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{
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{
"id": "mp-1209153",
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"structure_string": "Rb2 Al2 H8\n1.0\n1.906511 -7.499475 0.000000\n1.906511 7.499475 0.000000\n0.000000 0.000000 6.510415\nRb Al H\n2 2 8\ndirect\n0.620443 0.379557 0.166408 Rb\n0.379557 0.620443 0.666408 Rb\n0.884215 0.115785 0.144433 Al\n0.115785 0.884215 0.644433 Al\n0.808443 0.191557 0.964971 H\n0.191557 0.808443 0.464971 H\n0.390614 0.609386 0.153018 H\n0.609386 0.390614 0.653018 H\n0.014817 0.985183 0.546251 H\n0.985183 0.014817 0.046251 H\n0.847691 0.152309 0.379320 H\n0.152309 0.847691 0.879320 H\n",
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{
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"structure_string": "Y2 Zr6 F30\n1.0\n6.304314 5.269806 0.000000\n-6.304314 5.269806 0.000000\n0.000000 2.254848 7.894630\nY Zr F\n2 6 30\ndirect\n0.177458 0.822542 0.250000 Y\n0.822542 0.177458 0.750000 Y\n0.750588 0.249412 0.250000 Zr\n0.249412 0.750588 0.750000 Zr\n0.749305 0.677476 0.675332 Zr\n0.322524 0.250695 0.824668 Zr\n0.250695 0.322524 0.324668 Zr\n0.677476 0.749305 0.175332 Zr\n0.316377 0.349006 0.052454 F\n0.935862 0.814585 0.149956 F\n0.846403 0.461897 0.682016 F\n0.461897 0.846403 0.182016 F\n0.814585 0.935862 0.649956 F\n0.349006 0.316377 0.552453 F\n0.683623 0.650994 0.947546 F\n0.064138 0.185415 0.850044 F\n0.153597 0.538103 0.317984 F\n0.538103 0.153597 0.817984 F\n0.185415 0.064138 0.350044 F\n0.650994 0.683623 0.447546 F\n0.774561 0.282417 0.996333 F\n0.007443 0.275709 0.219575 F\n0.776763 0.507614 0.224151 F\n0.507614 0.776763 0.724151 F\n0.275709 0.007443 0.719575 F\n0.282417 0.774561 0.496333 F\n0.225439 0.717583 0.003667 F\n0.992557 0.724291 0.780425 F\n0.223237 0.492386 0.775849 F\n0.492386 0.223237 0.275849 F\n0.724291 0.992557 0.280425 F\n0.717583 0.225439 0.503667 F\n0.465851 0.534149 0.250000 F\n0.747148 0.954877 0.972304 F\n0.045123 0.252852 0.527696 F\n0.252852 0.045123 0.027696 F\n0.954877 0.747148 0.472304 F\n0.534149 0.465851 0.750000 F\n",
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"formula_full": "Y2 Zr6 F30",
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"spacegroup": 15
},
{
"id": "mp-1209002",
"created_at": "2022-09-04T14:46:13.148176Z",
"structure_string": "Sr4 P6 Pb6 O26\n1.0\n4.948700 -8.571400 0.000000\n4.948700 8.571400 0.000000\n0.000000 0.000000 7.425643\nSr P Pb O\n4 6 6 26\ndirect\n0.333333 0.666667 0.504593 Sr\n0.666667 0.333333 0.495407 Sr\n0.666667 0.333333 0.004593 Sr\n0.333333 0.666667 0.995407 Sr\n0.410683 0.034356 0.750000 P\n0.589317 0.965644 0.250000 P\n0.965644 0.376327 0.750000 P\n0.034356 0.623673 0.250000 P\n0.623673 0.589317 0.750000 P\n0.376327 0.410683 0.250000 P\n0.239708 0.233782 0.750000 Pb\n0.760292 0.766218 0.250000 Pb\n0.766218 0.005926 0.750000 Pb\n0.233782 0.994074 0.250000 Pb\n0.994074 0.760292 0.750000 Pb\n0.005926 0.239708 0.250000 Pb\n0.142800 0.492945 0.750000 O\n0.857200 0.507055 0.250000 O\n0.507055 0.649855 0.750000 O\n0.492945 0.350145 0.250000 O\n0.350145 0.857200 0.750000 O\n0.649855 0.142800 0.250000 O\n0.593435 0.128360 0.750000 O\n0.406565 0.871640 0.250000 O\n0.871640 0.465076 0.750000 O\n0.128360 0.534924 0.250000 O\n0.534924 0.406565 0.750000 O\n0.465076 0.593435 0.250000 O\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n0.354665 0.088206 0.580977 O\n0.645335 0.911794 0.419023 O\n0.911794 0.266459 0.580977 O\n0.645335 0.911794 0.080977 O\n0.088206 0.733541 0.419023 O\n0.354665 0.088206 0.919023 O\n0.733541 0.645335 0.580977 O\n0.088206 0.733541 0.080977 O\n0.266459 0.354665 0.419023 O\n0.911794 0.266459 0.919023 O\n0.266459 0.354665 0.080977 O\n0.733541 0.645335 0.919023 O\n",
