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{
"id": "jvasp-91415",
"created_at": "2022-09-04T14:36:12.117679Z",
"updated_at": "2022-09-04T14:36:12.117694Z",
"structure_string": "Li4 Al4 Si8 O24\n1.0\n5.077633 0.000000 -1.067559\n0.000000 8.498623 0.000000\n-0.143740 0.000000 9.149542\nLi Al Si O\n4 4 8 24\ndirect\n0.022036 0.012535 0.252703 Li\n0.477964 0.512535 0.747297 Li\n0.977963 0.987465 0.747297 Li\n0.522036 0.487465 0.252702 Li\n0.026312 0.654715 0.249923 Al\n0.473688 0.154715 0.750077 Al\n0.973687 0.345285 0.750077 Al\n0.526312 0.845285 0.249923 Al\n0.813264 0.658151 0.549849 Si\n0.686735 0.158151 0.450151 Si\n0.313265 0.841848 0.549849 Si\n0.186735 0.341849 0.450151 Si\n0.228963 0.657197 0.952366 Si\n0.728962 0.842803 0.952366 Si\n0.771037 0.342803 0.047633 Si\n0.271037 0.157197 0.047634 Si\n0.248734 0.830347 0.363404 O\n0.376259 0.211429 0.391897 O\n0.123740 0.711429 0.608102 O\n0.769035 0.491518 0.624433 O\n0.730964 0.991518 0.375567 O\n0.230965 0.508481 0.375567 O\n0.269035 0.008481 0.624433 O\n0.748734 0.669653 0.363404 O\n0.751265 0.169653 0.636596 O\n0.251266 0.330347 0.636596 O\n0.012376 0.217301 0.109734 O\n0.197589 0.170263 0.861732 O\n0.987624 0.782699 0.890266 O\n0.512375 0.282699 0.109734 O\n0.329850 0.984756 0.117784 O\n0.170150 0.484756 0.882216 O\n0.670150 0.015244 0.882216 O\n0.829850 0.515244 0.117784 O\n0.876259 0.288571 0.391897 O\n0.302411 0.670263 0.138267 O\n0.802410 0.829736 0.138267 O\n0.697589 0.329736 0.861732 O\n0.487624 0.717301 0.890266 O\n0.623740 0.788571 0.608102 O\n",
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{
"id": "jvasp-13743",
"created_at": "2022-09-04T14:37:14.279827Z",
"updated_at": "2022-09-04T14:37:14.279847Z",
"structure_string": "Al2 P2 O8\n1.0\n4.593108 -0.045753 0.000000\n-1.668319 4.279655 -0.000000\n-0.000000 -0.000000 6.029136\nAl P O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.347966 0.652033 0.750000 P\n0.652034 0.347967 0.250000 P\n0.762566 0.237435 0.458869 O\n0.237434 0.762565 0.958869 O\n0.237434 0.762565 0.541132 O\n0.762566 0.237435 0.041131 O\n0.220080 0.280903 0.750000 O\n0.779921 0.719097 0.250000 O\n0.280903 0.220080 0.250000 O\n0.719097 0.779920 0.750000 O\n",
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"volume": 118.05402209456997,
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"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
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"spacegroup": 63
},
{
"id": "jvasp-26231",
"created_at": "2022-09-04T14:37:16.208359Z",
"updated_at": "2022-09-04T14:37:16.208368Z",
"structure_string": "Co21 B6 Mo2\n1.0\n6.399167 -0.000000 3.694562\n2.133056 6.033193 3.694562\n-0.000000 -0.000000 7.389121\nCo B Mo\n21 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.661674 0.000000 -0.000000 Co\n0.000000 0.000000 0.661674 Co\n0.661674 0.000000 0.338326 Co\n0.000001 0.661674 -0.000000 Co\n0.661675 0.338326 -0.000000 Co\n0.338326 0.000000 0.661674 Co\n0.000001 0.661674 0.338326 Co\n0.000000 0.338326 0.661674 Co\n0.338327 0.661674 -0.000000 Co\n0.000000 0.338326 -0.000000 Co\n0.338326 0.000000 -0.000000 Co\n0.381528 0.381527 0.381527 Co\n0.000000 0.000000 0.338326 Co\n0.144583 0.618472 0.618472 Co\n0.618473 0.144582 0.618472 Co\n0.618473 0.618472 0.144582 Co\n0.381528 0.855417 0.381527 Co\n0.381528 0.381527 0.855417 Co\n0.618473 0.618472 0.618472 Co\n0.855418 0.381527 0.381527 Co\n0.275142 0.724859 0.275141 B\n0.724860 0.275141 0.275141 B\n0.724860 0.724859 0.275140 B\n0.275141 0.275141 0.724859 B\n0.724860 0.275141 0.724858 B\n0.275142 0.724859 0.724858 B\n0.250000 0.250000 0.250000 Mo\n0.750001 0.750000 0.749999 Mo\n",
