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{
"id": "mp-1400697",
"created_at": "2022-09-04T14:41:35.459111Z",
"structure_string": "Bi2 Pd3 Pt1 O8\n1.0\n5.828031 0.000000 0.000000\n-2.306393 5.745016 0.000000\n-0.626477 -3.212531 5.634102\nBi Pd Pt O\n2 3 1 8\ndirect\n0.217456 0.593224 0.644805 Bi\n0.782544 0.406776 0.355195 Bi\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pt\n0.419423 0.172262 0.226395 O\n0.580577 0.827738 0.773605 O\n0.883386 0.653809 0.991216 O\n0.116614 0.346191 0.008784 O\n0.275236 0.621465 0.241981 O\n0.724764 0.378535 0.758019 O\n0.195895 0.217912 0.642968 O\n0.804105 0.782088 0.357032 O\n",
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{
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"volume": 699.2906038820976,
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"formula_full": "P8 W4 O32",
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{
"id": "mp-1175889",
"created_at": "2022-09-04T14:41:35.430107Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.984468 0.000000 0.000000\n0.106515 5.950571 0.000000\n1.870153 0.174269 9.660096\nLi Mn Co O\n9 2 5 16\ndirect\n0.250547 0.001068 0.255379 Li\n0.246428 0.253092 0.752518 Li\n0.249285 0.500237 0.255859 Li\n0.754777 0.253159 0.249071 Li\n0.751833 0.491185 0.745337 Li\n0.755781 0.754343 0.251535 Li\n0.243686 0.745473 0.748530 Li\n0.748058 0.003218 0.741831 Li\n0.000418 0.248829 0.499383 Li\n0.000200 0.999631 0.999241 Mn\n0.500880 0.499552 0.499693 Mn\n0.999746 0.500309 0.001080 Co\n0.000047 0.744945 0.499580 Co\n0.499995 0.747988 0.999617 Co\n0.497875 0.011740 0.500475 Co\n0.500493 0.252459 0.000401 Co\n0.140921 0.767933 0.115997 O\n0.129172 0.969939 0.605652 O\n0.139667 0.273772 0.118055 O\n0.638379 0.998314 0.116053 O\n0.600227 0.261327 0.615855 O\n0.644960 0.496870 0.112815 O\n0.135243 0.517674 0.608400 O\n0.635590 0.735792 0.611002 O\n0.401354 0.269179 0.385219 O\n0.355040 0.502803 0.887410 O\n0.363249 0.741621 0.389199 O\n0.866528 0.522927 0.392725 O\n0.859983 0.724128 0.884506 O\n0.866756 0.975368 0.393098 O\n0.362485 0.002953 0.883230 O\n0.860394 0.232170 0.881253 O\n",
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"elements": [
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"density": 4.190148153094747,
"density_atomic": 0.11168403147580704,
"volume": 286.52260826501265,
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-16358",
"created_at": "2022-09-04T14:41:35.435357Z",
"structure_string": "Zn1 Ni2 Ge1\n1.0\n0.000000 2.905437 2.905437\n2.905437 0.000000 2.905437\n2.905437 2.905437 0.000000\nZn Ni Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n0.500000 0.500000 0.500000 Ge\n",
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"volume": 49.052865702306576,
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"formula_full": "Zn1 Ni2 Ge1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:30.240000Z",
"spacegroup": 225
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{
"id": "mp-1205528",
"created_at": "2022-09-04T14:41:35.471257Z",
"structure_string": "Sm2 Si2 Os4 C2\n1.0\n1.966327 -5.560592 0.000000\n1.966327 5.560592 0.000000\n0.000000 0.000000 7.182781\nSm Si Os C\n2 2 4 2\ndirect\n0.547470 0.452530 0.250000 Sm\n0.452530 0.547470 0.750000 Sm\n0.268555 0.731445 0.250000 Si\n0.731445 0.268555 0.750000 Si\n0.834153 0.165847 0.059675 Os\n0.165847 0.834153 0.940325 Os\n0.165847 0.834153 0.559675 Os\n0.834153 0.165847 0.440325 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"elements": [
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],
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"density": 12.071245029459226,
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"volume": 157.07222437142246,
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"formula_full": "Sm2 Si2 Os4 C2",
"formula_reduced": "SmSiOs2C",
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{
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"created_at": "2022-09-04T14:41:35.480784Z",
"structure_string": "Fe18 O18 F18\n1.0\n3.103013 0.000000 0.000000\n0.000000 14.223116 0.000000\n0.000000 0.057751 14.263090\nFe O F\n18 18 18\ndirect\n0.000000 0.987847 0.996057 Fe\n0.000000 0.992070 0.326614 Fe\n0.000000 0.993921 0.670151 Fe\n0.500000 0.845757 0.163480 Fe\n0.500000 0.833808 0.520592 Fe\n0.500000 0.846757 0.829838 Fe\n0.000000 0.654695 0.995921 Fe\n0.000000 0.656571 0.334535 Fe\n0.000000 0.663420 0.655706 Fe\n0.500000 0.512953 0.499999 Fe\n0.500000 0.517486 0.167720 Fe\n0.500000 0.495651 0.847319 Fe\n0.000000 0.332616 0.997878 Fe\n0.000000 0.320118 0.331253 Fe\n0.000000 0.319699 0.666369 Fe\n0.500000 0.183607 0.159975 Fe\n0.500000 0.180117 0.499608 Fe\n0.500000 0.161820 0.813501 Fe\n0.500000 0.934974 