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{
"id": "jvasp-112530",
"created_at": "2022-09-04T14:38:41.170465Z",
"updated_at": "2022-09-04T14:38:41.170496Z",
"structure_string": "Pr2 Al2 Fe15\n1.0\n6.345331 0.006594 0.869247\n0.759175 6.299756 0.869247\n0.007429 0.006594 6.404589\nPr Al Fe\n2 2 15\ndirect\n0.652725 0.652725 0.652726 Pr\n0.347275 0.347275 0.347275 Pr\n0.898369 0.898369 0.898371 Al\n0.101630 0.101630 0.101630 Al\n0.661757 0.661758 0.157857 Fe\n0.338242 0.842143 0.338243 Fe\n0.842143 0.338242 0.338243 Fe\n0.338242 0.338242 0.842144 Fe\n0.284880 0.715120 0.000001 Fe\n0.715120 -0.000001 0.284881 Fe\n0.284880 -0.000001 0.715120 Fe\n0.157856 0.661758 0.661758 Fe\n-0.000001 0.715120 0.284881 Fe\n0.715119 0.284880 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n-0.000000 0.284880 0.715120 Fe\n0.661758 0.157856 0.661758 Fe\n",
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{
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"updated_at": "2022-09-04T14:37:45.498126Z",
"structure_string": "Pr1 Al8 Fe4\n1.0\n-0.000000 -0.000000 -5.062447\n4.399683 4.399683 2.531225\n4.399683 -4.399683 -2.531225\nPr Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.225070 0.225070 Al\n0.274929 0.774929 0.225071 Al\n-0.000000 0.342348 0.342348 Al\n0.657653 0.657653 0.342348 Al\n0.342347 0.342348 0.657653 Al\n0.000000 0.657653 0.657653 Al\n0.725072 0.225071 0.774929 Al\n0.500000 0.774929 0.774929 Al\n0.000001 0.500000 0.000000 Fe\n0.500001 0.500000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.499999 0.000000 0.500000 Fe\n",
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{
"id": "jvasp-109067",
"created_at": "2022-09-04T14:38:15.880084Z",
"updated_at": "2022-09-04T14:38:15.880104Z",
"structure_string": "Pa1 Al1 Fe2\n1.0\n3.835290 -0.000000 2.214306\n1.278430 3.615946 2.214306\n-0.000000 -0.000000 4.428611\nPa Al Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pa\n0.500000 0.500001 0.500001 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750001 0.750001 Fe\n",
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{
"id": "jvasp-111769",
"created_at": "2022-09-04T14:38:52.874235Z",
"updated_at": "2022-09-04T14:38:52.874254Z",
"structure_string": "Ti2 Al2 Fe2 O10\n1.0\n5.078919 0.030070 0.000000\n-3.757430 3.417316 -0.000000\n0.000000 0.000000 9.598059\nTi Al Fe O\n2 2 2 10\ndirect\n0.125774 0.874228 0.059995 Ti\n0.874227 0.125774 0.559995 Ti\n0.803133 0.196868 0.253027 Al\n0.196868 0.803133 0.753027 Al\n0.856837 0.143163 0.937538 Fe\n0.143164 0.856838 0.437538 Fe\n0.687546 0.312455 0.422918 O\n0.316838 0.683164 0.577907 O\n0.683163 0.316838 0.077907 O\n0.312455 0.687546 0.922918 O\n0.952162 0.047838 0.379618 O\n0.058229 0.941773 0.617136 O\n0.941772 0.058229 0.117136 O\n0.047839 0.952163 0.879618 O\n0.247948 0.752053 0.251860 O\n0.752053 0.247948 0.751860 O\n",
"nsites": 16,
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"elements": [
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"volume": 167.6709601544432,
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"formula_full": "Ti2 Al2 Fe2 O10",
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{
"id": "jvasp-97389",
"created_at": "2022-09-04T14:35:51.348805Z",
