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{
"id": "mp-1233278",
"created_at": "2022-09-04T14:40:18.763440Z",
"structure_string": "Y3 Mg1 P3 O12\n1.0\n0.000000 0.000000 -6.295302\n-3.542038 -6.071238 0.000000\n-3.542038 6.071238 0.000000\nY Mg P O\n3 1 3 12\ndirect\n0.331448 0.000000 0.500000 Y\n0.668552 0.500000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.000000 Mg\n0.834857 0.000000 0.500000 P\n0.165142 0.500000 0.000000 P\n0.500000 0.500000 0.500000 P\n0.682447 0.856128 0.309785 O\n0.012485 0.443169 0.138515 O\n0.346616 0.691633 0.551197 O\n0.682447 0.143872 0.690215 O\n0.012485 0.556831 0.861486 O\n0.346616 0.308367 0.448803 O\n0.653384 0.551197 0.691633 O\n0.317553 0.309785 0.856128 O\n0.987515 0.138515 0.443169 O\n0.653384 0.448803 0.308367 O\n0.317553 0.690215 0.143872 O\n0.987515 0.861486 0.556831 O\n",
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{
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"updated_at": "2021-11-28T01:34:48.073000Z",
"spacegroup": 1
},
{
"id": "mp-765277",
"created_at": "2022-09-04T14:40:17.517143Z",
"structure_string": "Li12 Sn12 P12 O48\n1.0\n7.075954 0.000000 0.000000\n0.000000 9.456681 0.000000\n0.000000 9.423692 16.468756\nLi Sn P O\n12 12 12 48\ndirect\n0.483515 0.839737 0.420163 Li\n0.526861 0.170376 0.088711 Li\n0.513456 0.516377 0.732079 Li\n0.013456 0.483623 0.767921 Li\n0.026861 0.829624 0.411289 Li\n0.983515 0.160263 0.079837 Li\n0.016485 0.839737 0.920163 Li\n0.973139 0.170376 0.588711 Li\n0.986544 0.516377 0.232079 Li\n0.486544 0.483623 0.267921 Li\n0.473139 0.829624 0.911289 Li\n0.516485 0.160263 0.579837 Li\n0.747482 0.562777 0.901288 Sn\n0.761796 0.133387 0.280374 Sn\n0.758500 0.805289 0.565385 Sn\n0.258500 0.194711 0.934615 Sn\n0.261796 0.866613 0.219626 Sn\n0.247482 0.437223 0.598712 Sn\n0.752518 0.562777 0.401288 Sn\n0.738204 0.133387 0.780374 Sn\n0.741500 0.805289 0.065385 Sn\n0.241500 0.194711 0.434615 Sn\n0.238204 0.866613 0.719626 Sn\n0.252518 0.437223 0.098712 Sn\n0.237391 0.537840 0.910698 P\n0.263927 0.144153 0.269089 P\n0.253558 0.820457 0.572344 P\n0.753558 0.179543 0.927656 P\n0.763927 0.855847 0.230911 P\n0.737391 0.462160 0.589302 P\n0.262609 0.537840 0.410698 P\n0.236073 0.144153 0.769089 P\n0.246442 0.820457 0.072344 P\n0.746442 0.179543 0.427656 P\n0.736073 0.855847 0.730911 P\n0.762609 0.462160 0.089302 P\n0.073609 0.640279 0.915519 O\n0.577625 0.365292 0.101226 O\n0.092742 0.043471 0.319232 O\n0.254655 0.363892 0.991415 O\n0.758362 0.015641 0.422534 O\n0.744028 0.673887 0.752077 O\n0.253419 0.683413 0.663289 O\n0.444157 0.056425 0.317435 O\n0.084407 0.809446 0.523471 O\n0.435568 0.819287 0.527409 O\n0.263646 0.156005 0.181805 O\n0.203045 0.492538 0.843193 O\n0.703045 0.507462 0.656807 O\n0.935568 0.180713 0.972591 O\n0.763646 0.843995 0.318195 O\n0.584407 0.190554 0.976529 O\n0.944157 0.943575 0.182565 O\n0.753419 0.316587 0.836711 O\n0.244028 0.326113 0.747923 O\n0.754655 0.636108 0.508585 O\n0.258362 0.984359 0.077466 O\n0.592742 0.956529 0.180768 O\n0.077625 0.634708 0.398774 O\n0.573609 0.359721 0.584481 O\n0.426391 0.640279 0.415519 O\n0.922375 0.365292 0.601226 