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{
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{
"id": "mp-16160",
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"structure_string": "Sm16 Au8 O36\n1.0\n6.100679 0.000000 0.000000\n0.000000 11.948055 0.000000\n0.000000 0.000000 11.957469\nSm Au O\n16 8 36\ndirect\n0.258695 0.988714 0.089890 Sm\n0.258695 0.011286 0.410110 Sm\n0.241305 0.511286 0.589890 Sm\n0.241305 0.488714 0.910110 Sm\n0.741305 0.011286 0.910110 Sm\n0.741305 0.988714 0.589890 Sm\n0.758695 0.488714 0.410110 Sm\n0.758695 0.511286 0.089890 Sm\n0.196167 0.659430 0.264002 Sm\n0.196167 0.340570 0.235998 Sm\n0.303833 0.840570 0.764002 Sm\n0.303833 0.159430 0.735998 Sm\n0.803833 0.340570 0.735998 Sm\n0.803833 0.659430 0.764002 Sm\n0.696167 0.159430 0.235998 Sm\n0.696167 0.840570 0.264002 Sm\n0.419728 0.728688 0.010690 Au\n0.419728 0.271312 0.489310 Au\n0.080272 0.771312 0.510690 Au\n0.080272 0.228688 0.989310 Au\n0.580272 0.271312 0.989310 Au\n0.580272 0.728688 0.510690 Au\n0.919728 0.228688 0.489310 Au\n0.919728 0.771312 0.010690 Au\n0.063282 0.613636 0.445499 O\n0.063282 0.386364 0.054501 O\n0.436718 0.886364 0.945499 O\n0.436718 0.113636 0.554501 O\n0.936718 0.386364 0.554501 O\n0.936718 0.613636 0.945499 O\n0.563282 0.113636 0.054501 O\n0.563282 0.886364 0.445499 O\n0.060435 0.836774 0.350549 O\n0.060435 0.163226 0.149451 O\n0.439565 0.663226 0.850549 O\n0.439565 0.336774 0.649451 O\n0.939565 0.163226 0.649451 O\n0.939565 0.836774 0.850549 O\n0.372737 0.803474 0.159417 O\n0.560435 0.336774 0.149451 O\n0.388429 0.576078 0.088797 O\n0.388429 0.423922 0.411203 O\n0.111571 0.923922 0.588797 O\n0.111571 0.076078 0.911203 O\n0.611571 0.423922 0.911203 O\n0.611571 0.576078 0.588797 O\n0.888429 0.076078 0.411203 O\n0.888429 0.923922 0.088797 O\n0.976568 0.500000 0.250000 O\n0.523432 0.000000 0.750000 O\n0.023432 0.500000 0.750000 O\n0.476568 0.000000 0.250000 O\n0.872737 0.696526 0.159417 O\n0.872737 0.303474 0.340583 O\n0.627263 0.803474 0.659417 O\n0.627263 0.196526 0.840583 O\n0.127263 0.303474 0.840583 O\n0.127263 0.696526 0.659417 O\n0.372737 0.196526 0.340583 O\n0.560435 0.663226 0.350549 O\n",
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},
{
"id": "mp-17564",
"created_at": "2022-09-04T14:45:31.003117Z",
"structure_string": "Ca20 Sb12\n1.0\n8.315983 0.000000 0.000000\n0.000000 9.588597 0.000000\n0.000000 0.000000 12.643620\nCa Sb\n20 12\ndirect\n0.308402 0.958298 0.078095 Ca\n0.808402 0.041702 0.421905 Ca\n0.691598 0.458298 0.921905 Ca\n0.191598 0.541702 0.578095 Ca\n0.691598 0.041702 0.921905 Ca\n0.191598 0.958298 0.578095 Ca\n0.308402 0.541702 0.078095 Ca\n0.808402 0.458298 0.421905 Ca\n0.680893 0.750000 0.227635 Ca\n0.180893 0.250000 0.272365 Ca\n0.319107 0.250000 0.772365 Ca\n0.819107 0.750000 0.727635 Ca\n0.153673 0.750000 0.292903 Ca\n0.653673 0.250000 0.207097 Ca\n0.846327 0.250000 0.707097 Ca\n0.346327 0.750000 0.792903 Ca\n0.535582 0.750000 0.504675 Ca\n0.035582 0.250000 0.995325 Ca\n0.464418 0.250000 0.495325 Ca\n0.964418 0.750000 0.004675 Ca\n0.938349 0.011673 0.171005 Sb\n0.438349 0.988327 0.328995 Sb\n0.061651 0.511673 0.828995 Sb\n0.561651 0.488327 0.671005 Sb\n0.061651 0.988327 0.828995 Sb\n0.561651 0.011673 0.671005 Sb\n0.938349 0.488327 0.171005 Sb\n0.438349 0.511673 0.328995 Sb\n0.576845 0.750000 0.984623 Sb\n0.076845 0.250000 0.515377 Sb\n0.423155 0.250000 0.015377 Sb\n0.923155 0.750000 0.484623 Sb\n",
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{
