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{
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{
"id": "mp-677732",
"created_at": "2022-09-04T14:45:55.063001Z",
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{
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"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.148354 0.000000 0.000000\n-2.436053 5.616151 0.000000\n-0.186108 -2.270901 5.803438\nCu Bi W O\n1 1 2 8\ndirect\n0.855553 0.898024 0.784611 Cu\n0.363432 0.902013 0.290049 Bi\n0.112519 0.417531 0.625545 W\n0.610032 0.385329 0.952379 W\n0.330352 0.211105 0.625751 O\n0.824457 0.197700 0.809612 O\n0.354757 0.649721 0.515368 O\n0.865241 0.630909 0.211397 O\n0.863183 0.174091 0.363342 O\n0.390209 0.590561 0.954401 O\n0.895054 0.603239 0.764520 O\n0.374009 0.155576 0.067125 O\n",
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"formula_full": "Cu1 Bi1 W2 O8",
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"updated_at": "2021-11-28T01:34:28.876000Z",
"spacegroup": 1
},
{
"id": "mp-777890",
"created_at": "2022-09-04T14:41:13.178328Z",
"structure_string": "Ti3 Ni1 Sn2 P6 O24\n1.0\n7.934517 -4.308982 0.000000\n7.934517 4.308982 0.000000\n5.594447 0.000000 7.087034\nTi Ni Sn P O\n3 1 2 6 24\ndirect\n0.855598 0.855598 0.855598 Ti\n0.647964 0.647964 0.647964 Ti\n0.348025 0.348025 0.348025 Ti\n0.150279 0.150279 0.150279 Ni\n0.014100 0.014100 0.014100 Sn\n0.496576 0.496576 0.496576 Sn\n0.535418 0.958005 0.249836 P\n0.249836 0.535418 0.958005 P\n0.038061 0.747097 0.465994 P\n0.747097 0.465994 0.038061 P\n0.465994 0.038061 0.747097 P\n0.958005 0.249836 0.535418 P\n0.503749 0.875161 0.703479 O\n0.875161 0.703479 0.503749 O\n0.717611 0.936731 0.073760 O\n0.703479 0.503749 0.875161 O\n0.370647 0.973906 0.232647 O\n0.577535 0.778134 0.421868 O\n0.073760 0.717611 0.936731 O\n0.421868 0.577535 0.778134 O\n0.006008 0.783469 0.630696 O\n0.778134 0.421868 0.577535 O\n0.057745 0.919002 0.281499 O\n0.783469 0.630696 0.006008 O\n0.232647 0.370647 0.973906 O\n0.936731 0.073760 0.717611 O\n0.222318 0.571069 0.441972 O\n0.973906 0.232647 0.370647 O\n0.571069 0.441972 0.222318 O\n0.919002 0.281499 0.057745 O\n0.441972 0.222318 0.571069 O\n0.630696 0.006008 0.783469 O\n0.279730 0.502944 0.131364 O\n0.281499 0.057745 0.919002 O\n0.131364 0.279730 0.502944 O\n0.502944 0.131364 0.279730 O\n",
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"formula_full": "Ti3 Ni1 Sn2 P6 O24",
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"spacegroup": 146
},
{
"id": "mp-21436",
"created_at": "2022-09-04T14:41:59.650061Z",
"structure_string": "Gd2 Cu2 Sn2\n1.0\n2.282937 -3.954163 0.000000\n2.282937 3.954163 0.000000\n0.000000 0.000000 7.326796\nGd Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.499683 Gd\n0.000000 0.000000 0.999683 Gd\n0.666667 0.333333 0.312537 Cu\n0.333333 0.666667 0.812537 Cu\n0.333333 0.666667 0.230980 Sn\n0.666667 0.333333 0.730980 Sn\n",
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],
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"density": 8.523813853102165,
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"volume": 132.27951385632923,
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"formula_full": "Gd2 Cu2 Sn2",