O\n0.407258 0.043471 0.819232 O\n0.245345 0.363892 0.491415 O\n0.741638 0.015641 0.922534 O\n0.755972 0.673887 0.252077 O\n0.246581 0.683413 0.163289 O\n0.055843 0.056425 0.817435 O\n0.415593 0.809446 0.023471 O\n0.236354 0.156005 0.681805 O\n0.064432 0.819287 0.027409 O\n0.296955 0.492538 0.343193 O\n0.796955 0.507462 0.156807 O\n0.736354 0.843995 0.818195 O\n0.564432 0.180713 0.472591 O\n0.915593 0.190554 0.476529 O\n0.555843 0.943575 0.682565 O\n0.746581 0.316587 0.336711 O\n0.255972 0.326113 0.247923 O\n0.241638 0.984359 0.577466 O\n0.745345 0.636108 0.008585 O\n0.907258 0.956529 0.680768 O\n0.422375 0.634708 0.898774 O\n0.926391 0.359721 0.084481 O\n",
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"elements": [
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"O"
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"chemical_system": "Li-O-P-Sn",
"density": 3.9892875166372654,
"density_atomic": 0.07622452920670779,
"volume": 1102.0074623512135,
"volume_molar": 7.900528639106438,
"formula_full": "Li12 Sn12 P12 O48",
"formula_reduced": "LiSnPO4",
"formula_anonymous": "ABCD4",
"energy": -575.06018238,
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"updated_at": "2021-11-28T01:35:00.057000Z",
"spacegroup": 14
},
{
"id": "mp-1034094",
"created_at": "2022-09-04T14:40:14.312991Z",
"structure_string": "Rb1 Mg14 Ga1 O16\n1.0\n8.714116 0.000000 0.000000\n0.000000 8.557326 0.000000\n0.000000 0.000000 4.481890\nRb Mg Ga O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.249298 0.500000 Mg\n0.000000 0.750702 0.500000 Mg\n0.500000 0.248692 0.500000 Mg\n0.500000 0.751308 0.500000 Mg\n0.254818 0.000000 0.500000 Mg\n0.252075 0.500000 0.500000 Mg\n0.745182 0.000000 0.500000 Mg\n0.747925 0.500000 0.500000 Mg\n0.257635 0.248944 0.000000 Mg\n0.257635 0.751056 0.000000 Mg\n0.742365 0.248944 -0.000000 Mg\n0.742365 0.751056 0.000000 Mg\n0.000000 0.500000 0.000000 Ga\n0.280202 0.000000 0.000000 O\n0.249519 0.500000 0.000000 O\n0.719798 0.000000 -0.000000 O\n0.750481 0.500000 -0.000000 O\n0.248668 0.250997 0.500000 O\n0.248668 0.749003 0.500000 O\n0.751332 0.250997 0.500000 O\n0.751332 0.749003 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.286689 0.000000 O\n0.000000 0.713311 -0.000000 O\n0.500000 0.258423 -0.000000 O\n0.500000 0.741576 0.000000 O\n",
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],
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"formula_full": "Rb1 Mg14 Ga1 O16",
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"spacegroup": 47
},
{
"id": "mp-1521990",
"created_at": "2022-09-04T14:40:15.133014Z",
"structure_string": "K1 Sm1 Hf1 Zr1 O6\n1.0\n0.000000 -4.142302 -4.142302\n4.142302 -0.000000 -4.142302\n4.142302 -4.142302 -0.000000\nK Sm Hf Zr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sm\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751897 0.248103 0.248103 O\n0.248103 0.751897 0.751897 O\n0.751897 0.248103 0.751897 O\n0.248103 0.751897 0.248103 O\n0.751897 0.751897 0.248103 O\n0.248103 0.248103 0.751897 O\n",
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],
