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{
"id": "mp-1185945",
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{
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{
"id": "mp-1222971",
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"structure_string": "Li2 Fe2 P2 O9 F1\n1.0\n-4.823590 0.014123 -2.036495\n-0.003549 4.977541 2.018126\n4.750372 0.073951 -5.546641\nLi Fe P O F\n2 2 2 9 1\ndirect\n0.740149 0.387381 0.298544 Li\n0.262398 0.616513 0.703198 Li\n0.008142 0.007886 0.499051 Fe\n0.990595 0.997407 0.005255 Fe\n0.318777 0.634847 0.256001 P\n0.679559 0.364729 0.742517 P\n0.631235 0.759961 0.391760 O\n0.374334 0.244777 0.592838 O\n0.139964 0.667858 0.393437 O\n0.877214 0.341226 0.618942 O\n0.308889 0.333490 0.163552 O\n0.683156 0.662197 0.839894 O\n0.234888 0.762477 0.090532 O\n0.749687 0.223711 0.901138 O\n0.887757 0.066183 0.241099 O\n0.113255 0.929357 0.762238 F\n",
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{
"id": "mp-510076",
"created_at": "2022-09-04T14:43:17.677539Z",
"structure_string": "Rb7 Au5 O2\n1.0\n-2.904943 4.739690 8.495367\n2.904943 -4.739690 8.495367\n2.904943 4.739690 -8.495367\nRb Au O\n7 5 2\ndirect\n0.611921 0.833901 0.778020 Rb\n0.788857 0.500000 0.288857 Rb\n0.055881 0.833901 0.221980 Rb\n0.388079 0.166099 0.221980 Rb\n0.944119 0.166099 0.778020 Rb\n0.211143 0.500000 0.711143 Rb\n0.500000 0.000000 0.500000 Rb\n0.651762 0.651762 0.000000 Au\n0.807090 0.307090 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.348238 0.348238 0.000000 Au\n0.192910 0.692910 0.500000 Au\n0.784632 0.000000 0.784632 O\n0.215368 0.000000 0.215368 O\n",
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"spacegroup": 71
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{
"id": "mp-1147625",
"created_at": "2022-09-04T14:43:17.681847Z",
"structure_string": "In2 S4\n1.0\n3.652549 0.000000 0.000000\n0.000000 3.652549 0.000000\n0.000000 0.000000 9.121977\nIn S\n2 4\ndirect\n0.000000 0.500000 0.709097 In\n0.500000 0.000000 0.290903 In\n0.000000 0.500000 0.363827 S\n0.500000 0.000000 0.636173 S\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n",
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{
"id": "mp-1198378",
"created_at": "2022-09-04T14:43:17.684293Z",
"structure_string": "Na8 Li8 Fe8 P8 O32 F8\n1.0\n6.423274 0.000000 0.000000\n0.000000 11.163425 0.000000\n0.000000 0.000000 11.562395\nNa Li Fe P O F\n8 8 8 8 32 8\ndirect\n0.005373 0.222732 0.657134 Na\n0.494627 0.722732 0.842866 Na\n0.505373 0.777268 0.342866 Na\n0.994627 0.277268 0.157134 Na\n0.994627 0.777268 0.342866 Na\n0.505373 0.277268 0.157134 Na\n0.494627 0.222732 0.657134 Na\n0.005373 0.722732 0.842866 Na\n0.250000 0.269501 0.413682 Li\n0.250000 0.769501 0.086318 Li\n0.750000 0.730499 0.586318 Li\n0.750000 0.230499 0.913682 Li\n0.250000 0.444260 0.769396 Li\n0.250000 0.944260 0.730604 Li\n0.750000 0.555740 0.230604 Li\n0.750000 0.055740 0.269396 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.250000 0.041925 0.258805 P\n0.250000 0.541925 0.241195 P\n0.750000 0.958075 0.741195 P\n0.750000 0.458075 0.758805 P\n0.250000 0.246106 0.923083 P\n0.250000 0.746106 0.576917 P\n0.750000 0.753894 0.076917 P\n0.750000 0.253894 0.423083 P\n0.050512 0.180661 0.966189 O\n0.449488 0.680661 0.533811 O\n0.550512 0.819339 0.033811 O\n0.949488 0.319339 0.466189 O\n0.949488 0.819339 0.033811 O\n0.550512 0.319339 0.466189 O\n0.449488 0.180661 0.966189 O\n0.050512 0.680661 0.533811 O\n0.250000 0.263552 0.791895 O\n0.250000 0.763552 0.708105 O\n0.750000 