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"updated_at": "2021-11-28T01:35:35.994000Z",
"spacegroup": 186
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{
"id": "mp-1080698",
"created_at": "2022-09-04T14:39:07.014878Z",
"structure_string": "Fe6 B2\n1.0\n2.366513 -4.098922 0.000000\n2.366513 4.098922 0.000000\n0.000000 0.000000 4.356557\nFe B\n6 2\ndirect\n0.306259 0.306259 0.000000 Fe\n0.693741 0.000000 0.000000 Fe\n0.000000 0.693741 0.000000 Fe\n0.693741 0.693741 0.500000 Fe\n0.306259 0.000000 0.500000 Fe\n0.000000 0.306259 0.500000 Fe\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n",
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"spacegroup": 182
},
{
"id": "mp-1224783",
"created_at": "2022-09-04T14:41:10.313713Z",
"structure_string": "Gd3 Dy3 Ni6\n1.0\n4.237214 0.000000 0.000000\n0.000000 5.465012 0.000000\n0.000000 1.318423 10.606250\nGd Dy Ni\n3 3 6\ndirect\n0.000000 0.583194 0.212488 Gd\n0.500000 0.258122 0.453306 Gd\n0.000000 0.741562 0.547676 Gd\n0.500000 0.104387 0.118220 Dy\n0.000000 0.896077 0.880746 Dy\n0.500000 0.416325 0.787904 Dy\n0.500000 0.620669 0.023302 Ni\n0.000000 0.378591 0.974980 Ni\n0.500000 0.788792 0.358279 Ni\n0.000000 0.212001 0.642854 Ni\n0.500000 0.946471 0.692106 Ni\n0.000000 0.053807 0.308136 Ni\n",
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],
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"density": 8.866543371922246,
"density_atomic": 0.04885937057581348,
"volume": 245.6028364380993,
"volume_molar": 12.325457100712423,
"formula_full": "Gd3 Dy3 Ni6",
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"updated_at": "2021-11-28T01:35:22.167000Z",
"spacegroup": 6
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{
"id": "mp-1186245",
"created_at": "2022-09-04T14:40:56.197827Z",
"structure_string": "Nd2 Ho2 O5\n1.0\n3.856040 0.000000 0.000000\n0.000000 3.856040 0.000000\n0.000000 0.000000 11.068195\nNd Ho O\n2 2 5\ndirect\n0.500000 0.500000 0.225431 Nd\n0.500000 0.500000 0.774569 Nd\n0.000000 0.000000 0.000000 Ho\n0.000000 0.000000 0.500000 Ho\n0.500000 0.000000 0.125011 O\n0.500000 0.000000 0.874989 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.125011 O\n0.000000 0.500000 0.874989 O\n",
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"density": 7.046235811361005,
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"volume": 164.5734837860227,
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{
"id": "mp-776146",
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"structure_string": "Li8 V12 Fe4 O32\n1.0\n8.403199 -0.000096 -0.000125\n-0.000161 8.418804 -0.017848\n-0.000022 -0.017731 8.451214\nLi V Fe O\n8 12 4 32\ndirect\n0.124120 0.875432 0.373803 Li\n0.252199 0.749142 0.749849 Li\n0.249350 0.250278 0.249371 Li\n0.374598 0.127949 0.874386 Li\n0.625048 0.624509 0.625807 Li\n0.752257 0.750983 0.249589 Li\n0.749238 0.249659 0.750772 Li\n0.874869 0.371861 0.125961 Li\n0.114006 0.620817 0.123693 V\n0.113625 0.374519 0.881774 V\n0.124512 0.114400 0.619691 V\n0.376159 0.875881 0.127878 V\n0.372006 0.621975 0.375013 V\n0.380792 0.384807 0.625438 V\n0.613789 0.878883 0.876383 V\n0.613419 0.125447 0.118194 V\n0.624410 0.385849 0.380302 V\n0.876792 0.624104 0.871976 