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{
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"results": [
{
"id": "mp-1186579",
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{
"id": "mp-973734",
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{
"id": "mp-1213902",
"created_at": "2022-09-04T14:43:08.269559Z",
"structure_string": "Ce10 Ge4 Pd2\n1.0\n-3.912978 3.912978 6.521010\n3.912978 -3.912978 6.521010\n3.912978 3.912978 -6.521010\nCe Ge Pd\n10 4 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.000000 Ce\n0.833573 0.333573 0.857319 Ce\n0.166427 0.666427 0.142681 Ce\n0.476254 0.976254 0.142681 Ce\n0.333573 0.476254 0.500000 Ce\n0.023746 0.166427 0.500000 Ce\n0.523746 0.023746 0.857319 Ce\n0.666427 0.523746 0.500000 Ce\n0.976254 0.833573 0.500000 Ce\n0.121114 0.621114 0.742229 Ge\n0.878886 0.378886 0.257771 Ge\n0.621114 0.878886 0.500000 Ge\n0.378886 0.121114 0.500000 Ge\n0.250000 0.250000 0.000000 Pd\n0.750000 0.750000 0.000000 Pd\n",
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"volume": 399.38308733004976,
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"formula_full": "Ce10 Ge4 Pd2",
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"updated_at": "2021-11-28T01:36:14.767000Z",
"spacegroup": 140
},
{
"id": "mp-1185101",
"created_at": "2022-09-04T14:48:17.590622Z",
"structure_string": "La1 Y1 Zn2\n1.0\n0.000000 3.682143 3.682143\n3.682143 0.000000 3.682143\n3.682143 3.682143 0.000000\nLa Y Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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"formula_full": "La1 Y1 Zn2",
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{
"id": "mp-972310",
"created_at": "2022-09-04T14:46:14.212683Z",
"structure_string": "Tb6 Si2\n1.0\n3.361733 -5.822692 0.000000\n3.361733 5.822692 0.000000\n0.000000 0.000000 5.101080\nTb Si\n6 2\ndirect\n0.177555 0.355110 0.250000 Tb\n0.644890 0.822445 0.250000 Tb\n0.177555 0.822445 0.250000 Tb\n0.822445 0.644890 0.750000 Tb\n0.355110 0.177555 0.750000 Tb\n0.822445 0.177555 0.750000 Tb\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
"nsites": 8,
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"elements": [
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"density": 8.395996014300588,
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"formula_full": "Tb6 Si2",
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"updated_at": "2021-11-28T01:37:27.119000Z",
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},
{
"id": "mp-672313",
"created_at": "2022-09-04T14:41:36.510630Z",
"structure_string": "Sc12 Pb10\n1.0\n-3.123760 4.510042 9.745409\n3.123760 -4.510042 9.745409\n3.123760 4.510042 -9.745409\nSc Pb\n12 10\ndirect\n0.695376 0.945376 0.250000 Sc\n0.252954 0.642652 0.610301 Sc\n0.673866 0.939882 0.733983 Sc\n0.032351 0.142652 0.889699 Sc\n0.967649 0.857348 0.110301 Sc\n0.794101 0.560118 0.233983 Sc\n0.205899 0.439882 0.766017 Sc\n0.304624 0.054624 0.750000 Sc\n0.326134 0.060118 0.266017 Sc\n0.304624 0.554624 0.250000 Sc\n0.747046 0.357348 0.389699 Sc\n0.695376 0.445376 0.750000 Sc\n0.473602 0.575140 0.898462 Pb\n0.596155 0.793434 0.802721 Pb\n0.676678 0.075140 0.601538 Pb\n0.000000 0.750000 0.750000 Pb\n0.990713 0.293434 0.697279 Pb\n0.526398 0.424860 0.101538 Pb\n0.009287 0.706566 0.302721 Pb\n0.403845 0.206566 0.197279 Pb\n0.323322 0.924860 0.398462 Pb\n0.000000 0.250000 0.250000 Pb\n",
"nsites": 22,
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"elements": [
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"chemical_system": "Pb-Sc",
"density": 7.896160875424794,
"density_atomic": 0.04005939382110192,
"volume": 549.184545783395,
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"formula_full": "Sc12 Pb10",
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"updated_at": "2021-11-28T01:35:27.684000Z",
"spacegroup": 72
},
{
"id": "mp-1191230",
"created_at": "2022-09-04T14:41:31.825830Z",
"structure_string": "Pr8 Fe2 S14\n1.0\n6.997597 0.000000 0.000000\n0.000000 9.929100 0.000000\n0.000000 4.963974 8.622841\nPr Fe S\n8 2 14\ndirect\n0.724562 0.780746 0.844576 Pr\n0.723768 0.375088 0.780776 Pr\n0.724519 0.844293 0.375645 Pr\n0.224562 0.219254 0.155424 Pr\n0.223768 0.624912 0.219224 Pr\n0.224519 0.155707 0.624355 Pr\n0.179307 0.663194 0.666563 Pr\n0.679307 0.336806 0.333437 Pr\n0.517325 0.001931 0.001455 Fe\n0.017325 0.998069 0.998545 Fe\n0.334502 0.871856 0.900052 S\n0.335536 0.233488 0.869324 S\n0.335283 0.898436 0.232621 S\n0.834502 0.128144 0.099948 S\n0.835536 0.766512 0.130676 S\n0.835283 0.101564 0.767379 S\n0.966988 0.925062 0.562514 S\n0.964734 0.510399 0.927109 S\n0.961880 0.559968 0.510457 S\n0.466988 0.074938 0.437486 S\n0.464734 0.489601 0.072891 S\n0.461880 0.440032 0.489543 S\n0.563597 0.667442 0.666914 S\n0.063597 0.332558 0.333086 S\n",
