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{
"id": "jvasp-17458",
"created_at": "2022-09-04T14:38:17.903801Z",
"updated_at": "2022-09-04T14:38:17.903821Z",
"structure_string": "Fe1 O1\n1.0\n2.628527 -0.000000 1.517581\n0.876176 2.478199 1.517581\n0.000000 -0.000000 3.035162\nFe O\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500001 0.499998 O\n",
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{
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"structure_string": "Tm4 B16\n1.0\n7.044177 -0.000000 -0.000000\n-0.000000 7.044177 -0.000000\n0.000000 0.000000 3.984712\nTm B\n4 16\ndirect\n0.180873 0.680874 0.000000 Tm\n0.819127 0.319127 0.000000 Tm\n0.680874 0.819127 0.000000 Tm\n0.319127 0.180873 0.000000 Tm\n0.913203 0.586798 0.500000 B\n0.413203 0.913203 0.500000 B\n0.461430 0.676763 0.500000 B\n0.586798 0.086797 0.500000 B\n0.823238 0.038570 0.500000 B\n0.538570 0.323237 0.500000 B\n0.038570 0.176763 0.500000 B\n0.323237 0.461430 0.500000 B\n0.176763 0.961431 0.500000 B\n0.500000 0.500000 0.202316 B\n0.676763 0.538570 0.500000 B\n0.961431 0.823238 0.500000 B\n0.500000 0.500000 0.797683 B\n0.086797 0.413203 0.500000 B\n0.000000 0.000000 0.202316 B\n0.000000 0.000000 0.797683 B\n",
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{
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"updated_at": "2022-09-04T14:35:47.965119Z",
"structure_string": "Be2 V1 Co1\n1.0\n2.648261 0.000000 0.000000\n0.000000 2.648261 0.000000\n0.000000 -0.000000 5.639064\nBe V Co\n2 1 1\ndirect\n0.000000 0.000000 0.038583 Be\n0.500000 0.500000 0.246099 Be\n0.500000 0.500000 0.743910 V\n0.000000 0.000000 0.471407 Co\n",
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{
"id": "jvasp-111250",
"created_at": "2022-09-04T14:38:49.182186Z",
"updated_at": "2022-09-04T14:38:49.182212Z",
"structure_string": "Be3 Si1\n1.0\n3.108038 0.000302 -2.791980\n-0.617826 3.046012 -2.791980\n-0.000247 -0.000302 4.177924\nBe Si\n3 1\ndirect\n0.750000 0.250000 0.499999 Be\n0.249999 0.750000 0.499998 Be\n0.500000 0.499999 -0.000001 Be\n0.000000 0.000000 0.000000 Si\n",
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{
"id": "jvasp-52877",
"created_at": "2022-09-04T14:37:06.522126Z",
"updated_at": "2022-09-04T14:37:06.522146Z",
"structure_string": "Mg1 H12 Cl2 O6\n1.0\n4.879763 3.472891 -0.330139\n-4.879763 3.472891 0.330139\n-0.005156 0.000000 6.126307\nMg H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.081860 0.319557 0.318962 H\n0.680443 0.918139 0.318962 H\n0.319556 0.081861 0.681038 H\n0.330805 0.279994 0.286020 H\n0.720006 0.669195 0.286020 H\n0.918139 0.680443 0.681038 H\n0.279994 0.330806 0.713981 H\n0.279038 0.720961 0.013046 H\n0.720961 0.279039 0.986954 H\n0.242816 0.757183 0.263912 H\n0.757183 0.242817 0.736089 H\n0.669194 0.720006 0.713981 H\n0.687862 0.312138 0.390886 Cl\n0.312138 0.687862 0.609114 Cl\n0.742721 0.829951 0.221696 O\n0.796161 0.203838 0.889242 O\n0.203838 0.796162 0.110759 O\n0.257278 0.170050 0.778305 O\n0.829950 0.742722 0.778305 O\n0.170049 0.257279 0.221696 O\n",
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"formula_full": "Mg1 H12 Cl2 O6",