V\n0.872000 0.878206 0.625011 V\n0.880476 0.115311 0.374841 V\n0.999532 0.496505 0.499573 Fe\n0.500611 0.497922 0.997404 Fe\n0.499302 0.003424 0.500283 Fe\n0.000334 0.002310 0.002434 Fe\n0.104823 0.134824 0.393702 O\n0.116830 0.902124 0.630436 O\n0.118525 0.612897 0.888377 O\n0.133736 0.393030 0.104057 O\n0.122358 0.139900 0.866505 O\n0.132951 0.362865 0.634575 O\n0.129463 0.621098 0.360634 O\n0.138639 0.865776 0.121339 O\n0.359682 0.140290 0.620088 O\n0.362547 0.378267 0.857828 O\n0.363080 0.629288 0.130116 O\n0.378940 0.860408 0.366528 O\n0.369799 0.599825 0.611958 O\n0.387554 0.383198 0.386759 O\n0.398823 0.114629 0.128964 O\n0.400450 0.871263 0.887067 O\n0.605112 0.365375 0.606366 O\n0.617124 0.598079 0.369720 O\n0.617682 0.886753 0.111752 O\n0.633688 0.106762 0.896075 O\n0.622095 0.360048 0.133459 O\n0.632709 0.137234 0.365477 O\n0.629755 0.879084 0.639306 O\n0.638792 0.634125 0.878094 O\n0.859579 0.359785 0.380071 O\n0.862166 0.121567 0.142302 O\n0.862865 0.870561 0.870203 O\n0.879823 0.639807 0.633644 O\n0.869691 0.900273 0.387963 O\n0.887546 0.116953 0.613451 O\n0.899046 0.385288 0.871142 O\n0.900683 0.628530 0.112697 O\n",
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{
"id": "mp-1025349",
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"structure_string": "Sr2 Zr1 O4\n1.0\n-2.087583 2.087583 6.423165\n2.087583 -2.087583 6.423165\n2.087583 2.087583 -6.423165\nSr Zr O\n2 1 4\ndirect\n0.352540 0.352540 0.000000 Sr\n0.647460 0.647460 0.000000 Sr\n0.000000 0.000000 0.000000 Zr\n0.166072 0.166072 0.000000 O\n0.833928 0.833928 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-541360",
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"structure_string": "V12 Cd4 O28\n1.0\n5.377135 0.000000 0.000000\n0.000000 10.462940 0.000000\n0.000000 0.000000 10.653752\nV Cd O\n12 4 28\ndirect\n0.783772 0.976432 0.813927 V\n0.283772 0.023568 0.686073 V\n0.716228 0.523568 0.313927 V\n0.216228 0.476432 0.186073 V\n0.216228 0.023568 0.186073 V\n0.716228 0.976432 0.313927 V\n0.283772 0.476432 0.686073 V\n0.783772 0.523568 0.813927 V\n0.292451 0.750000 0.785671 V\n0.792451 0.250000 0.714329 V\n0.207549 0.750000 0.285671 V\n0.707549 0.250000 0.214329 V\n0.812394 0.750000 0.578366 Cd\n0.312394 0.250000 0.921634 Cd\n0.687606 0.750000 0.078366 Cd\n0.187606 0.250000 0.421634 Cd\n0.524458 0.881694 0.719561 O\n0.024458 0.118306 0.780439 O\n0.975542 0.618306 0.219561 O\n0.475542 0.381694 0.280439 O\n0.475542 0.118306 0.280439 O\n0.975542 0.881694 0.219561 O\n0.024458 0.381694 0.780439 O\n0.524458 0.618306 0.719561 O\n0.048429 0.880784 0.722846 O\n0.548429 0.119216 0.777154 O\n0.451571 0.619216 0.222846 O\n0.951571 0.380784 0.277154 O\n0.951571 0.119216 0.277154 O\n0.451571 0.880784 0.222846 O\n0.548429 0.380784 0.777154 O\n0.048429 0.619216 0.722846 O\n0.769008 0.922983 0.960942 O\n0.269008 0.077017 0.539058 O\n0.730992 0.577017 0.460942 O\n0.230992 0.422983 0.039058 O\n0.230992 0.077017 0.039058 O\n0.730992 0.922983 0.460942 O\n0.269008 0.422983 0.539058 O\n0.769008 0.577017 0.960942 O\n0.310154 0.750000 0.940988 O\n0.810154 0.250000 0.559012 O\n0.189846 0.750000 0.440988 O\n0.689846 0.250000 0.059012 O\n",
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