 B\n0.500000 0.611894 0.046115 B\n0.500000 0.388107 0.953885 B\n0.500000 0.861053 0.967781 B\n0.500000 0.780087 0.816665 B\n0.500000 0.638947 0.467782 B\n0.500000 0.361053 0.532218 B\n0.500000 0.025062 0.309572 B\n0.500000 0.219913 0.183334 B\n0.500000 0.719913 0.316666 B\n0.500000 0.280087 0.683334 B\n0.500000 0.138947 0.032218 B\n0.500000 0.974938 0.690428 B\n",
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}