0.270312 O\n0.500000 0.937637 0.600451 O\n0.500000 0.935948 0.935526 O\n0.000000 0.899311 0.102763 O\n0.000000 0.893586 0.768008 O\n0.000000 0.766531 0.567412 O\n0.500000 0.604274 0.270563 O\n0.500000 0.597168 0.607021 O\n0.500000 0.602324 0.932732 O\n0.000000 0.565278 0.101355 O\n0.000000 0.565925 0.436892 O\n0.000000 0.429243 0.902256 O\n0.500000 0.268802 0.265790 O\n0.500000 0.268777 0.602843 O\n0.000000 0.236000 0.095368 O\n0.000000 0.231180 0.433856 O\n0.000000 0.234253 0.771887 O\n0.500000 0.062622 0.729284 O\n0.000000 0.900615 0.435215 F\n0.000000 0.768521 0.231996 F\n0.000000 0.767472 0.902175 F\n0.500000 0.731969 0.066309 F\n0.500000 0.726147 0.737484 F\n0.500000 0.736890 0.396737 F\n0.000000 0.561781 0.771727 F\n0.000000 0.435670 0.232932 F\n0.000000 0.433119 0.564813 F\n0.500000 0.397941 0.067883 F\n0.500000 0.398739 0.398152 F\n0.500000 0.402986 0.731062 F\n0.500000 0.265541 0.936164 F\n0.000000 0.103177 0.230043 F\n0.000000 0.102564 0.559619 F\n0.000000 0.102836 0.902332 F\n0.500000 0.067725 0.067549 F\n0.500000 0.063564 0.396973 F\n",
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{
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"structure_string": "Sm4 Pb2 S8\n1.0\n-4.315165 4.315165 4.304143\n4.315165 -4.315165 4.304143\n4.315165 4.315165 -4.304143\nSm Pb S\n4 2 8\ndirect\n0.494217 0.875000 0.119217 Sm\n0.125000 0.244217 0.619217 Sm\n0.755783 0.375000 0.880783 Sm\n0.625000 0.505783 0.380783 Sm\n0.250000 0.750000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.013517 0.609876 0.746532 S\n0.390124 0.136656 0.403641 S\n0.859876 0.763517 0.246532 S\n0.386656 0.140124 0.903641 S\n0.236483 0.483015 0.096359 S\n0.733015 0.986483 0.596359 S\n0.863344 0.266985 0.253468 S\n0.516985 0.613344 0.753468 S\n",
"nsites": 14,
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{
"id": "mp-1101401",
"created_at": "2022-09-04T14:41:35.507254Z",
"structure_string": "Rb1 Pr1 O2\n1.0\n6.687130 -1.854136 0.000000\n6.687130 1.854136 0.000000\n6.173035 0.000000 3.170042\nRb Pr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pr\n0.227110 0.227110 0.227110 O\n0.772890 0.772890 0.772890 O\n",
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{
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"structure_string": "Rb1 Mg14 Nb1\n1.0\n6.503983 -0.105352 0.000000\n-3.343229 5.790642 0.000000\n0.000000 0.000000 10.368126\nRb Mg Nb\n1 14 1\ndirect\n0.160160 0.330080 0.125000 Rb\n0.171258 0.335628 0.625000 Mg\n0.166374 0.833186 0.625000 Mg\n0.663418 0.331868 0.125000 Mg\n0.667847 0.339010 0.625000 Mg\n0.663418 0.831550 0.125000 Mg\n0.667847 0.828836 0.625000 Mg\n0.331616 0.148995 0.380920 Mg\n0.331616 0.148995 0.869080 Mg\n0.331616 0.682622 0.380920 Mg\n0.331616 0.682622 0.869080 Mg\n0.817545 0.158773 0.390611 Mg\n0.817545 0.158773 0.859389 Mg\n0.843268 0.671635 0.365677 Mg\n0.843268 0.671635 0.884323 Mg\n0.191588 0.845793 0.125000 Nb\n",
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{
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},
{
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"elements": [
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],
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},
{
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"structure_string": "Co2 H16 I4 O20\n1.0\n6.605432 0.000000 0.000000\n0.000000 8.460117 0.000000\n0.000000 1.404594 8.412437\nCo H I O\n2 16 4 20\ndirect\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.217335 0.776630 0.943845 H\n0.717335 0.223370 0.556155 H\n0.782665 0.223370 0.056155 H\n0.282665 0.776630 0.443845 H\n0.109552 0.767481 0.776183 H\n0.609552 0.232519 0.723817 H\n0.004405 0.655858 0.239007 H\n0.504405 0.344142 0.260993 H\n0.995595 0.344142 0.760993 H\n0.495595 0.655858 0.739007 H\n0.119269 0.490500 0.308733 H\n0.619269 0.509500 0.191267 H\n0.880731 0.509500 0.691267 H\n0.380731 0.490500 0.808733 H\n0.890448 0.232519 0.223817 H\n0.390448 0.767481 0.276183 H\n0.178320 0.167163 0.530160 I\n0.678320 0.832837 0.969840 I\n0.821680 0.832837 0.469840 I\n0.321680 0.167163 0.030160 I\n0.782841 0.614603 0.524995 O\n0.717159 0.614603 0.024995 O\n0.407535 0.741863 0.393162 O\n0.907535 0.258137 0.106838 O\n0.592465 0.258137 0.606838 O\n0.217159 0.385397 0.475005 O\n0.418868 0.564298 0.709433 O\n0.918868 0.435702 0.790567 O\n0.581132 0.435702 0.290567 O\n0.081132 0.564298 0.209433 O\n0.385511 0.160584 0.239805 O\n0.885511 0.839416 0.260195 O\n0.614489 0.839416 0.760195 O\n0.114489 0.160584 0.739805 O\n0.422402 0.838296 0.056394 O\n0.922402 0.161704 0.443606 O\n0.577598 0.161704 0.943606 O\n0.077598 0.838296 0.556394 O\n0.282841 0.385397 0.975005 O\n0.092465 0.741863 0.893162 O\n",
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]
}