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{
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{
"id": "mp-1233753",
"created_at": "2022-09-04T14:39:42.642055Z",
"structure_string": "Mg1 I8 O12 F24\n1.0\n9.189618 -0.055958 0.096728\n-0.102660 8.677680 -3.978514\n0.113143 0.021172 10.047138\nMg I O F\n1 8 12 24\ndirect\n0.579347 0.946532 0.134152 Mg\n0.731132 0.558388 0.901551 I\n0.229144 0.919563 0.069293 I\n0.271359 0.425386 0.066959 I\n0.775490 0.090544 0.960114 I\n0.590062 0.667840 0.301387 I\n0.062849 0.843500 0.698741 I\n0.414622 0.332659 0.680217 I\n0.913005 0.160930 0.322790 I\n0.537031 0.501189 0.759375 O\n0.075147 0.965929 0.201600 O\n0.486196 0.492117 0.204271 O\n0.960869 0.020926 0.808812 O\n0.617168 0.727463 0.149816 O\n0.104507 0.785017 0.843538 O\n0.380307 0.298140 0.843829 O\n0.889460 0.201144 0.143183 O\n0.275980 0.601303 0.050313 O\n0.765620 0.916947 0.991183 O\n0.711823 0.393826 0.937138 O\n0.247006 0.091378 0.042479 O\n0.426024 0.792054 0.375204 F\n0.436999 0.345412 0.499753 F\n0.029206 0.881075 0.532792 F\n0.578955 0.631584 0.470926 F\n0.812017 0.347629 0.419436 F\n0.943581 0.173936 0.520434 F\n0.163495 0.673359 0.562714 F\n0.697189 0.841327 0.423362 F\n0.686180 0.069456 0.306658 F\n0.251774 0.457129 0.708679 F\n0.236737 0.955167 0.713754 F\n0.767978 0.565383 0.262935 F\n0.646681 0.995564 0.793433 F\n0.164329 0.500746 0.246378 F\n0.378828 0.993288 0.235099 F\n0.844900 0.470598 0.729060 F\n0.591900 0.149453 0.081359 F\n0.092042 0.353513 0.968989 F\n0.454296 0.840269 0.969523 F\n0.909456 0.627315 0.004561 F\n0.566691 0.191453 0.618831 F\n0.081446 0.287233 0.357541 F\n0.292257 0.166593 0.572984 F\n0.893200 0.719651 0.644020 F\n",
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"formula_full": "Mg1 I8 O12 F24",
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"spacegroup": 1
},
{
"id": "mp-774250",
"created_at": "2022-09-04T14:39:42.247166Z",
"structure_string": "Mn2 Al2 O6\n1.0\n0.044471 2.832591 -3.944543\n-5.243635 -0.092634 -0.004823\n-2.250372 1.747012 4.074899\nMn Al O\n2 2 6\ndirect\n0.644906 0.058438 0.285301 Mn\n0.355119 0.941554 0.714731 Mn\n0.148593 0.545184 0.299633 Al\n0.851407 0.454812 0.700363 Al\n0.784999 0.739462 0.234065 O\n0.214983 0.260547 0.765917 O\n0.082071 0.719159 0.849558 O\n0.917933 0.280834 0.150435 O\n0.447152 0.744643 0.496737 O\n0.552838 0.255367 0.503260 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.425479034357374,
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"formula_full": "Mn2 Al2 O6",
"formula_reduced": "MnAlO3",
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"updated_at": "2021-11-28T01:34:24.686000Z",
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},
{
"id": "mp-1236840",
"created_at": "2022-09-04T14:39:42.061799Z",
"structure_string": "Dy4 Sb4 O16\n1.0\n5.397434 0.000000 0.000000\n0.000000 7.571283 0.000000\n0.000000 1.187705 7.596783\nDy Sb O\n4 4 16\ndirect\n0.724750 0.888417 0.353196 Dy\n0.275250 0.111583 0.646804 Dy\n0.775250 0.388417 0.353196 Dy\n0.224750 0.611583 0.646804 Dy\n0.766969 0.305718 0.837486 Sb\n0.233031 0.694282 0.162514 Sb\n0.266969 0.194282 0.162514 Sb\n0.733031 0.805718 0.837486 Sb\n0.906036 0.806411 0.068441 O\n0.093964 0.193589 0.931559 O\n0.381215 0.939718 0.172634 O\n0.618785 0.060282 0.827366 O\n0.118785 0.439718 0.172634 O\n0.881215 0.560282 0.827366 O\n0.593964 0.306411 0.068441 O\n0.406036 0.693589 0.931559 O\n0.973046 0.323716 0.613997 O\n0.026954 0.676284 0.386003 O\n0.473046 0.176284 0.386003 O\n0.526954 0.823716 0.613997 O\n0.514877 0.620152 0.319354 O\n0.485123 0.379848 0.680646 O\n0.985123 0.120152 0.319354 O\n0.014877 0.879848 0.680646 O\n",