"id": "mp-1227866",
"created_at": "2022-09-04T14:45:31.006799Z",
"structure_string": "Ce9 Se6 N3 O3\n1.0\n2.005946 12.259218 0.000000\n-2.005946 12.259218 0.000000\n0.000000 0.891895 9.324525\nCe Se N O\n9 6 3 3\ndirect\n0.462451 0.462451 0.679154 Ce\n0.538473 0.538473 0.320991 Ce\n0.090168 0.090168 0.647560 Ce\n0.907267 0.907267 0.352954 Ce\n0.187645 0.187645 0.008974 Ce\n0.812565 0.812565 0.991772 Ce\n0.000462 0.000462 0.995224 Ce\n0.280379 0.280379 0.662986 Ce\n0.719441 0.719441 0.337327 Ce\n0.131962 0.131962 0.325151 Se\n0.867522 0.867522 0.673254 Se\n0.411666 0.411666 0.036438 Se\n0.589417 0.589417 0.969550 Se\n0.309765 0.309765 0.329278 Se\n0.689874 0.689874 0.672373 Se\n0.276348 0.276348 0.901358 N\n0.723831 0.723831 0.099391 N\n0.002268 0.002268 0.756410 N\n0.447550 0.447550 0.430236 O\n0.552539 0.552539 0.562923 O\n0.998406 0.998406 0.246697 O\n",
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"formula_full": "Ce9 Se6 N3 O3",
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"updated_at": "2021-11-28T01:37:02.748000Z",
"spacegroup": 8
},
{
"id": "mp-1027873",
"created_at": "2022-09-04T14:45:31.013861Z",
"structure_string": "Cs1 Mg14 Zr1\n1.0\n6.574226 -0.057884 0.000000\n-3.337242 5.780272 0.000000\n0.000000 0.000000 10.558015\nCs Mg Zr\n1 14 1\ndirect\n0.162928 0.831464 0.125000 Cs\n0.164808 0.332403 0.625000 Mg\n0.168431 0.834215 0.625000 Mg\n0.665630 0.331610 0.125000 Mg\n0.667857 0.330362 0.625000 Mg\n0.665630 0.834020 0.125000 Mg\n0.667857 0.837494 0.625000 Mg\n0.335742 0.182406 0.387211 Mg\n0.335742 0.182406 0.862789 Mg\n0.335742 0.653337 0.387211 Mg\n0.335742 0.653337 0.862789 Mg\n0.837774 0.168888 0.370697 Mg\n0.837774 0.168888 0.879303 Mg\n0.815930 0.657966 0.392092 Mg\n0.815930 0.657966 0.857908 Mg\n0.186483 0.343241 0.125000 Zr\n",
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],
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"volume": 399.1736466369409,
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"formula_full": "Cs1 Mg14 Zr1",
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{
"id": "mp-1249486",
"created_at": "2022-09-04T14:45:30.943771Z",
"structure_string": "Mn12 Si12 O48\n1.0\n-5.782822 5.782822 5.782822\n5.782822 -5.782822 5.782822\n5.782822 5.782822 -5.782822\nMn Si O\n12 12 48\ndirect\n0.375000 0.125000 0.250000 Mn\n0.750000 0.125000 0.375000 Mn\n0.250000 0.375000 0.125000 Mn\n0.375000 0.750000 0.125000 Mn\n0.125000 0.375000 0.750000 Mn\n0.125000 0.250000 0.375000 Mn\n0.625000 0.250000 0.875000 Mn\n0.250000 0.875000 0.625000 Mn\n0.625000 0.875000 0.750000 Mn\n0.875000 0.625000 0.250000 Mn\n0.875000 0.750000 0.625000 Mn\n0.750000 0.625000 0.875000 Mn\n0.625000 0.375000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.375000 0.250000 0.625000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.589934 0.896923 0.366976 O\n0.366976 0.589934 0.896923 O\n0.277042 0.306989 0.910066 O\n0.470053 0.603077 0.193011 O\n0.306989 0.896923 0.029947 O\n0.133024 0.029947 0.222958 O\n0.366976 0.277042 0.470053 O\n0.896923 0.366976 0.589934 O\n0.193011 0.222958 0.589934 O\n0.470053 0.366976 0.277042 O\n0.896923 0.029947 0.306989 O\n0.603077 0.910066 0.133024 O\n0.910066 0.133024 0.603077 O\n0.277042 0.470053 0.366976 O\n0.589934 0.193011 0.222958 O\n0.222958 0.589934 0.193011 O\n0.029947 0.306989 0.896923 O\n0.910066 0.277042 0.306989 O\n0.029947 0.222958 0.133024 O\n0.806989 0.777042 0.410066 O\n0.193011 0.470053 0.603077 O\n0.603077 0.193011 