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"formula_full": "K1 Sm1 Hf1 Zr1 O6",
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"spacegroup": 216
},
{
"id": "mp-1208884",
"created_at": "2022-09-04T14:40:21.152906Z",
"structure_string": "Sm4 Be4 Si2 O14\n1.0\n7.443933 0.000000 0.000000\n0.000000 7.443933 0.000000\n0.000000 0.000000 4.860745\nSm Be Si O\n4 4 2 14\ndirect\n0.160331 0.339669 0.508578 Sm\n0.839669 0.660331 0.508578 Sm\n0.660331 0.160331 0.491422 Sm\n0.339669 0.839669 0.491422 Sm\n0.634915 0.865085 0.961188 Be\n0.365085 0.134915 0.961188 Be\n0.134915 0.634915 0.038812 Be\n0.865085 0.365085 0.038812 Be\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.178582 O\n0.500000 0.000000 0.821418 O\n0.640289 0.859711 0.287388 O\n0.359711 0.140289 0.287388 O\n0.140289 0.640289 0.712612 O\n0.859711 0.359711 0.712612 O\n0.077540 0.835464 0.194111 O\n0.922460 0.164536 0.194111 O\n0.164536 0.077540 0.805889 O\n0.422460 0.335464 0.805889 O\n0.835464 0.922460 0.805889 O\n0.577540 0.664536 0.805889 O\n0.335464 0.577540 0.194111 O\n0.664536 0.422460 0.194111 O\n",
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{
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"structure_string": "Li4 Al20 O32\n1.0\n7.987367 0.000000 0.000000\n0.000000 7.987367 0.000000\n0.000000 0.000000 7.987367\nLi Al O\n4 20 32\ndirect\n0.125000 0.875000 0.375000 Li\n0.375000 0.125000 0.875000 Li\n0.625000 0.625000 0.625000 Li\n0.875000 0.375000 0.125000 Li\n0.997622 0.997622 0.997622 Al\n0.002378 0.497622 0.502378 Al\n0.118726 0.625000 0.131274 Al\n0.125000 0.368726 0.881274 Al\n0.131274 0.118726 0.625000 Al\n0.247622 0.747622 0.752378 Al\n0.252378 0.252378 0.252378 Al\n0.368726 0.881274 0.125000 Al\n0.375000 0.631274 0.381274 Al\n0.381274 0.375000 0.631274 Al\n0.497622 0.502378 0.002378 Al\n0.502378 0.002378 0.497622 Al\n0.618726 0.875000 0.868726 Al\n0.625000 0.131274 0.118726 Al\n0.631274 0.381274 0.375000 Al\n0.747622 0.752378 0.247622 Al\n0.752378 0.247622 0.747622 Al\n0.868726 0.618726 0.875000 Al\n0.875000 0.868726 0.618726 Al\n0.881274 0.125000 0.368726 Al\n0.614494 0.885506 0.114494 O\n0.615474 0.614717 0.366894 O\n0.864494 0.864494 0.864494 O\n0.865474 0.116894 0.135283 O\n0.866894 0.884526 0.385283 O\n0.885283 0.633106 0.115474 O\n0.114494 0.614494 0.885506 O\n0.114717 0.133106 0.384526 O\n0.115474 0.885283 0.633106 O\n0.116894 0.135283 0.865474 O\n0.133106 0.384526 0.114717 O\n0.135283 0.865474 0.116894 O\n0.364494 0.635506 0.135506 O\n0.364717 0.134526 0.616894 O\n0.365474 0.383106 0.864717 O\n0.366894 0.615474 0.614717 O\n0.383106 0.864717 0.365474 O\n0.384526 0.114717 0.133106 O\n0.385283 0.866894 0.884526 O\n0.385506 0.385506 0.385506 O\n0.614717 0.366894 0.615474 O\n0.616894 0.364717 0.134526 O\n0.633106 0.115474 0.885283 O\n0.634526 0.883106 0.635283 O\n0.635283 0.634526 0.883106 O\n0.635506 0.135506 0.364494 O\n0.864717 0.365474 0.383106 O\n0.883106 0.635283 0.634526 O\n0.884526 0.385283 0.866894 O\n0.885506 0.114494 0.614494 O\n0.134526 0.616894 0.364717 O\n0.135506 0.364494 0.635506 O\n",
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{
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