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{
"id": "mp-20733",
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"structure_string": "Er4 Si4 Ir4\n1.0\n4.209637 0.000000 0.000000\n0.000000 6.791188 0.000000\n0.000000 0.000000 7.443742\nEr Si Ir\n4 4 4\ndirect\n0.750000 0.503631 0.812243 Er\n0.250000 0.996369 0.312243 Er\n0.750000 0.003631 0.687757 Er\n0.250000 0.496369 0.187757 Er\n0.250000 0.703290 0.611217 Si\n0.250000 0.203290 0.888783 Si\n0.750000 0.296710 0.388783 Si\n0.750000 0.796710 0.111217 Si\n0.250000 0.842310 0.933849 Ir\n0.250000 0.342310 0.566151 Ir\n0.750000 0.657690 0.433849 Ir\n0.750000 0.157690 0.066151 Ir\n",
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{
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{
"id": "mp-989584",
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"structure_string": "Ca6 Sn2 N1 O1\n1.0\n0.000000 4.879354 4.879354\n4.879354 0.000000 4.879354\n4.879354 4.879354 0.000000\nCa Sn N O\n6 2 1 1\ndirect\n0.252418 0.747582 0.747582 Ca\n0.252418 0.747582 0.252418 Ca\n0.747582 0.252418 0.747582 Ca\n0.747582 0.747582 0.252418 Ca\n0.252418 0.252418 0.747582 Ca\n0.747582 0.252418 0.252418 Ca\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Ca6 Sn2 N1 O1",
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},
{
"id": "mp-1213206",
"created_at": "2022-09-04T14:44:26.358596Z",
"structure_string": "Cs4 P28\n1.0\n9.598012 0.000000 0.000000\n0.000000 9.773349 0.000000\n0.000000 0.000000 9.909094\nCs P\n4 28\ndirect\n0.715392 0.256282 0.252621 Cs\n0.284608 0.756282 0.747379 Cs\n0.284608 0.256282 0.752621 Cs\n0.715392 0.756282 0.247379 Cs\n0.332841 0.384554 0.134059 P\n0.667159 0.884554 0.865941 P\n0.667159 0.384554 0.634059 P\n0.332841 0.884554 0.365941 P\n0.112874 0.159578 0.318792 P\n0.887126 0.659578 0.681208 P\n0.887126 0.159578 0.818792 P\n0.112874 0.659578 0.181208 P\n0.068996 0.001127 0.163515 P\n0.931004 0.501127 0.836485 P\n0.931004 0.001127 0.663515 P\n0.068996 0.501127 0.336485 P\n0.409093 0.999128 0.183912 P\n0.590907 0.499128 0.816088 P\n0.590907 0.999128 0.683912 P\n0.409093 0.499128 0.316088 P\n0.248346 0.000421 0.033565 P\n0.751654 0.500421 0.966435 P\n0.751654 0.000421 0.533565 P\n0.248346 0.500421 0.466435 P\n0.111674 0.341389 0.182174 P\n0.888326 0.841389 0.817826 P\n0.888326 0.341389 0.682174 P\n0.111674 0.841389 0.317826 P\n0.334251 0.114721 0.366125 P\n0.665749 0.614721 0.633875 P\n0.665749 0.114721 0.866125 P\n0.334251 0.614721 0.133875 P\n",
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"formula_full": "Cs4 P28",
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"spacegroup": 29
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{
"id": "mp-1110651",
"created_at": "2022-09-04T14:44:26.358403Z",
"structure_string": "Rb2 Li1 Sb1 F6\n1.0\n0.000000 4.378359 4.378359\n4.378359 0.000000 4.378359\n4.378359 4.378359 0.000000\nRb Li Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.746871 0.253129 0.253129 F\n0.253129 0.253129 0.746871 F\n0.253129 0.746871 0.746871 F\n0.253129 0.746871 0.253129 F\n0.746871 0.253129 0.746871 F\n0.746871 0.746871 0.253129 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "F-Li-Rb-Sb",
"density": 4.091606850965466,
"density_atomic": 0.05957113838275466,
"volume": 167.8665251576746,
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"formula_full": "Rb2 Li1 Sb1 F6",
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"formula_anonymous": "ABC2D6",
"energy": -48.46309063,
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"spacegroup": 225
},
{
"id": "mp-759050",
"created_at": "2022-09-04T14:44:26.365477Z",
