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{
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"results": [
{
"id": "mp-1209358",
"created_at": "2022-09-04T14:48:22.268487Z",
"structure_string": "Rb6 Ta4 As2 S22\n1.0\n6.629852 7.401413 0.000000\n-6.629852 7.401413 0.000000\n0.000000 1.465517 9.684429\nRb Ta As S\n6 4 2 22\ndirect\n0.306310 0.460833 0.339764 Rb\n0.460833 0.306310 0.839764 Rb\n0.567339 0.699747 0.669692 Rb\n0.699747 0.567339 0.169692 Rb\n0.933192 0.095200 0.926747 Rb\n0.095200 0.933192 0.426747 Rb\n0.202098 0.662223 0.946473 Ta\n0.662223 0.202098 0.446473 Ta\n0.955240 0.538101 0.761350 Ta\n0.538101 0.955240 0.261350 Ta\n0.006466 0.323506 0.503184 As\n0.323506 0.006466 0.003184 As\n0.219270 0.636442 0.696049 S\n0.636442 0.219270 0.196049 S\n0.230748 0.833888 0.746764 S\n0.833888 0.230748 0.246764 S\n0.412231 0.583648 0.998561 S\n0.583648 0.412231 0.498561 S\n0.121328 0.336489 0.692785 S\n0.336489 0.121328 0.192785 S\n0.553146 0.052870 0.637758 S\n0.052870 0.553146 0.137758 S\n0.770942 0.435571 0.848946 S\n0.435571 0.770942 0.348946 S\n0.919083 0.542525 0.512948 S\n0.542525 0.919083 0.012948 S\n0.881671 0.781606 0.706715 S\n0.781606 0.881671 0.206715 S\n0.854192 0.173265 0.595810 S\n0.173265 0.854192 0.095810 S\n0.098434 0.438978 0.969318 S\n0.438978 0.098434 0.469318 S\n0.926286 0.727632 0.908487 S\n0.727632 0.926286 0.408487 S\n",
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"spacegroup": 9
},
{
"id": "mp-558636",
"created_at": "2022-09-04T14:48:22.279497Z",
"structure_string": "Ca2 Al4 O8\n1.0\n3.807164 0.000000 0.000000\n0.000000 5.611053 0.000000\n0.000000 1.372039 6.978744\nCa Al O\n2 4 8\ndirect\n0.750000 0.731693 0.571991 Ca\n0.250000 0.268307 0.428009 Ca\n0.750000 0.847272 0.129009 Al\n0.250000 0.152728 0.870991 Al\n0.750000 0.344943 0.112448 Al\n0.250000 0.655057 0.887552 Al\n0.250000 0.941408 0.692611 O\n0.250000 0.858745 0.071163 O\n0.250000 0.455692 0.696729 O\n0.750000 0.642696 0.925505 O\n0.750000 0.544308 0.303271 O\n0.750000 0.141255 0.928837 O\n0.250000 0.357304 0.074495 O\n0.750000 0.058592 0.307389 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Al-Ca-O",
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"density_atomic": 0.09390848021265397,
"volume": 149.08131798424665,
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"formula_full": "Ca2 Al4 O8",
"formula_reduced": "CaAl2O4",
"formula_anonymous": "AB2C4",
"energy": -106.6928101,
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"spacegroup": 11
},
{
"id": "mp-772840",
"created_at": "2022-09-04T14:48:22.293158Z",
"structure_string": "Sm8 Ge8 O28\n1.0\n6.987329 0.000000 0.000000\n0.000000 6.987329 0.000000\n0.000000 0.000000 12.733641\nSm Ge O\n8 8 28\ndirect\n0.122611 0.649758 0.134645 Sm\n0.149758 0.377389 0.884645 Sm\n0.350242 0.877389 0.365355 Sm\n0.377389 0.149758 0.115355 Sm\n0.622611 0.850242 0.615355 Sm\n0.649758 0.122611 0.865355 Sm\n0.850242 0.622611 0.384645 Sm\n0.877389 0.350242 0.634645 Sm\n0.098312 0.845746 0.621181 Ge\n0.154254 0.901688 0.878819 Ge\n0.345746 0.401688 0.371181 Ge\n0.401688 0.345746 0.628819 Ge\n0.598312 0.654254 0.128819 Ge\n0.654254 0.598312 0.871181 Ge\n0.845746 0.098312 0.378819 Ge\n0.901688 0.154254 0.121181 Ge\n0.026772 0.924402 0.374756 O\n0.062124 0.336670 0.072101 O\n0.075598 0.973228 0.125244 O\n0.143109 0.690527 0.953636 O\n0.163330 0.562124 0.322101 O\n0.190527 0.356891 0.703636 O\n0.196594 0.803406 