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{
"id": "mp-1211522",
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{
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{
"id": "mp-1094726",
"created_at": "2022-09-04T14:47:25.633390Z",
"structure_string": "Mg1 Ti1\n1.0\n3.355945 0.000000 0.000000\n0.000000 3.355945 0.000000\n0.000000 0.000000 3.355945\nMg Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ti\n",
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"updated_at": "2021-11-28T01:38:05.603000Z",
"spacegroup": 221
},
{
"id": "mp-1226096",
"created_at": "2022-09-04T14:47:25.636264Z",
"structure_string": "Co7 Ge4\n1.0\n1.994904 -3.455275 0.000000\n1.994904 3.455275 0.000000\n0.000000 0.000000 9.914808\nCo Ge\n7 4\ndirect\n0.000000 0.000000 0.880030 Co\n0.000000 0.000000 0.374300 Co\n0.000000 0.000000 0.119970 Co\n0.000000 0.000000 0.625700 Co\n0.666667 0.333333 0.500000 Co\n0.333333 0.666667 0.756379 Co\n0.333333 0.666667 0.243621 Co\n0.666667 0.333333 0.750666 Ge\n0.666667 0.333333 0.249334 Ge\n0.333333 0.666667 0.000000 Ge\n0.333333 0.666667 0.500000 Ge\n",
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"formula_full": "Co7 Ge4",
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{
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},
{
"id": "mp-1227786",
"created_at": "2022-09-04T14:47:25.647074Z",
"structure_string": "Ca2 Ti1 Si2 Sn1 O10\n1.0\n5.564105 0.000000 0.000000\n-1.503810 5.363121 0.000000\n-1.775494 -2.323261 6.604485\nCa Ti Si Sn O\n2 1 2 1 10\ndirect\n0.172825 0.837957 0.755256 Ca\n0.827175 0.162043 0.244744 Ca\n0.500000 0.500000 0.000000 Ti\n0.176144 0.814519 0.246484 Si\n0.823856 0.185481 0.753516 Si\n0.500000 0.500000 0.500000 Sn\n0.237810 0.109160 0.406558 O\n0.121437 0.251352 0.912845 O\n0.762190 0.890840 0.593442 O\n0.878563 0.748648 0.087155 O\n0.577254 0.421714 0.240852 O\n0.422746 0.578286 0.759148 O\n0.610389 0.189354 0.878286 O\n0.173456 0.607172 0.376747 O\n0.389611 0.810646 0.121714 O\n0.826544 0.392828 0.623253 O\n",
"nsites": 16,
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"elements": [
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"Ti",
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],
"chemical_system": "Ca-O-Si-Sn-Ti",
"density": 3.900160965011604,
"density_atomic": 0.08118356381258603,
"volume": 197.08422799640007,
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"formula_full": "Ca2 Ti1 Si2 Sn1 O10",
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{
"id": "mp-769483",
"created_at": "2022-09-04T14:47:25.469898Z",
"structure_string": "Li22 Co4 O16\n1.0\n4.600749 -4.708740 0.000000\n4.600749 4.708740 0.000000\n0.000000 0.000000 9.336112\nLi Co O\n22 4 16\ndirect\n0.289816 0.287273 0.748641 Li\n0.287273 0.289816 0.251359 Li\n0.273163 0.726837 0.750000 Li\n0.521465 0.020987 0.725718 Li\n0.495694 0.002055 0.470478 Li\n0.478535 0.979013 0.225718 Li\n0.504306 0.997945 0.970478 Li\n0.726837 0.273163 0.250000 Li\n0.712727 0.710184 0.751359 Li\n0.710184 0.712727 0.248641 Li\n0.785270 0.785270 0.500000 Li\n0.777408 0.219799 0.519207 Li\n0.784611 0.784611 0.000000 Li\n0.780201 0.222592 0.980793 Li\n0.002055 0.495694 0.529522 Li\n0.979013 0.478535 0.774282 Li\n0.997945 0.504306 0.029522 Li\n0.020987 0.521465 0.274282 Li\n0.219799 0.777408 0.480793 Li\n0.222592 0.780201 0.019207 Li\n0.215389 0.215389 0.500000 Li\n0.214730 0.214730 0.000000 Li\n0.500226 0.500225 0.500000 Co\n0.499775 0.499774 0.000000 Co\n0.996383 0.003617 0.750000 Co\n0.003617 0.996383 0.250000 Co\n0.266510 0.000462 0.856465 O\n0.259270 0.016767 0.359002 O\n0.497126 0.243937 0.101269 O\n0.502874 0.756063 0.601269 O\n0.506805 0.753666 0.094180 O\n0.493195 0.246334 0.594180 O\n0.733490 0.999538 0.356465 O\n0.740730 0.983233 0.859002 O\n0.756063 0.502874 0.398731 O\n0.753666 0.506805 0.905820 O\n0.983233 0.740730 0.140998 O\n0.999538 0.733490 0.643535 O\n0.016767 0.259270 0.640998 O\n0.000462 0.266510 0.143535 O\n0.246334 0.493195 0.405820 O\n0.243937 0.497126 0.898731 O\n",