"structure_string": "Li6 Fe1 Co9 O20\n1.0\n4.985897 0.000000 0.000000\n-2.377245 7.290218 0.000000\n-0.717465 -1.354276 9.695665\nLi Fe Co O\n6 1 9 20\ndirect\n0.595232 0.949557 0.247885 Li\n0.404768 0.050443 0.752115 Li\n0.800077 0.345943 0.249117 Li\n0.602322 0.448129 0.751424 Li\n0.397678 0.551871 0.248576 Li\n0.199923 0.654057 0.750883 Li\n0.000000 0.000000 0.500000 Fe\n0.203330 0.902321 0.006199 Co\n0.599394 0.198220 0.499995 Co\n0.796670 0.097679 0.993801 Co\n0.403001 0.302685 0.002871 Co\n0.199094 0.397896 0.500553 Co\n0.800906 0.602104 0.499447 Co\n0.000000 0.500000 0.000000 Co\n0.400606 0.801780 0.500005 Co\n0.596999 0.697315 0.997129 Co\n0.871658 0.913217 0.094795 O\n0.332297 0.982352 0.398022 O\n0.667703 0.017648 0.601978 O\n0.480770 0.863795 0.891888 O\n0.128342 0.086783 0.905205 O\n0.316679 0.219578 0.609207 O\n0.519230 0.136205 0.108112 O\n0.883100 0.178809 0.390635 O\n0.509963 0.372844 0.393259 O\n0.683775 0.271629 0.893941 O\n0.883757 0.412666 0.607387 O\n0.111002 0.339772 0.106328 O\n0.674884 0.515297 0.104707 O\n0.116243 0.587334 0.392613 O\n0.490037 0.627156 0.606741 O\n0.325116 0.484703 0.895293 O\n0.116900 0.821191 0.609365 O\n0.888998 0.660228 0.893672 O\n0.316225 0.728371 0.106059 O\n0.683321 0.780422 0.390793 O\n",
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"formula_full": "Li6 Fe1 Co9 O20",
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"spacegroup": 2
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{
"id": "mp-1201237",
"created_at": "2022-09-04T14:44:26.374314Z",
"structure_string": "Dy10 Ga30\n1.0\n3.096712 -5.363663 0.000000\n3.096712 5.363663 0.000000\n0.000000 0.000000 23.524936\nDy Ga\n10 30\ndirect\n0.000000 0.000000 0.250000 Dy\n0.000000 0.000000 0.750000 Dy\n0.333333 0.666667 0.350969 Dy\n0.666667 0.333333 0.649031 Dy\n0.666667 0.333333 0.850969 Dy\n0.333333 0.666667 0.149031 Dy\n0.333333 0.666667 0.544581 Dy\n0.666667 0.333333 0.455419 Dy\n0.666667 0.333333 0.044581 Dy\n0.333333 0.666667 0.955419 Dy\n0.517558 0.482442 0.250000 Ga\n0.517558 0.035116 0.250000 Ga\n0.964884 0.482442 0.250000 Ga\n0.482442 0.517558 0.750000 Ga\n0.482442 0.964884 0.750000 Ga\n0.035116 0.517558 0.750000 Ga\n0.829741 0.170259 0.351246 Ga\n0.829741 0.659481 0.351246 Ga\n0.340519 0.170259 0.351246 Ga\n0.170259 0.829741 0.648754 Ga\n0.170259 0.340519 0.648754 Ga\n0.659481 0.829741 0.648754 Ga\n0.170259 0.829741 0.851246 Ga\n0.170259 0.340519 0.851246 Ga\n0.659481 0.829741 0.851246 Ga\n0.829741 0.170259 0.148754 Ga\n0.829741 0.659481 0.148754 Ga\n0.340519 0.170259 0.148754 Ga\n0.145650 0.854350 0.449024 Ga\n0.145650 0.291301 0.449024 Ga\n0.708699 0.854350 0.449024 Ga\n0.854350 0.145650 0.550976 Ga\n0.854350 0.708699 0.550976 Ga\n0.291301 0.145650 0.550976 Ga\n0.854350 0.145650 0.949024 Ga\n0.854350 0.708699 0.949024 Ga\n0.291301 0.145650 0.949024 Ga\n0.145650 0.854350 0.050976 Ga\n0.145650 0.291301 0.050976 Ga\n0.708699 0.854350 0.050976 Ga\n",
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{
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"structure_string": "Na4 Sn2 Te2 O12\n1.0\n5.564009 0.000000 0.000000\n0.000000 5.494679 0.000000\n0.000000 5.495807 7.824544\nNa Sn Te O\n4 2 2 12\ndirect\n0.040108 0.258650 0.749654 Na\n0.540108 0.741350 0.750346 Na\n0.459892 0.258650 0.249654 Na\n0.959892 0.741350 0.250346 Na\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.804360 0.664891 0.545919 O\n0.304360 0.335109 0.954081 O\n0.195640 0.335109 0.454081 O\n0.695640 0.664891 0.045919 O\n0.287572 0.760350 0.548295 O\n0.787572 0.239650 0.951705 O\n0.712428 0.239650 0.451705 O\n0.212428 0.760350 0.048295 O\n0.472821 0.149721 0.759040 O\n0.972821 0.850279 0.740960 O\n0.527179 0.850279 0.240960 O\n0.027179 0.149721 0.259040 O\n",
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{
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{
"id": "mp-1197599",
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{
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{
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}