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],
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"density": 4.678176869342697,
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"volume": 599.1136162391728,
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"formula_full": "Pr8 Fe2 S14",
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"formula_anonymous": "AB4C7",
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"spacegroup": 4
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{
"id": "mp-570301",
"created_at": "2022-09-04T14:47:20.672871Z",
"structure_string": "Ag2 Br2\n1.0\n4.154709 0.000000 0.000000\n0.000000 4.112159 0.000000\n0.000000 0.117163 5.844617\nAg Br\n2 2\ndirect\n0.750000 0.791475 0.239883 Ag\n0.250000 0.208525 0.760117 Ag\n0.250000 0.276868 0.255405 Br\n0.750000 0.723132 0.744595 Br\n",
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},
{
"id": "mp-11475",
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"structure_string": "Tm1 Hg1\n1.0\n3.682254 0.000000 0.000000\n0.000000 3.682254 0.000000\n0.000000 0.000000 3.682254\nTm Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "mp-1232169",
"created_at": "2022-09-04T14:44:09.295800Z",
"structure_string": "Mg4 Sc8 Se16\n1.0\n13.480427 0.000000 0.000000\n0.000000 7.833251 0.000000\n0.000000 0.000000 6.619531\nMg Sc Se\n4 8 16\ndirect\n0.092915 0.250000 0.915763 Mg\n0.907085 0.750000 0.084237 Mg\n0.407085 0.750000 0.415763 Mg\n0.592915 0.250000 0.584237 Mg\n0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.238757 0.750000 0.008841 Sc\n0.761243 0.250000 0.991159 Sc\n0.261243 0.250000 0.508841 Sc\n0.738757 0.750000 0.491159 Sc\n0.170878 0.994777 0.730043 Se\n0.829122 0.005223 0.269957 Se\n0.329122 0.005223 0.230043 Se\n0.670878 0.994777 0.769957 Se\n0.670878 0.505223 0.769957 Se\n0.329122 0.494777 0.230043 Se\n0.829122 0.494777 0.269957 Se\n0.170878 0.505223 0.730043 Se\n0.079161 0.750000 0.257139 Se\n0.920839 0.250000 0.742861 Se\n0.420839 0.250000 0.757139 Se\n0.579161 0.750000 0.242861 Se\n0.089679 0.250000 0.296863 Se\n0.910321 0.750000 0.703137 Se\n0.410321 0.750000 0.796863 Se\n0.589679 0.250000 0.203137 Se\n",
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"formula_full": "Mg4 Sc8 Se16",
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"formula_anonymous": "AB2C4",
"energy": -163.19439848,
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{
"id": "mp-2128",
"created_at": "2022-09-04T14:48:22.559748Z",
"structure_string": "Sn8 Pd2\n1.0\n3.280824 -5.826428 0.000000\n3.280824 5.826428 0.000000\n0.000000 0.000000 6.529884\nSn Pd\n8 2\ndirect\n0.202836 0.456139 0.328929 Sn\n0.543861 0.797164 0.671071 Sn\n0.456139 0.202836 0.671071 Sn\n0.797164 0.543861 0.328929 Sn\n0.956139 0.702836 0.828929 Sn\n0.297164 0.043861 0.171071 Sn\n0.702836 0.956139 0.171071 Sn\n0.043861 0.297164 0.828929 Sn\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
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},
{
"id": "mp-672226",
"created_at": "2022-09-04T14:41:16.308644Z",
"structure_string": "Ba4 Mn4 Si8\n1.0\n4.417937 0.000000 0.000000\n0.000000 6.829996 0.000000\n0.000000 0.000000 13.237466\nBa Mn Si\n4 4 8\ndirect\n0.750000 0.766934 0.097678 Ba\n0.250000 0.733066 0.597678 Ba\n0.250000 0.233066 0.902322 Ba\n0.750000 0.266934 0.402322 Ba\n0.250000 0.778412 0.348658 Mn\n0.750000 0.221588 0.651342 Mn\n0.250000 0.278412 0.151342 Mn\n0.750000 0.721588 0.848658 Mn\n0.250000 0.027511 0.249017 Si\n0.750000 0.774600 0.370514 Si\n0.250000 0.225400 0.629486 Si\n0.750000 0.472489 0.749017 Si\n0.250000 0.725400 0.870514 Si\n0.250000 0.527511 0.250983 Si\n0.750000 0.972489 0.750983 Si\n0.750000 0.274600 0.129486 Si\n",
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"volume": 399.4338124236316,
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"formula_full": "Ba4 Mn4 Si8",
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"energy": -89.54724594,
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}
]
}