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{
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{
"id": "mp-567926",
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"structure_string": "B8 Rh10\n1.0\n1.667950 -2.888974 0.000000\n1.667950 2.888974 0.000000\n0.000000 0.000000 20.623444\nB Rh\n8 10\ndirect\n0.666667 0.333333 0.086282 B\n0.333333 0.666667 0.586282 B\n0.666667 0.333333 0.303622 B\n0.333333 0.666667 0.696378 B\n0.666667 0.333333 0.196378 B\n0.333333 0.666667 0.803622 B\n0.333333 0.666667 0.913718 B\n0.666667 0.333333 0.413718 B\n0.000000 0.000000 0.852238 Rh\n0.000000 0.000000 0.647762 Rh\n0.000000 0.000000 0.352238 Rh\n0.666667 0.333333 0.952288 Rh\n0.666667 0.333333 0.547712 Rh\n0.666667 0.333333 0.750000 Rh\n0.000000 0.000000 0.147762 Rh\n0.333333 0.666667 0.452288 Rh\n0.333333 0.666667 0.047712 Rh\n0.333333 0.666667 0.250000 Rh\n",
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{
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"created_at": "2022-09-04T14:43:35.414205Z",
"structure_string": "N8 O4\n1.0\n6.005829 0.000000 0.000000\n0.000000 6.005829 0.000000\n0.000000 0.000000 6.005829\nN O\n8 4\ndirect\n0.498299 0.501701 0.001701 N\n0.501701 0.001701 0.498299 N\n0.001701 0.498299 0.501701 N\n0.998299 0.998299 0.998299 N\n0.388562 0.611438 0.111438 N\n0.611438 0.111438 0.388562 N\n0.111438 0.388562 0.611438 N\n0.888562 0.888562 0.888562 N\n0.613198 0.386802 0.886802 O\n0.386802 0.886802 0.613198 O\n0.886802 0.613198 0.386802 O\n0.113198 0.113198 0.113198 O\n",
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{
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"structure_string": "Ca4 Mg4 Ge4 O16\n1.0\n5.051351 0.000000 0.000000\n0.000000 6.456561 0.000000\n0.000000 0.000000 11.376649\nCa Mg Ge O\n4 4 4 16\ndirect\n0.511481 0.250000 0.775397 Ca\n0.988519 0.250000 0.275397 Ca\n0.488519 0.750000 0.224603 Ca\n0.011481 0.750000 0.724603 Ca\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.078818 0.250000 0.580810 Ge\n0.421182 0.250000 0.080810 Ge\n0.578818 0.750000 0.919190 Ge\n0.921182 0.750000 0.419190 Ge\n0.264081 0.468046 0.148184 O\n0.764081 0.531954 0.351816 O\n0.756150 0.750000 0.057108 O\n0.235919 0.031954 0.648184 O\n0.235919 0.468046 0.648184 O\n0.730586 0.250000 0.579812 O\n0.764081 0.968046 0.351816 O\n0.230586 0.750000 0.920188 O\n0.743850 0.750000 0.557108 O\n0.264081 0.031954 0.148184 O\n0.735919 0.531954 0.851816 O\n0.269414 0.750000 0.420188 O\n0.769414 0.250000 0.079812 O\n0.735919 0.968046 0.851816 O\n0.243850 0.250000 0.942892 O\n0.256150 0.250000 0.442892 O\n",
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{
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"structure_string": "K4 Te2 O2 F8\n1.0\n3.218864 -7.147536 0.000000\n3.218864 7.147536 0.000000\n0.000000 0.000000 6.721015\nK Te O F\n4 2 2 8\ndirect\n0.426957 0.573043 0.250000 K\n0.573043 0.426957 0.750000 K\n0.750472 0.249528 0.250000 K\n0.249528 0.750472 0.750000 K\n0.110023 0.889977 0.250000 Te\n0.889977 0.110023 0.750000 Te\n0.762845 0.237155 0.750000 O\n0.237155 0.762845 0.250000 O\n0.122983 0.347596 0.532584 F\n0.347596 0.122983 0.467416 F\n0.122983 0.347596 0.967416 F\n0.347596 0.122983 0.032584 F\n0.877017 0.652404 0.032584 F\n0.652404 0.877017 0.967416 F\n0.652404 0.877017 0.532584 F\n0.877017 0.652404 0.467416 F\n",
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{
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"structure_string": "Cd4 Sb10 O4 F62\n1.0\n11.696475 0.000000 0.000000\n0.000000 10.562483 0.000000\n0.000000 3.247984 10.241077\nCd Sb O F\n4 10 4 62\ndirect\n0.644329 0.641914 0.977767 Cd\n0.144329 0.858086 0.022233 Cd\n0.355671 0.358086 0.022233 Cd\n0.855671 0.141914 0.977767 Cd\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.667496 0.256677 0.258054 Sb\n0.167496 0.243323 0.741946 Sb\n0.332504 0.743323 0.741946 Sb\n0.832504 0.756677 0.258054 Sb\n0.814620 0.950034 0.696767 Sb\n0.314620 0.549966 0.303233 Sb\n0.185380 0.049966 0.303233 Sb\n0.685380 0.450034 0.696767 Sb\n0.998875 0.324887 0.444064 