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"elements": [
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"density": 7.451147325524454,
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"formula_full": "Dy4 Sb4 O16",
"formula_reduced": "DySbO4",
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},
{
"id": "mp-1517988",
"created_at": "2022-09-04T14:39:42.542164Z",
"structure_string": "K1 Sr1 Nd1 Se1 O6\n1.0\n0.000000 -4.136592 -4.136592\n4.136592 0.000000 -4.136592\n4.136592 -4.136592 -0.000000\nK Sr Nd Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Se\n0.721550 0.278450 0.278450 O\n0.278450 0.721550 0.721550 O\n0.721550 0.278450 0.721550 O\n0.278450 0.721550 0.278450 O\n0.721550 0.721550 0.278450 O\n0.278450 0.278450 0.721550 O\n",
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"elements": [
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],
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"formula_full": "K1 Sr1 Nd1 Se1 O6",
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"spacegroup": 216
},
{
"id": "mp-1517982",
"created_at": "2022-09-04T14:39:42.291222Z",
"structure_string": "Ba1 Zr1 In1 Sb1 O6\n1.0\n0.000000 -4.163382 -4.163382\n4.163382 0.000000 -4.163382\n4.163382 -4.163382 0.000000\nBa Zr In Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 Sb\n0.756263 0.243737 0.243737 O\n0.243737 0.756263 0.756263 O\n0.756263 0.243737 0.756263 O\n0.243737 0.756263 0.243737 O\n0.756263 0.756263 0.243737 O\n0.243737 0.243737 0.756263 O\n",
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],
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{
"id": "mp-1245069",
"created_at": "2022-09-04T14:39:42.134436Z",
"structure_string": "Ga50 N50\n1.0\n12.381196 0.714554 0.119887\n0.702295 11.082496 -0.168241\n0.102247 -0.137489 12.274337\nGa N\n50 50\ndirect\n0.713223 0.690762 0.588805 Ga\n0.259631 0.341974 0.301859 Ga\n0.833110 0.390536 0.846199 Ga\n0.846838 0.562331 0.388402 Ga\n0.512766 0.319423 0.157972 Ga\n0.445864 0.693179 0.591257 Ga\n0.704191 0.941905 0.848891 Ga\n0.205609 0.625575 0.547983 Ga\n0.782561 0.386974 0.138906 Ga\n0.924506 0.554586 0.942318 Ga\n0.888463 0.844834 0.889877 Ga\n0.071566 0.902815 0.048897 Ga\n0.562370 0.534898 0.778295 Ga\n0.617895 0.333753 0.939555 Ga\n0.062410 0.246760 0.601531 Ga\n0.446313 0.699093 0.036790 Ga\n0.792656 0.063041 0.321055 Ga\n0.666416 0.558908 0.008804 Ga\n0.928242 0.557276 0.172400 Ga\n0.979922 0.139753 0.868202 Ga\n0.003488 0.006746 0.232706 Ga\n0.335381 0.498077 0.085779 Ga\n0.972650 0.287745 0.298638 Ga\n0.438906 0.628592 0.242711 Ga\n0.292392 0.625930 0.798406 Ga\n0.391186 0.113235 0.318329 Ga\n0.179264 0.129138 0.186845 Ga\n0.252855 0.580136 0.341362 Ga\n0.906958 0.693451 0.678961 Ga\n0.705485 0.155625 0.833091 Ga\n0.148891 0.413021 0.022275 Ga\n0.592511 0.700333 0.355384 Ga\n0.270258 0.791716 0.959185 Ga\n0.098814 0.592049 0.781483 Ga\n0.561619 0.938142 0.302316 Ga\n0.149953 0.116048 0.985608 Ga\n0.681834 0.902571 0.501656 Ga\n0.645163 0.836169 0.090632 Ga\n0.374341 0.779080 0.413879 