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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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"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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{
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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",
"nsites": 56,
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"formula_full": "Li8 Mg4 Mn12 O32",
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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",
"nsites": 21,
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"elements": [
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{
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"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-67502",
"created_at": "2022-09-04T14:35:47.965092Z",
"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-57011",
"created_at": "2022-09-04T14:37:03.432279Z",
"updated_at": "2022-09-04T14:37:03.432294Z",
"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",
"nsites": 20,
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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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"created_at": "2022-09-04T14:38:05.556590Z",
"updated_at": "2022-09-04T14:38:05.556619Z",
"structure_string": "Li4 Mn1 Cr5 O12\n1.0\n2.507596 4.355804 0.040889\n-2.500777 4.339376 0.020445\n0.040008 0.069495 9.988542\nLi Mn Cr O\n4 1 5 12\ndirect\n0.148682 0.499325 0.746916 Li\n0.351992 0.499325 0.253085 Li\n0.648008 0.500674 0.746916 Li\n0.851317 0.500674 0.253085 Li\n0.000000 0.000000 0.000000 Mn\n0.160508 0.678984 0.500000 Cr\n0.663242 0.673517 0.000000 Cr\n0.336758 0.326483 0.000000 Cr\n0.839492 0.321015 0.500000 Cr\n0.500000 -0.000001 0.500000 Cr\n0.997757 0.334140 0.895012 O\n0.319800 -0.000000 0.099812 O\n0.668102 0.334141 0.104988 O\n0.834587 0.655456 0.607654 O\n0.162190 -0.000001 0.604797 O\n0.002243 0.665859 0.104989 O\n0.509955 0.655456 0.392346 O\n0.165413 0.344543 0.392346 O\n0.331898 0.665858 0.895012 O\n0.680200 -0.000002 0.900188 O\n0.490045 0.344543 0.607654 O\n0.837810 -0.000001 0.395203 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:46.521478Z",
"structure_string": "Co1 Ni1 N1\n1.0\n2.840164 -0.461298 0.000000\n-1.832729 3.155318 0.000000\n-0.000000 0.000000 3.653946\nCo Ni N\n1 1 1\ndirect\n0.862980 0.931547 0.500001 Co\n0.785248 0.392654 -0.000000 Ni\n0.685101 0.342599 0.500001 N\n",
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{
"id": "jvasp-22557",
"created_at": "2022-09-04T14:35:48.676945Z",
"updated_at": "2022-09-04T14:35:48.676974Z",
"structure_string": "Cr1 Cu1 O2\n1.0\n2.876673 0.139342 5.610588\n1.463730 2.480355 5.610587\n0.230866 0.139342 6.300845\nCr Cu O\n1 1 2\ndirect\n0.500001 0.499999 0.500001 Cr\n0.000000 0.000000 0.000000 Cu\n0.897213 0.897204 0.897210 O\n0.102790 0.102791 0.102790 O\n",
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}
]
}