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{
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"created_at": "2022-09-04T14:35:56.733253Z",
"updated_at": "2022-09-04T14:35:56.733270Z",
"structure_string": "Li8 Mg4 Mn12 O32\n1.0\n8.211596 -0.000000 0.000000\n0.000000 8.211596 0.000000\n-0.000000 -0.000000 8.211596\nLi Mg Mn O\n8 4 12 32\ndirect\n0.497337 0.997337 0.502664 Li\n0.247337 0.247337 0.247337 Li\n0.252664 0.752664 0.747337 Li\n0.747337 0.252664 0.752664 Li\n0.997337 0.502664 0.497337 Li\n0.752664 0.747337 0.252664 Li\n0.502664 0.497337 0.997337 Li\n0.002663 0.002663 0.002663 Li\n0.625000 0.625000 0.625000 Mg\n0.875000 0.375000 0.125000 Mg\n0.375000 0.125000 0.875000 Mg\n0.125000 0.875000 0.375000 Mg\n0.120188 0.129812 0.625000 Mn\n0.870189 0.125000 0.379812 Mn\n0.370188 0.375000 0.620189 Mn\n0.129812 0.625000 0.120188 Mn\n0.875000 0.879812 0.629812 Mn\n0.625000 0.120188 0.129812 Mn\n0.379812 0.870189 0.125000 Mn\n0.620189 0.370188 0.375000 Mn\n0.629812 0.875000 0.879812 Mn\n0.375000 0.620189 0.370188 Mn\n0.125000 0.379812 0.870189 Mn\n0.879812 0.629812 0.875000 Mn\n0.616175 0.883826 0.116175 O\n0.357918 0.376065 0.849372 O\n0.876066 0.650629 0.642083 O\n0.623935 0.349372 0.142083 O\n0.633825 0.133825 0.366175 O\n0.849372 0.357918 0.376065 O\n0.373935 0.607918 0.599372 O\n0.116175 0.616175 0.883826 O\n0.107918 0.900629 0.626065 O\n0.349372 0.142083 0.623935 O\n0.133825 0.366175 0.633825 O\n0.642083 0.876066 0.650629 O\n0.650629 0.642083 0.876066 O\n0.883826 0.116175 0.616175 O\n0.142083 0.623935 0.349372 O\n0.626065 0.107918 0.900629 O\n0.857918 0.123935 0.150628 O\n0.900629 0.626065 0.107918 O\n0.376065 0.849372 0.357918 O\n0.383825 0.383825 0.383825 O\n0.599372 0.373935 0.607918 O\n0.400629 0.873935 0.892083 O\n0.873935 0.892083 0.400629 O\n0.150628 0.857918 0.123935 O\n0.366175 0.633825 0.133825 O\n0.099372 0.126065 0.392083 O\n0.866175 0.866175 0.866175 O\n0.392083 0.099372 0.126065 O\n0.607918 0.599372 0.373935 O\n0.126065 0.392083 0.099372 O\n0.892083 0.400629 0.873935 O\n0.123935 0.150628 0.857918 O\n",
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"formula_full": "Li8 Mg4 Mn12 O32",
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{
"id": "jvasp-116747",
"created_at": "2022-09-04T14:38:45.037359Z",
"updated_at": "2022-09-04T14:38:45.037386Z",
"structure_string": "Mn4 Ru2 N6\n1.0\n5.171980 -0.003047 0.000000\n-2.927473 4.662614 0.000000\n-0.000000 -0.000000 4.922124\nMn Ru N\n4 2 6\ndirect\n0.357107 0.384761 0.520162 Mn\n0.642893 0.027654 0.520162 Mn\n0.642893 0.615238 0.020162 Mn\n0.357107 0.972344 0.020162 Mn\n0.000000 0.641664 0.443482 Ru\n0.000000 0.358336 0.943481 Ru\n0.331487 0.275093 0.881365 N\n0.668513 0.943606 0.881365 N\n0.668513 0.724905 0.381366 N\n0.331487 0.056393 0.381366 N\n0.000000 0.711181 0.841461 N\n0.000000 0.288818 0.341461 N\n",
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"volume": 118.65285081976369,
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"formula_full": "Mn4 Ru2 N6",
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{