Ga\n0.032111 0.757060 0.318415 Ga\n0.823149 0.047130 0.058034 Ga\n0.816485 0.806749 0.184982 Ga\n0.201580 0.174501 0.453113 Ga\n0.074863 0.370441 0.827584 Ga\n0.385053 0.875517 0.194009 Ga\n0.139462 0.673911 0.096743 Ga\n0.004923 0.062430 0.469593 Ga\n0.216330 0.944337 0.388121 Ga\n0.005635 0.480663 0.527986 Ga\n0.598958 0.778816 0.823833 Ga\n0.522114 0.423171 0.413159 N\n0.860296 0.414225 0.665226 N\n0.725179 0.210269 0.568371 N\n0.050908 0.226190 0.752487 N\n0.056031 0.614344 0.623969 N\n0.953082 0.684206 0.836028 N\n0.036773 0.551938 0.056775 N\n0.578161 0.673293 0.688943 N\n0.416767 0.011438 0.594446 N\n0.441903 0.527750 0.964946 N\n0.874620 0.431832 0.266365 N\n0.593125 0.721685 0.981053 N\n0.298382 0.215428 0.724048 N\n0.678352 0.994006 0.017223 N\n0.416790 0.025191 0.839835 N\n0.307094 0.306477 0.761022 N\n0.592562 0.081598 0.061407 N\n0.909157 0.900566 0.659321 N\n0.128921 0.247735 0.309956 N\n0.813485 0.539180 0.060609 N\n0.339641 0.203927 0.979936 N\n0.416563 0.244905 0.997281 N\n0.534852 0.368774 0.662989 N\n0.897773 0.694355 0.279583 N\n0.207575 0.913522 0.700690 N\n0.143675 0.653740 0.252230 N\n0.705257 0.626657 0.441975 N\n0.674703 0.007667 0.385740 N\n0.121609 0.951645 0.687270 N\n0.950838 0.196918 0.155176 N\n0.877627 0.961777 0.590152 N\n0.947786 0.981300 0.958198 N\n0.498054 0.044165 0.602627 N\n0.917036 0.141828 0.354489 N\n0.282333 0.005612 0.249608 N\n0.057674 0.914678 0.370489 N\n0.423025 0.538450 0.856892 N\n0.864785 0.215825 0.105796 N\n0.795449 0.475002 0.618775 N\n0.833650 0.221566 0.864094 N\n0.855431 0.969762 0.197808 N\n0.561167 0.352152 0.353679 N\n0.740190 0.267611 0.497809 N\n0.197970 0.946839 0.970539 N\n0.632861 0.404190 0.089316 N\n0.322230 0.630224 0.645851 N\n0.437228 0.925078 0.849710 N\n0.622802 0.157958 0.125702 N\n0.480656 0.319943 0.610342 N\n0.678558 0.469508 0.864851 N\n",
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"formula_full": "Ga50 N50",
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{
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"structure_string": "Nb4 O4 F12\n1.0\n6.697762 0.000000 0.000000\n-2.490372 7.404532 0.000000\n-3.149291 -2.471969 7.783919\nNb O F\n4 4 12\ndirect\n0.514204 0.539911 0.209435 Nb\n0.338824 0.104908 0.369299 Nb\n0.661176 0.895092 0.630701 Nb\n0.485796 0.460089 0.790565 Nb\n0.584382 0.734088 0.391070 O\n0.431547 0.313753 0.300300 O\n0.568453 0.686247 0.699700 O\n0.415618 0.265912 0.608930 O\n0.561281 0.677050 0.040984 F\n0.282787 0.915068 0.177291 F\n0.184451 0.457013 0.089921 F\n0.813017 0.529268 0.271678 F\n0.982418 0.952989 0.693102 F\n0.672365 0.111907 0.494420 F\n0.327635 0.888093 0.505580 F\n0.017582 0.047011 0.306898 F\n0.186983 0.470732 0.728322 F\n0.815549 0.542987 0.910079 F\n0.717213 0.084932 0.822709 F\n0.438719 0.322950 0.959016 F\n",
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{
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"structure_string": "Rb2 Mg1 F4\n1.0\n-2.064712 2.064712 7.009514\n2.064712 -2.064712 7.009514\n2.064712 2.064712 -7.009514\nRb Mg F\n2 1 4\ndirect\n0.648298 0.648298 0.000000 Rb\n0.351702 0.351702 0.000000 Rb\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.855364 0.855364 0.000000 F\n0.144636 0.144636 0.000000 F\n",
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{
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