0.750000 O\n0.303406 0.303406 0.500000 O\n0.309473 0.856891 0.546364 O\n0.336670 0.062124 0.927899 O\n0.356891 0.190527 0.296364 O\n0.424402 0.473228 0.124756 O\n0.437876 0.836670 0.177899 O\n0.473228 0.424402 0.875244 O\n0.526772 0.575598 0.375244 O\n0.562124 0.163330 0.677899 O\n0.575598 0.526772 0.624756 O\n0.643109 0.809473 0.796364 O\n0.663330 0.937876 0.427899 O\n0.690527 0.143109 0.046364 O\n0.696594 0.696594 0.000000 O\n0.803406 0.196594 0.250000 O\n0.809473 0.643109 0.203636 O\n0.836670 0.437876 0.822101 O\n0.856891 0.309473 0.453636 O\n0.924402 0.026772 0.625244 O\n0.937876 0.663330 0.572101 O\n0.973228 0.075598 0.874756 O\n",
"nsites": 44,
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"elements": [
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"Ge",
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],
"chemical_system": "Ge-O-Sm",
"density": 5.961630183406707,
"density_atomic": 0.07077464337462999,
"volume": 621.6915819285119,
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"formula_full": "Sm8 Ge8 O28",
"formula_reduced": "Sm2Ge2O7",
"formula_anonymous": "A2B2C7",
"energy": -344.35929798,
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"updated_at": "2021-11-28T01:39:30.474000Z",
"spacegroup": 92
},
{
"id": "mp-1260",
"created_at": "2022-09-04T14:48:22.295384Z",
"structure_string": "Sr1 Pd5\n1.0\n2.730295 -4.729010 0.000000\n2.730295 4.729010 0.000000\n0.000000 0.000000 4.464369\nSr Pd\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.333333 0.666667 0.000000 Pd\n",
"nsites": 6,
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"elements": [
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],
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"density": 8.926366703119927,
"density_atomic": 0.05204528185000535,
"volume": 115.28422532693774,
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"formula_full": "Sr1 Pd5",
"formula_reduced": "SrPd5",
"formula_anonymous": "AB5",
"energy": -29.83264507,
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"updated_at": "2021-11-28T01:39:04.626000Z",
"spacegroup": 191
},
{
"id": "mp-29703",
"created_at": "2022-09-04T14:48:22.297074Z",
"structure_string": "Ba2 Si14 N20\n1.0\n6.770190 0.000000 0.000000\n0.000000 6.924720 0.000000\n0.000000 2.701396 9.313606\nBa Si N\n2 14 20\ndirect\n0.594047 0.289397 0.787775 Ba\n0.405953 0.289397 0.287775 Ba\n0.865485 0.995153 0.468295 Si\n0.134515 0.995153 0.968295 Si\n0.871339 0.812407 0.773446 Si\n0.128661 0.812407 0.273446 Si\n0.118617 0.625090 0.577135 Si\n0.881383 0.625090 0.077135 Si\n0.106535 0.438016 0.888171 Si\n0.893465 0.438016 0.388171 Si\n0.124115 0.177972 0.653412 Si\n0.875885 0.177972 0.153412 Si\n0.472905 0.868981 0.632577 Si\n0.527095 0.868981 0.132577 Si\n0.472321 0.685860 0.944358 Si\n0.527679 0.685860 0.444358 Si\n0.915662 0.032451 0.637122 N\n0.084338 0.032451 0.137122 N\n0.888891 0.216581 0.329407 N\n0.111109 0.216581 0.829407 N\n0.922804 0.407353 0.023999 N\n0.077196 0.407353 0.523999 N\n0.000080 0.614023 0.737171 N\n0.999920 0.614023 0.237171 N\n0.036747 0.826517 0.437088 N\n0.963253 0.826517 0.937088 N\n0.617075 0.775198 0.788483 N\n0.382925 0.775198 0.288483 N\n0.341419 0.073978 0.630511 N\n0.658581 0.073978 0.130511 N\n0.333034 0.487171 0.942753 N\n0.666966 0.487171 0.442753 N\n0.367564 0.897091 0.985059 N\n0.632436 0.897091 0.485059 N\n0.630696 0.651202 0.094997 N\n0.369304 0.651202 0.594997 N\n",
"nsites": 36,