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{
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"created_at": "2022-09-04T14:36:39.763833Z",
"updated_at": "2022-09-04T14:36:39.763858Z",
"structure_string": "Al2 P2 O8\n1.0\n4.592927 -0.045602 -0.000000\n-1.668114 4.279539 0.000000\n-0.000000 -0.000000 6.028755\nAl P O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.347988 0.652013 0.750001 P\n0.652014 0.347988 0.250000 P\n0.762544 0.237457 0.458889 O\n0.237458 0.762544 0.958889 O\n0.237458 0.762544 0.541112 O\n0.762544 0.237457 0.041112 O\n0.220108 0.280874 0.750001 O\n0.779895 0.719127 0.250000 O\n0.280874 0.220108 0.250000 O\n0.719127 0.779894 0.750001 O\n",
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{
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"updated_at": "2022-09-04T14:38:07.197670Z",
"structure_string": "Li2 V3 Fe1 O8\n1.0\n5.802680 0.007216 0.005102\n2.907588 5.021660 0.005102\n2.907588 1.678697 4.732766\nLi V Fe O\n2 3 1 8\ndirect\n0.125221 0.125221 0.125221 Li\n0.874779 0.874781 0.874779 Li\n0.000000 0.500000 0.500000 V\n0.500000 0.000001 0.500000 V\n0.500000 0.500001 -0.000000 V\n0.500000 0.500001 0.500000 Fe\n0.259880 0.259881 0.259880 O\n0.261824 0.261824 0.716101 O\n0.261824 0.716101 0.261824 O\n0.716101 0.261825 0.261824 O\n0.283899 0.738177 0.738176 O\n0.738176 0.283900 0.738176 O\n0.738176 0.738177 0.283899 O\n0.740120 0.740121 0.740120 O\n",
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{
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"created_at": "2022-09-04T14:36:07.681160Z",
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"structure_string": "Li1 Fe3 O6\n1.0\n-5.118221 -0.093055 -0.056953\n-0.793720 -0.238332 4.757930\n-1.587441 3.890185 2.380945\nLi Fe O\n1 3 6\ndirect\n-0.000000 0.333333 0.333333 Li\n0.500000 0.333335 0.833332 Fe\n0.500000 -0.007772 0.503885 Fe\n0.500000 0.674440 0.162780 Fe\n0.709621 0.005722 0.759039 O\n0.709621 0.660948 0.431427 O\n0.703852 0.333334 0.105906 O\n0.290379 0.660948 0.907625 O\n0.296147 0.333334 0.560759 O\n0.290379 0.005720 0.235239 O\n",
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{
"id": "jvasp-42678",
"created_at": "2022-09-04T14:36:31.020423Z",
"updated_at": "2022-09-04T14:36:31.020446Z",
"structure_string": "Mn8 O13 F3\n1.0\n6.606774 -0.015166 -0.017523\n-0.681801 6.553525 -0.025891\n-2.838161 -3.131239 5.474357\nMn O F\n8 13 3\ndirect\n0.549180 0.302517 0.851578 Mn\n0.937635 0.200029 0.146621 Mn\n0.448659 0.679224 0.643632 Mn\n0.051311 0.800313 0.351529 Mn\n0.950903 0.195056 0.647985 Mn\n0.567886 0.306697 0.362332 Mn\n0.037156 0.785168 0.834408 Mn\n0.428609 0.701203 0.143915 Mn\n0.022334 0.100841 0.385699 O\n0.520606 0.598795 0.384954 O\n0.148205 0.736781 0.115159 O\n0.286282 0.370365 0.887948 O\n0.344919 0.768225 0.881488 O\n0.616719 0.037577 0.386384 O\n0.786986 0.864077 0.883328 O\n0.882900 0.459215 0.613315 O\n0.652733 0.235927 0.118317 O\n0.849485 0.272775 0.887704 O\n0.480384 0.396347 0.612576 O\n0.988858 0.902771 0.618106 O\n0.120016 0.535934 0.384655 O\n0.398167 0.959510 0.619056 F\n0.709122 0.649890 0.120075 F\n0.220950 0.140754 0.119251 F\n",
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{
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"created_at": "2022-09-04T14:37:30.042217Z",
"updated_at": "2022-09-04T14:37:30.042243Z",
