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{
"id": "mp-1101047",
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{
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"structure_string": "Ce1 Ni1 O3\n1.0\n3.785418 0.000000 0.000000\n0.000000 3.785418 0.000000\n0.000000 0.000000 3.785418\nCe Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-1178424",
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"structure_string": "Co2 Ni2 O6\n1.0\n2.465424 1.423451 4.519483\n-2.465443 1.423445 4.519486\n0.000012 -2.846852 4.519471\nCo Ni O\n2 2 6\ndirect\n0.157713 0.157715 0.157718 Co\n0.842288 0.842285 0.842283 Co\n0.355904 0.355902 0.355903 Ni\n0.644097 0.644097 0.644097 Ni\n0.053779 0.773264 0.440717 O\n0.559286 0.946217 0.226737 O\n0.226736 0.559290 0.946215 O\n0.773263 0.440713 0.053783 O\n0.440717 0.053781 0.773261 O\n0.946218 0.226735 0.559287 O\n",
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"formula_full": "Co2 Ni2 O6",
"formula_reduced": "CoNiO3",
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"spacegroup": 148
},
{
"id": "mp-1219638",
"created_at": "2022-09-04T14:46:29.902898Z",
"structure_string": "Rb4 Ba4 N12\n1.0\n0.000000 5.318142 14.318647\n4.253211 0.000000 14.318647\n4.253211 5.318142 0.000000\nRb Ba N\n4 4 12\ndirect\n0.675954 0.675954 0.824046 Rb\n0.425954 0.425954 0.574046 Rb\n0.824046 0.824046 0.675954 Rb\n0.574046 0.574046 0.425954 Rb\n0.177152 0.177152 0.322848 Ba\n0.927152 0.927152 0.072848 Ba\n0.322848 0.322848 0.177152 Ba\n0.072848 0.072848 0.927152 Ba\n0.098744 0.621736 0.938833 N\n0.621736 0.098744 0.340687 N\n0.780799 0.219201 0.219201 N\n0.219201 0.780799 0.780799 N\n0.030799 0.469201 0.469201 N\n0.469201 0.030799 0.030799 N\n0.311167 0.909313 0.151256 N\n0.909313 0.311167 0.628264 N\n0.938833 0.340687 0.098744 N\n0.340687 0.938833 0.621736 N\n0.151256 0.628264 0.311167 N\n0.628264 0.151256 0.909313 N\n",
"nsites": 20,
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"spacegroup": 70
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{
"id": "mp-1187487",
"created_at": "2022-09-04T14:46:25.647235Z",
"structure_string": "Th1 Cu1 O3\n1.0\n3.868279 0.000000 0.000000\n0.000000 3.868279 0.000000\n0.000000 0.000000 3.868279\nTh Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"updated_at": "2021-11-28T01:37:38.373000Z",
"spacegroup": 221
},
{
"id": "mp-1214439",
"created_at": "2022-09-04T14:39:34.541904Z",
"structure_string": "Ce4 Pb4 O12\n1.0\n4.367206 -5.289592 0.000000\n4.367206 5.289592 0.000000\n0.000000 0.000000 7.816508\nCe Pb O\n4 4 12\ndirect\n0.549056 0.549056 0.750000 Ce\n0.450944 0.450944 0.250000 Ce\n0.971246 0.971246 0.750000 Ce\n0.028754 0.028754 0.250000 Ce\n0.500000 0.000000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n0.370948 0.629052 0.000000 O\n0.629052 0.370948 0.000000 O\n0.629052 0.370948 0.500000 O\n0.370948 0.629052 0.500000 O\n0.631613 0.881956 0.750000 O\n0.368387 0.118044 0.250000 O\n0.881956 0.631613 0.750000 O\n0.118044 0.368387 0.250000 O\n0.143324 0.143324 0.936228 O\n0.856676 0.856676 0.063772 O\n0.856676 0.856676 0.436228 O\n0.143324 0.143324 0.563772 O\n",
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"volume": 361.1342055144163,
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"formula_full": "Ce4 Pb4 O12",
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"spacegroup": 63
},
{
"id": "mp-1120721",
"created_at": "2022-09-04T14:39:30.822005Z",
"structure_string": "Rb2 Ge2 Br6\n1.0\n7.659493 0.000000 0.000000\n0.000000 6.244748 0.000000\n0.000000 2.609107 8.363805\nRb Ge Br\n2 2 6\ndirect\n0.750000 0.672455 0.700699 Rb\n0.250000 0.327545 0.299301 Rb\n0.750000 0.928242 0.125816 Ge\n0.250000 0.071758 0.874184 Ge\n0.750000 0.335268 0.115963 Br\n0.250000 0.664732 0.884037 Br\n0.495557 0.184713 0.675455 Br\n0.995557 0.815287 0.324545 Br\n0.004443 0.184713 0.675455 Br\n0.504443 0.815287 0.324545 Br\n",
"nsites": 10,
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"elements": [
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"density": 3.3025290604946522,
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"volume": 400.0542052871775,
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"formula_full": "Rb2 Ge2 Br6",
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{
"id": "mp-677041",
"created_at": "2022-09-04T14:39:31.014665Z",
"structure_string": "Zr4 Cu4 F12\n1.0\n3.399260 0.000000 0.000000\n-1.499797 5.339876 0.000000\n-0.413325 -2.043861 19.540555\nZr Cu F\n4 4 12\ndirect\n0.637048 0.226536 0.885890 Zr\n0.800791 0.729176 0.639761 Zr\n0.035944 0.224308 0.391869 Zr\n0.279746 0.718281 0.139231 Zr\n0.042214 0.046754 0.975148 Cu\n0.270970 0.568380 0.732781 Cu\n0.511447 0.032497 0.479501 Cu\n0.763531 0.534896 0.227398 Cu\n0.350109 0.927550 0.822808 F\n0.106897 0.355841 0.818962 F\n0.866035 0.449028 0.576159 F\n0.637136 0.563407 0.926847 F\n0.100479 0.944754 0.328829 F\n0.482186 0.865525 0.567988 F\n0.146408 0.062991 0.675207 F\n0.325115 0.425033 0.078916 F\n0.793719 0.372185 0.314473 F\n0.438759 0.542462 0.427842 F\n0.624456 0.049874 0.178738 F\n0.036409 0.861721 0.061053 F\n",
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{
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"structure_string": "Ca4 Se4 O12\n1.0\n5.460700 0.000000 0.000000\n0.000000 6.492132 0.000000\n0.000000 0.000000 8.446537\nCa Se O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.017778 0.025646 0.750000 Se\n0.482222 0.525646 0.750000 Se\n0.517778 0.474354 0.250000 Se\n0.982222 0.974354 0.250000 Se\n0.204918 0.427236 0.250000 O\n0.128905 0.170485 0.591864 O\n0.128905 0.170485 0.908136 O\n0.371095 0.670485 0.591864 O\n0.371095 0.670485 0.908136 O\n0.295082 0.927236 0.250000 O\n0.704918 0.072764 0.750000 O\n0.628905 0.329515 0.091864 O\n0.628905 0.329515 0.408136 O\n0.871095 0.829515 0.091864 O\n0.871095 0.829515 0.408136 O\n0.795082 0.572764 0.750000 O\n",
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{
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"structure_string": "K1 Mg1 F3\n1.0\n4.053446 0.000000 0.000000\n0.000000 4.053446 0.000000\n0.000000 0.000000 4.053446\nK Mg F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
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{
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{
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]
}