O\n0.498875 0.175113 0.555936 O\n0.001125 0.675113 0.555936 O\n0.501125 0.824887 0.444064 O\n0.952036 0.319565 0.018726 F\n0.452036 0.180435 0.981274 F\n0.047964 0.680435 0.981274 F\n0.547964 0.819565 0.018726 F\n0.960296 0.884845 0.765505 F\n0.460296 0.615155 0.234495 F\n0.039704 0.115155 0.234495 F\n0.539704 0.384845 0.765505 F\n0.802896 0.817900 0.609835 F\n0.302896 0.682100 0.390165 F\n0.197104 0.182100 0.390165 F\n0.697104 0.317900 0.609835 F\n0.743291 0.826881 0.850094 F\n0.243291 0.673119 0.149906 F\n0.256709 0.173119 0.149906 F\n0.756709 0.326881 0.850094 F\n0.679260 0.444150 0.165108 F\n0.179260 0.055850 0.834892 F\n0.320740 0.555850 0.834892 F\n0.820740 0.944150 0.165108 F\n0.980160 0.466263 0.182204 F\n0.480160 0.033737 0.817796 F\n0.019840 0.533737 0.817796 F\n0.519840 0.966263 0.182204 F\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n0.844255 0.557539 0.970066 F\n0.344255 0.942461 0.029934 F\n0.155745 0.442461 0.029934 F\n0.655745 0.057539 0.970066 F\n0.730326 0.216522 0.108139 F\n0.230326 0.283478 0.891861 F\n0.269674 0.783478 0.891861 F\n0.769674 0.716522 0.108139 F\n0.820971 0.076270 0.796080 F\n0.320971 0.423730 0.203920 F\n0.179029 0.923730 0.203920 F\n0.679029 0.576270 0.796080 F\n0.517325 0.258506 0.186017 F\n0.017325 0.241494 0.813983 F\n0.482675 0.741494 0.813983 F\n0.982675 0.758506 0.186017 F\n0.817063 0.265478 0.322190 F\n0.317063 0.234522 0.677810 F\n0.182937 0.734522 0.677810 F\n0.682937 0.765478 0.322190 F\n0.594065 0.302533 0.403483 F\n0.094065 0.197467 0.596517 F\n0.405935 0.697467 0.596517 F\n0.905935 0.802533 0.403483 F\n0.880450 0.081009 0.552872 F\n0.380450 0.418991 0.447128 F\n0.119550 0.918991 0.447128 F\n0.619550 0.581009 0.552872 F\n0.662419 0.010056 0.640871 F\n0.162419 0.489944 0.359129 F\n0.337581 0.989944 0.359129 F\n0.837581 0.510056 0.640871 F\n0.653607 0.073831 0.349728 F\n0.153607 0.426169 0.650272 F\n0.346393 0.926169 0.650272 F\n0.846393 0.573831 0.349728 F\n",
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{
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{
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"structure_string": "Mn2 Bi2 S4 Br2\n1.0\n1.971731 6.384231 0.000000\n-1.971731 6.384231 0.000000\n0.000000 0.248556 9.525147\nMn Bi S Br\n2 2 4 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.785470 0.785470 0.803148 Bi\n0.214530 0.214530 0.196852 Bi\n0.863956 0.863956 0.053525 S\n0.428681 0.428681 0.754665 S\n0.136044 0.136044 0.946475 S\n0.571319 0.571319 0.245335 S\n0.865738 0.865738 0.433956 Br\n0.134262 0.134262 0.566044 Br\n",
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{
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{
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"structure_string": "Li2 Mn2 P2 O8\n1.0\n0.000000 4.373131 0.000000\n-0.000001 -0.000001 9.399488\n4.373131 0.000000 0.000000\nLi Mn P O\n2 2 2 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.750000 0.500000 Mn\n0.500000 0.250000 0.000000 Mn\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 P\n0.219906 0.095898 0.190492 O\n0.719906 0.595898 0.690492 O\n0.309509 0.404102 0.719906 O\n0.809509 0.904102 0.219906 O\n0.780093 0.095898 0.809509 O\n0.280093 0.595898 0.309509 O\n0.690492 0.404102 0.280093 O\n0.190492 0.904102 0.780093 O\n",
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"volume": 179.7583909570449,
"volume_molar": 7.732359522388825,
"formula_full": "Li2 Mn2 P2 O8",
"formula_reduced": "LiMnPO4",
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{
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"structure_string": "Pt4 O8\n1.0\n4.999639 0.000000 0.000000\n0.000000 4.999639 0.000000\n0.000000 0.000000 4.999639\nPt O\n4 8\ndirect\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.158748 0.841252 0.341252 O\n0.841252 0.341252 0.158748 O\n0.341252 0.158748 0.841252 O\n0.658748 0.658748 0.658748 O\n0.841252 0.158748 0.658748 O\n0.158748 0.658748 0.841252 O\n0.658748 0.841252 0.158748 O\n0.341252 0.341252 0.341252 O\n",
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]
}