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"elements": [
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"Si",
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],
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"density": 3.605202195179836,
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"volume": 436.6374039035771,
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"formula_full": "Ba2 Si14 N20",
"formula_reduced": "BaSi7N10",
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"energy": -294.87159763,
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"updated_at": "2021-11-28T01:39:03.881000Z",
"spacegroup": 7
},
{
"id": "mp-1219601",
"created_at": "2022-09-04T14:48:22.283931Z",
"structure_string": "Sb1 Pb3 S4\n1.0\n4.273389 0.000000 0.000000\n0.000000 4.211541 0.000000\n0.000000 1.088373 17.517364\nSb Pb S\n1 3 4\ndirect\n0.500000 0.648341 0.912572 Sb\n0.500000 0.839804 0.250708 Pb\n0.000000 0.156424 0.748273 Pb\n0.000000 0.375754 0.083431 Pb\n0.500000 0.904118 0.094872 S\n0.000000 0.073333 0.902299 S\n0.000000 0.355967 0.240120 S\n0.500000 0.646259 0.767724 S\n",
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"volume": 315.26968670284475,
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"formula_full": "Sb1 Pb3 S4",
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"formula_anonymous": "AB3C4",
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{
"id": "mp-753378",
"created_at": "2022-09-04T14:48:22.311417Z",
"structure_string": "Ta2 Ga2 O8\n1.0\n4.670979 0.000000 0.000000\n0.000000 5.007901 0.000000\n0.000000 0.000000 5.650893\nTa Ga O\n2 2 8\ndirect\n0.000000 0.000000 0.820066 Ta\n0.500000 0.000000 0.320066 Ta\n0.000000 0.500000 0.169742 Ga\n0.500000 0.500000 0.669742 Ga\n0.773247 0.168436 0.115393 O\n0.772783 0.676948 0.889703 O\n0.727217 0.676948 0.389703 O\n0.726753 0.168436 0.615393 O\n0.272783 0.323052 0.389703 O\n0.273247 0.831564 0.615393 O\n0.226753 0.831564 0.115393 O\n0.227217 0.323052 0.889703 O\n",
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"formula_full": "Ta2 Ga2 O8",
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{
"id": "mp-567780",
"created_at": "2022-09-04T14:48:22.322006Z",
"structure_string": "Rb2 Sn4 Br10\n1.0\n-4.269520 4.269520 7.635319\n4.269520 -4.269520 7.635319\n4.269520 4.269520 -7.635319\nRb Sn Br\n2 4 10\ndirect\n0.250000 0.250000 0.000000 Rb\n0.750000 0.750000 0.000000 Rb\n0.179224 0.320776 0.500000 Sn\n0.320776 0.820776 0.141551 Sn\n0.820776 0.679224 0.500000 Sn\n0.679224 0.179224 0.858449 Sn\n0.470437 0.292150 0.500000 Br\n0.292150 0.792150 0.821714 Br\n0.529563 0.707850 0.500000 Br\n0.792150 0.970437 0.500000 Br\n0.970437 0.470437 0.178286 Br\n0.707850 0.207850 0.178286 Br\n0.207850 0.029563 0.500000 Br\n0.000000 0.000000 0.000000 Br\n0.029563 0.529563 0.821714 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 16,
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"formula_full": "Rb2 Sn4 Br10",
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{
"id": "mp-632311",
"created_at": "2022-09-04T14:48:22.346504Z",
"structure_string": "Ta2 H1\n1.0\n3.388072 0.000000 0.000000\n0.000000 3.388072 0.000000\n0.000000 0.000000 3.426501\nTa H\n2 1\ndirect\n0.500000 0.000000 0.739821 Ta\n0.000000 0.500000 0.260179 Ta\n0.000000 0.000000 0.000000 H\n",
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{
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}