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"density": 2.645405785279604,
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"formula_full": "Li22 Co4 O16",
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{
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"structure_string": "Na8 Co2 O8\n1.0\n5.803598 0.000000 0.000000\n-1.980431 -5.468823 0.000000\n-2.361226 0.690527 -7.719955\nNa Co O\n8 2 8\ndirect\n0.456916 0.229208 0.428838 Na\n0.266310 0.741035 0.161789 Na\n0.920285 0.716868 0.377100 Na\n0.288136 0.243008 0.015144 Na\n0.733690 0.258965 0.838211 Na\n0.543084 0.770792 0.571162 Na\n0.079715 0.283132 0.622900 Na\n0.711864 0.756992 0.984856 Na\n0.090318 0.779125 0.750108 Co\n0.909682 0.220875 0.249892 Co\n0.672091 0.998367 0.326892 O\n0.734131 0.396220 0.118272 O\n0.265869 0.603780 0.881728 O\n0.929483 0.974657 0.794541 O\n0.327909 0.001633 0.673108 O\n0.807726 0.527413 0.628988 O\n0.070517 0.025343 0.205459 O\n0.192274 0.472587 0.371012 O\n",
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{
"id": "mp-1206034",
"created_at": "2022-09-04T14:47:25.472608Z",
"structure_string": "Lu6 Mn1 Bi2\n1.0\n4.066001 -7.042521 0.000000\n4.066001 7.042521 0.000000\n0.000000 0.000000 4.214300\nLu Mn Bi\n6 1 2\ndirect\n0.230717 0.000000 0.500000 Lu\n0.000000 0.230717 0.500000 Lu\n0.769283 0.769283 0.500000 Lu\n0.612345 0.000000 0.000000 Lu\n0.000000 0.612345 0.000000 Lu\n0.387655 0.387655 0.000000 Lu\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.500000 Bi\n0.666667 0.333333 0.500000 Bi\n",
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{
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"created_at": "2022-09-04T14:47:25.326355Z",
"structure_string": "Li1 Cu3\n1.0\n3.608635 0.000000 0.000000\n0.000000 3.608635 0.000000\n0.000000 0.000000 3.608635\nLi Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n",
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{
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{
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"structure_string": "Ba4 Bi1 Pb3 O12\n1.0\n3.081620 5.350200 0.000000\n-3.081620 5.350200 0.000000\n0.000000 3.481949 10.122532\nBa Bi Pb O\n4 1 3 12\ndirect\n0.377457 0.377457 0.371138 Ba\n0.877146 0.877146 0.874182 Ba\n0.622543 0.622543 0.628862 Ba\n0.122854 0.122854 0.125818 Ba\n0.000000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Pb\n0.249011 0.249011 0.751665 Pb\n0.750989 0.750989 0.248335 Pb\n0.357741 0.859369 0.361107 O\n0.856088 0.357422 0.856612 O\n0.140631 0.642259 0.638893 O\n0.642578 0.143912 0.143388 O\n0.859369 0.357741 0.361107 O\n0.357422 0.856088 0.856612 O\n0.642259 0.140631 0.638893 O\n0.143912 0.642578 0.143388 O\n0.154283 0.154283 0.593704 O\n0.656069 0.656069 0.093797 O\n0.845717 0.845717 0.406296 O\n0.343931 0.343931 0.906203 O\n",
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"is_magnetic": false,
"total_magnetization": 0.0017191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.191000Z",
"spacegroup": 12
}
]
}