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{
"id": "mp-755748",
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"structure_string": "Ti2 V2 O8\n1.0\n-1.415167 2.262780 2.687894\n-8.216409 -5.138768 -0.000117\n1.415072 -2.262506 2.687615\nTi V O\n2 2 8\ndirect\n0.000005 0.749821 0.499998 Ti\n0.500003 0.250223 0.999997 Ti\n0.499994 0.499955 0.499994 V\n0.999986 0.999967 0.000002 V\n0.000006 0.960138 0.500002 O\n0.500003 0.460082 0.000004 O\n0.000001 0.539924 0.500002 O\n0.500008 0.039834 0.000003 O\n0.499999 0.294752 0.499997 O\n0.999994 0.794519 0.999997 O\n0.000000 0.205491 0.000004 O\n0.500001 0.705294 0.499999 O\n",
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{
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"formula_full": "Li9 Co7 O16",
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"spacegroup": 2
},
{
"id": "mp-578601",
"created_at": "2022-09-04T14:47:16.731541Z",
"structure_string": "Na1 Nb1 O2\n1.0\n5.974872 -1.491266 0.000000\n5.974872 1.491266 0.000000\n5.602668 0.000000 2.555990\nNa Nb O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nb\n0.256638 0.256638 0.256638 O\n0.743362 0.743362 0.743362 O\n",
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"formula_full": "Na1 Nb1 O2",
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"updated_at": "2021-11-28T01:38:04.579000Z",
"spacegroup": 166
},
{
"id": "mp-732264",
"created_at": "2022-09-04T14:47:16.734859Z",
"structure_string": "Al2 Si4 O12\n1.0\n-5.257376 0.000000 0.000000\n2.612582 4.567581 0.000000\n1.810117 -0.320626 -9.450350\nAl Si O\n2 4 12\ndirect\n0.313730 0.685878 0.999926 Al\n0.686270 0.314122 0.000074 Al\n0.256574 0.002434 0.710430 Si\n0.743426 0.997566 0.289570 Si\n0.911445 0.346318 0.709840 Si\n0.088555 0.653682 0.290160 Si\n0.356904 0.993438 0.883041 O\n0.643096 0.006562 0.116959 O\n0.956845 0.393514 0.882558 O\n0.043155 0.606486 0.117442 O\n0.554974 0.576580 0.929812 O\n0.445026 0.423420 0.070188 O\n0.555863 0.212472 0.644774 O\n0.444137 0.787528 0.355226 O\n0.102557 0.667400 0.645125 O\n0.897443 0.332600 0.354875 O\n0.019283 0.121214 0.671217 O\n0.980717 0.878786 0.328783 O\n",
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"density_atomic": 0.07931755454694032,
"volume": 226.9358920962138,
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"formula_full": "Al2 Si4 O12",
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},
{
"id": "mp-1211838",
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"structure_string": "K3 Rh1 F6\n1.0\n0.738590 1.299114 -6.561302\n-3.992271 -6.918195 1.217974\n-2.548610 6.111455 -0.559002\nK Rh F\n3 1 6\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Rh\n0.777024 0.053578 0.277169 F\n0.222976 0.946422 0.722831 F\n0.778607 0.778625 0.715223 F\n0.221393 0.221375 0.284777 F\n0.061690 0.770712 0.997643 F\n0.938310 0.229288 0.002357 F\n",
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"elements": [
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"F"
],
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"density_atomic": 0.03756564879710305,
"volume": 266.20064660699194,
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"formula_full": "K3 Rh1 F6",
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{
"id": "mp-979115",
"created_at": "2022-09-04T14:47:16.741228Z",
"structure_string": "Ti2 Ag1\n1.0\n-1.465597 1.465597 6.082916\n1.465597 -1.465597 6.082916\n1.465597 1.465597 -6.082916\nTi Ag\n2 1\ndirect\n0.327416 0.327416 0.000000 Ti\n0.672584 0.672584 0.000000 Ti\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 3,
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"density": 6.4689026956697155,
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"volume": 52.26379543040948,
"volume_molar": 10.49133109112569,
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{
"id": "mp-1869",
"created_at": "2022-09-04T14:47:16.742318Z",
"structure_string": "Ga4 Pd8\n1.0\n4.102565 0.000000 0.000000\n0.000000 5.590413 0.000000\n0.000000 0.000000 7.908541\nGa Pd\n4 8\ndirect\n0.750000 0.205011 0.392004 Ga\n0.250000 0.794989 0.607996 Ga\n0.750000 0.705011 0.107996 Ga\n0.250000 0.294989 0.892004 Ga\n0.750000 0.164235 0.066411 Pd\n0.250000 0.835765 0.933589 Pd\n0.750000 0.664235 0.433589 Pd\n0.250000 0.335765 0.566411 Pd\n0.750000 0.041306 0.708065 Pd\n0.250000 0.958694 0.291935 Pd\n0.750000 0.541306 0.791935 Pd\n0.250000 0.458694 0.208065 Pd\n",
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"density": 10.347338277008227,
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"formula_full": "Ga4 Pd8",
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{
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"created_at": "2022-09-04T14:47:16.786478Z",
"structure_string": "Ca4 Ni2 W2 O12\n1.0\n5.454043 -0.000026 -0.033831\n-0.000024 5.645388 0.000059\n-0.023957 0.000087 7.789336\nCa Ni W O\n4 2 2 12\ndirect\n0.985492 0.055408 0.253374 Ca\n0.514509 0.555404 0.246600 Ca\n0.014509 0.944592 0.746626 Ca\n0.485490 0.444596 0.753400 Ca\n0.000001 0.500000 0.500000 Ni\n0.500001 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.500000 W\n0.690377 0.284504 0.446546 O\n0.809596 0.784476 0.053434 O\n0.309623 0.715496 0.553454 O\n0.190404 0.215524 0.946566 O\n0.210679 0.194025 0.545184 O\n0.289289 0.694067 0.954834 O\n0.789321 0.805975 0.454815 O\n0.710711 0.305933 0.045166 O\n0.095529 0.468056 0.241262 O\n0.404515 0.968069 0.258752 O\n0.595486 0.031931 0.741248 O\n0.904472 0.531944 0.758738 O\n",
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{
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