0.470053 O\n0.222958 0.133024 0.029947 O\n0.133024 0.603077 0.910066 O\n0.410066 0.103077 0.633024 O\n0.633024 0.410066 0.103077 O\n0.722958 0.693011 0.089934 O\n0.529947 0.396923 0.806989 O\n0.693011 0.103077 0.970053 O\n0.866976 0.970053 0.777042 O\n0.633024 0.722958 0.529947 O\n0.103077 0.633024 0.410066 O\n0.866976 0.396923 0.089934 O\n0.777042 0.866976 0.970053 O\n0.396923 0.806989 0.529947 O\n0.693011 0.089934 0.722958 O\n0.806989 0.529947 0.396923 O\n0.970053 0.777042 0.866976 O\n0.089934 0.722958 0.693011 O\n0.970053 0.693011 0.103077 O\n0.777042 0.410066 0.806989 O\n0.410066 0.806989 0.777042 O\n0.722958 0.529947 0.633024 O\n0.089934 0.866976 0.396923 O\n0.396923 0.089934 0.866976 O\n0.103077 0.970053 0.693011 O\n0.529947 0.633024 0.722958 O\n0.306989 0.910066 0.277042 O\n",
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{
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"structure_string": "Fe3 Pd1\n1.0\n1.498045 -2.101420 0.000000\n1.498045 2.101420 0.000000\n0.000000 0.000000 8.226071\nFe Pd\n3 1\ndirect\n0.500000 0.500000 0.736938 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.263062 Fe\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "mp-7433",
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"structure_string": "Na2 Cu2 Se2\n1.0\n4.087632 0.000000 0.000000\n0.000000 4.087632 0.000000\n0.000000 0.000000 6.874937\nNa Cu Se\n2 2 2\ndirect\n0.500000 0.000000 0.162042 Na\n0.000000 0.500000 0.837958 Na\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.723080 Se\n0.000000 0.500000 0.276920 Se\n",
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{
"id": "mp-774361",
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"structure_string": "Li8 Mn12 F32\n1.0\n8.841973 0.000000 0.000000\n0.000000 8.841973 0.000000\n0.000000 0.000000 8.841973\nLi Mn F\n8 12 32\ndirect\n0.985716 0.985716 0.985716 Li\n0.014284 0.485716 0.514284 Li\n0.264284 0.264284 0.264284 Li\n0.235716 0.735716 0.764284 Li\n0.514284 0.014284 0.485716 Li\n0.485716 0.514284 0.014284 Li\n0.764284 0.235716 0.735716 Li\n0.735716 0.764284 0.235716 Li\n0.149991 0.100009 0.625000 Mn\n0.100009 0.625000 0.149991 Mn\n0.125000 0.350009 0.899991 Mn\n0.399991 0.375000 0.649991 Mn\n0.375000 0.649991 0.399991 Mn\n0.350009 0.899991 0.125000 Mn\n0.625000 0.149991 0.100009 Mn\n0.649991 0.399991 0.375000 Mn\n0.600009 0.875000 0.850009 Mn\n0.899991 0.125000 0.350009 Mn\n0.850009 0.600009 0.875000 Mn\n0.875000 0.850009 0.600009 Mn\n0.132696 0.141253 0.385676 F\n0.141253 0.385676 0.132696 F\n0.108747 0.117304 0.864324 F\n0.117304 0.864324 0.108747 F\n0.147088 0.352912 0.647088 F\n0.135676 0.608747 0.382696 F\n0.102912 0.602912 0.897088 F\n0.114324 0.867304 0.641253 F\n0.385676 0.132696 0.141253 F\n0.382696 0.135676 0.608747 F\n0.397088 0.397088 0.397088 F\n0.364324 0.391253 0.882696 F\n0.352912 0.647088 0.147088 F\n0.391253 0.882696 0.364324 F\n0.358747 0.614324 0.632696 F\n0.367304 0.858747 0.885676 F\n0.647088 0.147088 0.352912 F\n0.608747 0.382696 0.135676 F\n0.632696 0.358747 0.614324 F\n0.614324 0.632696 0.358747 F\n0.641253 0.114324 0.867304 F\n0.617304 0.635676 0.891253 F\n0.602912 0.897088 0.102912 F\n0.635676 0.891253 0.617304 F\n0.864324 0.108747 0.117304 F\n0.897088 0.102912 0.602912 F\n0.882696 0.364324 0.391253 F\n0.867304 0.641253 0.114324 F\n0.891253 0.617304 0.635676 F\n0.885676 0.367304 0.858747 F\n0.858747 0.885676 0.367304 F\n0.852912 0.852912 0.852912 F\n",
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