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"formula_full": "Sr4 P6 Pb6 O26",
"formula_reduced": "Sr2P3Pb3O13",
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},
{
"id": "mp-1049220",
"created_at": "2022-09-04T14:46:13.306570Z",
"structure_string": "La2 Zn2 Cr2 Co2 O12\n1.0\n5.330056 0.000000 0.000000\n0.000000 5.325466 0.000000\n0.000000 5.293025 7.857025\nLa Zn Cr Co O\n2 2 2 2 12\ndirect\n0.283990 0.752846 0.248915 La\n0.716010 0.752846 0.748915 La\n0.783079 0.243353 0.247376 Zn\n0.216921 0.243353 0.747376 Zn\n0.237371 0.996106 0.495543 Cr\n0.762629 0.996106 0.995543 Cr\n0.249129 0.490404 0.001955 Co\n0.750871 0.490404 0.501955 Co\n0.806856 0.316891 0.754248 O\n0.016841 0.161680 0.054409 O\n0.024598 0.767311 0.453824 O\n0.548748 0.259056 0.055559 O\n0.547268 0.884264 0.442599 O\n0.270802 0.628083 0.745573 O\n0.193144 0.316891 0.254248 O\n0.983159 0.161680 0.554409 O\n0.975402 0.767311 0.953824 O\n0.451252 0.259056 0.555559 O\n0.452732 0.884264 0.942599 O\n0.729198 0.628083 0.245573 O\n",
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],
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"formula_full": "La2 Zn2 Cr2 Co2 O12",
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},
{
"id": "mp-558966",
"created_at": "2022-09-04T14:46:12.585581Z",
"structure_string": "Ca30 Re12 O72\n1.0\n18.616511 -4.828826 0.000000\n18.616511 4.828826 0.000000\n17.363990 0.000000 8.269455\nCa Re O\n30 12 72\ndirect\n0.464032 0.799392 0.173947 Ca\n0.173947 0.464032 0.799392 Ca\n0.218754 0.507996 0.920725 Ca\n0.895951 0.895951 0.895951 Ca\n0.079275 0.781246 0.492004 Ca\n0.492004 0.079275 0.781246 Ca\n0.035968 0.326053 0.700608 Ca\n0.326053 0.700608 0.035968 Ca\n0.104049 0.104049 0.104049 Ca\n0.420725 0.007996 0.718754 Ca\n0.964032 0.673947 0.299392 Ca\n0.826053 0.535968 0.200608 Ca\n0.799392 0.173947 0.464032 Ca\n0.299392 0.964032 0.673947 Ca\n0.750000 0.750000 0.750000 Ca\n0.281246 0.579275 0.992004 Ca\n0.673947 0.299392 0.964032 Ca\n0.920725 0.218754 0.507996 Ca\n0.781246 0.492004 0.079275 Ca\n0.007996 0.718754 0.420725 Ca\n0.579275 0.992004 0.281246 Ca\n0.200608 0.826053 0.535968 Ca\n0.992004 0.281246 0.579275 Ca\n0.395951 0.395951 0.395951 Ca\n0.604049 0.604049 0.604049 Ca\n0.507996 0.920725 0.218754 Ca\n0.718754 0.420725 0.007996 Ca\n0.700608 0.035968 0.326053 Ca\n0.250000 0.250000 0.250000 Ca\n0.535968 0.200608 0.826053 Ca\n0.839072 0.839072 0.839072 Re\n0.415903 0.750000 0.084097 Re\n0.915903 0.584097 0.250000 Re\n0.160928 0.160928 0.160928 Re\n0.000000 0.000000 0.000000 Re\n0.750000 0.084097 0.415903 Re\n0.500000 0.500000 0.500000 Re\n0.339072 0.339072 0.339072 Re\n0.584097 0.250000 0.915903 Re\n0.250000 0.915903 0.584097 Re\n0.660928 0.660928 0.660928 Re\n0.084097 0.415903 0.750000 Re\n0.352229 0.526468 0.679195 O\n0.942331 0.332950 0.972948 O\n0.967411 0.585955 0.773861 O\n0.973532 0.147771 0.820805 O\n0.768703 0.700397 0.209076 O\n0.290924 0.799603 0.731297 O\n0.320805 0.647771 0.473532 O\n0.930854 0.973209 0.677803 O\n0.332950 0.972948 0.942331 O\n0.026468 0.852229 0.179195 O\n0.009303 0.757807 0.698050 O\n0.990697 0.242193 0.301950 O\n0.742193 0.490697 0.801950 O\n0.914045 0.532589 0.726139 O\n0.822197 0.526791 0.569146 O\n0.273861 0.085955 0.467411 O\n0.226139 0.032589 0.414045 O\n0.414045 0.226139 0.032589 O\n0.569146 0.822197 0.526791 O\n0.647771 0.473532 0.320805 O\n0.557669 0.527052 0.167050 O\n0.442331 0.472948 0.832950 O\n0.698050 0.009303 0.757807 O\n0.069146 0.026791 0.322197 O\n0.322197 0.069146 0.026791 O\n0.057669 0.667050 0.027052 