0.736448 0.208105 O\n0.750000 0.236448 0.291895 O\n0.250000 0.180272 0.262143 O\n0.250000 0.680272 0.237857 O\n0.750000 0.819728 0.737857 O\n0.750000 0.319728 0.762143 O\n0.250000 0.373215 0.982709 O\n0.250000 0.873215 0.517291 O\n0.750000 0.626785 0.017291 O\n0.750000 0.126785 0.482709 O\n0.250000 0.493232 0.367815 O\n0.250000 0.993232 0.132185 O\n0.750000 0.506768 0.632185 O\n0.750000 0.006768 0.867815 O\n0.549315 0.006880 0.679097 O\n0.950685 0.506880 0.820903 O\n0.049315 0.993120 0.320903 O\n0.450685 0.493120 0.179097 O\n0.450685 0.993120 0.320903 O\n0.049315 0.493120 0.179097 O\n0.950685 0.006880 0.679097 O\n0.549315 0.506880 0.820903 O\n0.250000 0.130400 0.530427 F\n0.250000 0.630400 0.969573 F\n0.750000 0.869600 0.469573 F\n0.750000 0.369600 0.030427 F\n0.250000 0.437551 0.607057 F\n0.250000 0.937551 0.892943 F\n0.750000 0.562449 0.392943 F\n0.750000 0.062449 0.107057 F\n",
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{
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"structure_string": "Li4 S2 O8\n1.0\n5.390823 0.000000 0.000000\n-0.030169 5.400631 0.000000\n-0.070266 -0.175240 5.669974\nLi S O\n4 2 8\ndirect\n0.489831 0.986153 0.619903 Li\n0.016964 0.518308 0.382584 Li\n0.494745 0.986737 0.119928 Li\n0.005401 0.508324 0.884089 Li\n0.992516 0.012206 0.000734 S\n0.505056 0.490157 0.498187 S\n0.030328 0.245321 0.143600 O\n0.956703 0.793257 0.150328 O\n0.764325 0.040859 0.853962 O\n0.528495 0.249244 0.366778 O\n0.290938 0.470392 0.658681 O\n0.217126 0.967885 0.855694 O\n0.744434 0.543604 0.626766 O\n0.453390 0.701786 0.342191 O\n",
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{
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{
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{
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"updated_at": "2021-11-28T01:36:11.428000Z",
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},
{
"id": "mp-1048861",
"created_at": "2022-09-04T14:43:17.696616Z",
"structure_string": "Mg2 Mo4 O8\n1.0\n5.450695 -3.198387 0.000000\n5.450695 3.198387 0.000000\n3.573929 0.000000 5.212177\nMg Mo O\n2 4 8\ndirect\n0.003487 0.003487 0.003487 Mg\n0.628776 0.628776 0.628776 Mg\n0.234193 0.234193 0.234193 Mo\n0.624760 0.122113 0.624760 Mo\n0.624760 0.624760 0.122113 Mo\n0.122113 0.624760 0.624760 Mo\n0.846210 0.388310 0.388310 O\n0.388310 0.388310 0.846210 O\n0.388310 0.846210 0.388310 O\n0.387034 0.387034 0.387034 O\n0.869044 0.869044 0.869044 O\n0.866825 0.399348 0.866825 O\n0.866825 0.866825 0.399348 O\n0.399348 0.866825 0.866825 O\n",
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"elements": [
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],
"chemical_system": "Mg-Mo-O",
"density": 5.12021514952109,
"density_atomic": 0.07703640216697744,
"volume": 181.73226690486936,
"volume_molar": 7.8172663709643775,
"formula_full": "Mg2 Mo4 O8",
"formula_reduced": "Mg(MoO2)2",
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"updated_at": "2021-11-28T01:36:09.405000Z",
"spacegroup": 160
},
{
"id": "mp-972879",
"created_at": "2022-09-04T14:43:17.697268Z",
"structure_string": "Sc2 Ru1 Au1\n1.0\n0.000000 3.308279 3.308279\n3.308279 0.000000 3.308279\n3.308279 3.308279 0.000000\nSc Ru Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Au\n",
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"formula_full": "Sc2 Ru1 Au1",
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"updated_at": "2021-11-28T01:36:12.061000Z",
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}
]
}