"updated_at": "2022-09-04T14:35:51.348828Z",
"structure_string": "Al4 Fe4 P4 O20\n1.0\n5.480674 0.006217 0.000007\n-1.055706 7.100451 -0.000014\n0.000017 -0.000018 10.477460\nAl Fe P O\n4 4 4 20\ndirect\n0.546324 0.360085 0.174596 Al\n0.953676 0.639916 0.674597 Al\n0.046323 0.360084 0.325403 Al\n0.453677 0.639915 0.825405 Al\n0.102320 0.016837 0.142019 Fe\n0.897679 0.983164 0.857982 Fe\n0.602318 0.016837 0.357981 Fe\n0.397681 0.983163 0.642019 Fe\n0.441624 0.221794 0.901852 P\n0.558374 0.778206 0.098149 P\n0.941626 0.221793 0.598148 P\n0.058373 0.778207 0.401852 P\n0.603607 0.607711 0.179230 O\n0.396391 0.392289 0.820771 O\n0.896392 0.392288 0.679229 O\n0.103606 0.607712 0.320771 O\n0.691425 0.117756 0.548116 O\n0.259824 0.727616 0.715013 O\n0.240176 0.272385 0.215014 O\n0.108281 0.288187 0.482791 O\n0.391718 0.711812 0.982792 O\n0.891718 0.711813 0.517209 O\n0.608281 0.288188 0.017209 O\n0.429436 0.913971 0.180864 O\n0.070565 0.086029 0.680862 O\n0.570564 0.086029 0.819137 O\n0.929435 0.913971 0.319139 O\n0.191423 0.117756 0.951884 O\n0.308574 0.882244 0.451885 O\n0.808575 0.882244 0.048117 O\n0.759825 0.727615 0.784986 O\n0.740175 0.272384 0.284987 O\n",
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"density_atomic": 0.07846948842997568,
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"formula_full": "Al4 Fe4 P4 O20",
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"formula_anonymous": "ABCD5",
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"spacegroup": 14
},
{
"id": "jvasp-58468",
"created_at": "2022-09-04T14:38:34.151794Z",
"updated_at": "2022-09-04T14:38:34.151822Z",
"structure_string": "Al2 Fe4 O8\n1.0\n5.128833 0.042711 2.892356\n1.709245 4.835827 2.892356\n0.059866 0.042711 5.887875\nAl Fe O\n2 4 8\ndirect\n0.625003 0.625003 0.625004 Al\n0.374997 0.374997 0.374997 Al\n-0.000001 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.000001 Fe\n0.000000 -0.000000 0.499999 Fe\n0.250305 0.749895 0.749895 O\n0.250105 0.250105 0.749695 O\n0.250104 0.749695 0.250106 O\n0.250112 0.250113 0.250113 O\n0.749894 0.749895 0.250306 O\n0.749695 0.250105 0.250106 O\n0.749895 0.250305 0.749895 O\n0.749887 0.749887 0.749888 O\n",
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"volume": 144.34973137295938,
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"formula_full": "Al2 Fe4 O8",
"formula_reduced": "Al(FeO2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-11238",
"created_at": "2022-09-04T14:37:53.289449Z",
"updated_at": "2022-09-04T14:37:53.289477Z",
"structure_string": "Al2 Fe2 O6\n1.0\n1.540910 -2.668933 0.000000\n1.540910 2.668933 -0.000000\n-0.000000 -0.000000 11.607079\nAl Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.750000 Fe\n0.333333 0.666667 0.250000 Fe\n0.333333 0.666667 0.421241 O\n0.666667 0.333333 0.921241 O\n0.666667 0.333333 0.578759 O\n0.333333 0.666667 0.078759 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
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"formula_full": "Al2 Fe2 O6",
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"spacegroup": 194
},
{
"id": "jvasp-11608",
"created_at": "2022-09-04T14:37:19.232564Z",
"updated_at": "2022-09-04T14:37:19.232587Z",