O\n0.972948 0.942331 0.332950 O\n0.200397 0.268703 0.709076 O\n0.032589 0.414045 0.226139 O\n0.677803 0.930854 0.973209 O\n0.679195 0.352229 0.526468 O\n0.726139 0.914045 0.532589 O\n0.973209 0.677803 0.930854 O\n0.801950 0.742193 0.490697 O\n0.147771 0.820805 0.973532 O\n0.473532 0.320805 0.647771 O\n0.179195 0.026468 0.852229 O\n0.852229 0.179195 0.026468 O\n0.773861 0.967411 0.585955 O\n0.799603 0.731297 0.290924 O\n0.430854 0.177803 0.473209 O\n0.268703 0.709076 0.200397 O\n0.027052 0.057669 0.667050 O\n0.198050 0.257807 0.509303 O\n0.509303 0.198050 0.257807 O\n0.231297 0.299603 0.790924 O\n0.527052 0.167050 0.557669 O\n0.177803 0.473209 0.430854 O\n0.526468 0.679195 0.352229 O\n0.301950 0.990697 0.242193 O\n0.472948 0.832950 0.442331 O\n0.532589 0.726139 0.914045 O\n0.490697 0.801950 0.742193 O\n0.790924 0.231297 0.299603 O\n0.585955 0.773861 0.967411 O\n0.731297 0.290924 0.799603 O\n0.820805 0.973532 0.147771 O\n0.667050 0.027052 0.057669 O\n0.257807 0.509303 0.198050 O\n0.026791 0.322197 0.069146 O\n0.167050 0.557669 0.527052 O\n0.209076 0.768703 0.700397 O\n0.467411 0.273861 0.085955 O\n0.526791 0.569146 0.822197 O\n0.085955 0.467411 0.273861 O\n0.242193 0.301950 0.990697 O\n0.700397 0.209076 0.768703 O\n0.299603 0.790924 0.231297 O\n0.709076 0.200397 0.268703 O\n0.757807 0.698050 0.009303 O\n0.832950 0.442331 0.472948 O\n0.473209 0.430854 0.177803 O\n",
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"formula_full": "Ca30 Re12 O72",
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},
{
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"structure_string": "Tl4 Cu4 P4 O16\n1.0\n3.490164 3.485340 0.000000\n-3.490164 3.485340 0.000000\n0.000000 1.498141 18.203065\nTl Cu P O\n4 4 4 16\ndirect\n0.208068 0.794096 0.562057 Tl\n0.205904 0.791932 0.937943 Tl\n0.791932 0.205904 0.437943 Tl\n0.794096 0.208068 0.062057 Tl\n0.673835 0.829959 0.749176 Cu\n0.170041 0.326165 0.750824 Cu\n0.326165 0.170041 0.250824 Cu\n0.829959 0.673835 0.249176 Cu\n0.702967 0.359498 0.646856 P\n0.640502 0.297033 0.853144 P\n0.297033 0.640502 0.353144 P\n0.359498 0.702967 0.146856 P\n0.867315 0.522435 0.703678 O\n0.477565 0.132685 0.796322 O\n0.132685 0.477565 0.296322 O\n0.522435 0.867315 0.203678 O\n0.209689 0.541060 0.431574 O\n0.458940 0.790311 0.068426 O\n0.790311 0.458940 0.568426 O\n0.541060 0.209689 0.931574 O\n0.395072 0.423317 0.662474 O\n0.576683 0.604928 0.837526 O\n0.604928 0.576683 0.337526 O\n0.423317 0.395072 0.162474 O\n0.768413 0.053060 0.660701 O\n0.946940 0.231587 0.839299 O\n0.231587 0.946940 0.339299 O\n0.053060 0.768413 0.160701 O\n",
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},
{
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"structure_string": "Li4 Fe4 Si2 O12\n1.0\n5.353030 -0.000020 0.000001\n-2.676533 4.832960 6.065667\n2.676535 -4.832962 6.065670\nLi Fe Si O\n4 4 2 12\ndirect\n0.999999 0.141725 0.141727 Li\n0.000001 0.641727 0.641725 Li\n0.000001 0.358287 0.358285 Li\n0.999999 0.858285 0.858287 Li\n0.000000 0.084922 0.584922 Fe\n0.499999 0.415073 0.915073 Fe\n0.000000 0.584912 0.084912 Fe\n0.500000 0.915083 0.415083 Fe\n0.499995 0.999993 0.000004 Si\n0.500005 0.500004 0.499993 Si\n0.165818 0.415820 0.084175 O\n0.165818 0.915827 0.584181 O\n0.834182 0.584175 0.915820 O\n0.834182 0.084181 0.415827 O\n0.219741 0.831081 0.013598 O\n0.219740 0.331088 0.513597 O\n0.597711 0.486394 0.668914 O\n0.597702 0.986393 0.168920 O\n0.402290 0.168914 0.986394 O\n0.402298 0.668920 0.486394 O\n0.780259 0.513597 0.331081 O\n0.780260 0.013597 0.831088 O\n",
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{
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