"id": "jvasp-92603",
"created_at": "2022-09-04T14:35:55.271000Z",
"updated_at": "2022-09-04T14:35:55.271029Z",
"structure_string": "Li2 Hf1 N2\n1.0\n3.246774 0.000001 -0.000003\n-1.623386 2.811787 0.000000\n-0.000005 -0.000003 5.415725\nLi Hf N\n2 1 2\ndirect\n0.666666 0.333334 0.383888 Li\n0.333334 0.666668 0.616113 Li\n0.000000 0.000000 0.000000 Hf\n0.666666 0.333334 0.777219 N\n0.333334 0.666668 0.222781 N\n",
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{
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"created_at": "2022-09-04T14:36:40.856686Z",
"updated_at": "2022-09-04T14:36:40.856713Z",
"structure_string": "Be1 Cr1 Fe2\n1.0\n3.312105 0.000000 1.912245\n1.104035 3.122683 1.912245\n-0.000000 -0.000000 3.824489\nBe Cr Fe\n1 1 2\ndirect\n0.500000 0.500000 0.500002 Be\n0.000000 0.000000 0.000000 Cr\n0.750000 0.749999 0.750002 Fe\n0.250000 0.250000 0.250001 Fe\n",
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{
"id": "jvasp-103956",
"created_at": "2022-09-04T14:36:57.677084Z",
"updated_at": "2022-09-04T14:36:57.677100Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729897 0.079818 0.210827\n0.672816 4.112974 0.463634\n0.135189 0.032914 6.479795\nCd H C O\n1 2 3 4\ndirect\n0.500886 0.545945 0.507875 Cd\n0.881882 0.760228 0.958541 H\n0.319199 0.741664 0.032359 H\n0.128709 0.136642 0.804276 C\n0.899896 0.047679 0.199164 C\n0.067894 0.915981 -0.000367 C\n0.679383 0.316313 0.199526 O\n0.973514 0.854930 0.367392 O\n0.931376 0.415091 0.762818 O\n0.397043 0.032081 0.678749 O\n",
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{
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"updated_at": "2022-09-04T14:36:46.767430Z",
"structure_string": "Co5 Ni1 O12\n1.0\n2.431332 4.223331 0.453426\n-2.457864 4.226483 0.226713\n0.403660 0.701177 8.693031\nCo Ni O\n5 1 12\ndirect\n0.166644 0.666712 0.500000 Co\n0.666665 0.666667 0.000000 Co\n0.333335 0.333333 0.000000 Co\n0.833357 0.333288 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.035843 0.335990 0.891127 O\n0.300144 0.000000 0.108873 O\n0.628166 0.335990 0.108873 O\n0.797772 0.666675 0.608034 O\n0.131097 0.000000 0.608023 O\n0.202228 0.333325 0.391966 O\n0.535553 0.666675 0.391966 O\n0.699855 0.000001 0.891127 O\n0.371835 0.664009 0.891127 O\n0.964157 0.664009 0.108873 O\n0.464447 0.333325 0.608034 O\n0.868903 0.000000 0.391977 O\n",
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{
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"created_at": "2022-09-04T14:38:43.358788Z",
"updated_at": "2022-09-04T14:38:43.358819Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729637 0.080758 0.214237\n0.671870 4.112751 0.464532\n0.130294 0.032400 6.480819\nCd H C O\n1 2 3 4\ndirect\n0.524596 0.721956 0.502528 Cd\n0.143527 0.507787 0.051789 H\n0.706190 0.526190 0.978072 H\n0.125630 0.220238 0.811226 C\n0.896989 0.131232 0.206102 C\n0.957595 0.351933 0.010746 C\n0.094485 0.852813 0.247508 O\n0.628660 0.235743 0.331678 O\n0.346190 0.951577 0.810848 O\n0.051981 0.413004 0.643022 O\n",
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"spacegroup": 1
}
]
}