"structure_string": "Al4 Fe2 O8\n1.0\n5.017627 -0.000284 2.897151\n1.672273 4.730788 2.897149\n-0.000022 -0.000013 5.794332\nAl Fe O\n4 2 8\ndirect\n0.499999 0.500003 0.499999 Al\n0.500001 0.500000 -0.000001 Al\n0.499999 0.000001 0.499999 Al\n-0.000000 0.500000 0.500001 Al\n0.874996 0.875003 0.875000 Fe\n0.125001 0.124998 0.125000 Fe\n0.735018 0.735026 0.734977 O\n0.264980 0.264982 0.705020 O\n0.265019 0.705019 0.264981 O\n0.705021 0.265020 0.264978 O\n0.734980 0.294982 0.735017 O\n0.294978 0.734981 0.735023 O\n0.264982 0.264979 0.265018 O\n0.735022 0.735019 0.294980 O\n",
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{
"id": "jvasp-11602",
"created_at": "2022-09-04T14:37:12.697885Z",
"updated_at": "2022-09-04T14:37:12.697899Z",
"structure_string": "Al4 Fe2 O8\n1.0\n5.672464 0.021673 0.019385\n2.855002 4.901660 0.019385\n2.858316 1.650249 4.667611\nAl Fe O\n4 2 8\ndirect\n0.128930 0.128930 0.121070 Al\n0.500000 0.500000 -0.000001 Al\n0.500000 0.500000 0.499999 Al\n0.871071 0.871071 0.878928 Al\n0.000000 0.500000 0.499999 Fe\n0.500000 -0.000000 0.499999 Fe\n0.263000 0.263000 0.239531 O\n0.263000 0.263000 0.734469 O\n0.267950 0.734973 0.248538 O\n0.734972 0.267949 0.248538 O\n0.265028 0.732051 0.751460 O\n0.732051 0.265028 0.751460 O\n0.737001 0.737001 0.265529 O\n0.737001 0.737001 0.760467 O\n",
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{
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"structure_string": "Al4 Fe2 O8\n1.0\n5.017822 0.000000 2.897041\n1.672607 4.730848 2.897041\n-0.000000 -0.000000 5.794081\nAl Fe O\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.875000 0.875000 0.874999 Fe\n0.125000 0.125000 0.125000 Fe\n0.735006 0.735006 0.735005 O\n0.264994 0.264994 0.705017 O\n0.264994 0.705017 0.264994 O\n0.705017 0.264994 0.264994 O\n0.735006 0.294983 0.735006 O\n0.294983 0.735006 0.735005 O\n0.264994 0.264994 0.264994 O\n0.735006 0.735006 0.294983 O\n",
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{
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"updated_at": "2022-09-04T14:37:01.260994Z",
"structure_string": "Al1 Fe1 O3\n1.0\n3.696341 0.000000 0.000000\n0.000000 3.696341 0.000000\n0.000000 0.000000 3.695971\nAl Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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},
{
"id": "jvasp-19282",
"created_at": "2022-09-04T14:37:00.103610Z",
"updated_at": "2022-09-04T14:37:00.103643Z",
"structure_string": "Al4 Fe4 O14\n1.0\n5.665597 0.000081 3.271183\n1.888624 5.341846 3.271159\n-0.000243 -0.000203 6.542787\nAl Fe O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500001 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.500001 0.500000 Al\n0.000000 0.500000 -0.000000 Fe\n0.500001 -0.000001 -0.000001 Fe\n0.000001 -0.000001 0.500000 Fe\n0.000000 -0.000000 -0.000000 Fe\n0.656699 0.093322 0.093272 O\n0.093389 0.093326 0.656653 O\n0.656682 0.656696 0.093277 O\n0.906611 0.343376 0.343361 O\n0.343347 0.906675 0.343320 O\n0.343317 0.343306 0.906723 O\n0.343301 0.906680 0.906728 O\n0.906610 0.343333 0.906721 O\n0.093390 0.656624 0.656639 O\n0.656654 0.093325 0.656680 O\n0.375037 0.374992 0.374964 O\n0.624963 0.625009 0.625036 O\n0.906611 0.906675 0.343348 O\n0.093389 0.656669 0.093278 O\n",
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]
}