"structure_string": "Mn6 O10 F2\n1.0\n-4.592608 4.592608 2.906505\n-0.088494 4.505868 -2.909721\n-4.505868 0.088494 -2.909721\nMn O F\n6 10 2\ndirect\n0.846897 0.673704 0.673704 Mn\n0.666020 0.329239 0.329239 Mn\n0.319406 0.655532 0.655532 Mn\n0.165011 0.330379 0.330379 Mn\n0.509121 0.006504 0.006504 Mn\n0.991951 0.004205 0.004205 Mn\n-0.001470 0.695094 0.304696 O\n-0.001470 0.304696 0.695094 O\n0.667913 0.640341 0.030830 O\n0.333523 0.965871 0.363708 O\n0.367567 0.435198 0.435198 O\n0.960987 0.229842 0.229842 O\n0.702664 0.104468 0.104468 O\n0.333523 0.363708 0.965871 O\n0.667913 0.030830 0.640341 O\n0.042037 0.765891 0.765891 O\n0.299906 0.894894 0.894894 F\n0.628510 0.569597 0.569597 F\n",
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{
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"structure_string": "Ca1 H12 Cl2 O6\n1.0\n3.921329 -6.791942 -0.000000\n3.921329 6.791942 0.000000\n-0.000000 -0.000000 3.877679\nCa H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.439168 0.338508 0.104815 H\n0.661492 0.100660 0.104815 H\n0.100660 0.661492 0.895185 H\n0.338508 0.439168 0.895185 H\n0.560832 0.899341 0.895185 H\n0.899341 0.560832 0.104815 H\n0.348427 0.115087 0.527103 H\n0.766661 0.651574 0.527103 H\n0.115087 0.348427 0.472897 H\n0.651574 0.766661 0.472897 H\n0.233339 0.884913 0.472897 H\n0.884913 0.233339 0.527103 H\n0.666667 0.333333 0.427783 Cl\n0.333333 0.666667 0.572217 Cl\n0.685842 0.000000 0.000000 O\n0.785366 0.785366 0.500000 O\n0.214634 0.000000 0.500000 O\n0.000000 0.214634 0.500000 O\n0.314158 0.314158 0.000000 O\n0.000000 0.685842 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:20.140897Z",
"updated_at": "2022-09-04T14:36:20.140919Z",
"structure_string": "Li1 Fe3 O6\n1.0\n4.775162 0.028352 0.722971\n-2.575852 4.020940 0.722971\n0.023718 0.043668 5.118594\nLi Fe O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.499999 Fe\n0.170549 0.829452 0.499999 Fe\n0.829452 0.170548 0.499999 Fe\n0.425675 0.098064 0.709639 O\n0.098064 0.425675 0.709639 O\n0.772545 0.772545 0.703872 O\n0.574326 0.901936 0.290359 O\n0.227456 0.227455 0.296127 O\n0.901937 0.574325 0.290359 O\n",
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{
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"created_at": "2022-09-04T14:38:50.111587Z",
"updated_at": "2022-09-04T14:38:50.111624Z",
"structure_string": "Li2 V3 Fe1 O8\n1.0\n5.923511 -0.017912 1.696167\n4.627728 3.697627 1.696167\n-0.000402 -0.000140 6.262673\nLi V Fe O\n2 3 1 8\ndirect\n0.941727 0.941729 0.321508 Li\n0.058082 0.058082 0.653796 Li\n0.718130 0.718132 0.704631 V\n0.609811 0.609813 0.294559 V\n0.385019 0.385020 0.724308 V\n0.285956 0.285956 0.303887 Fe\n0.889057 0.889059 0.676025 O\n0.767889 0.767891 0.353674 O\n0.655737 0.655739 0.994104 O\n0.559699 0.559700 0.646817 O\n0.442471 0.442472 0.354318 O\n0.344350 0.344351 0.006148 O\n0.226720 0.226720 0.653359 O\n0.115350 0.115351 0.312868 O\n",
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{
"id": "jvasp-47583",
"created_at": "2022-09-04T14:38:14.705515Z",
"updated_at": "2022-09-04T14:38:14.705543Z",
"structure_string": "Li2 Cr3 Co1 O8\n1.0\n5.795095 -0.001161 -0.000821\n2.896543 5.019280 -0.000821\n2.896543 1.672320 4.732496\nLi Cr Co O\n2 3 1 8\ndirect\n0.121876 0.121876 0.121876 Li\n0.500229 0.500230 0.500231 Li\n0.010728 0.497211 0.497211 Cr\n0.497210 0.497211 0.010729 Cr\n0.497210 0.010729 0.497211 Cr\n0.880126 0.880128 0.880129 Co\n0.258775 0.258776 0.258776 O\n0.249440 0.713590 0.249441 O\n0.249440 0.249441 0.713591 O\n0.713589 0.249441 0.249441 O\n0.282760 0.748351 0.748352 O\n0.748350 0.748351 0.282762 O\n0.748350 0.282761 0.748352 O\n0.741902 0.741903 0.741904 O\n",
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}
]
}