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{
"id": "mp-1205640",
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{
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{
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"formula_full": "Cu2 Au2 Cl2 O4",
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},
{
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"created_at": "2022-09-04T14:44:54.274098Z",
"structure_string": "Rb4 H4 S4 O8\n1.0\n0.000000 -5.992610 0.000000\n-5.254152 2.996305 0.996257\n0.587587 0.000000 -11.655000\nRb H S O\n4 4 4 8\ndirect\n0.247771 0.495542 0.677899 Rb\n0.752229 0.504458 0.322101 Rb\n0.350458 0.700917 0.082031 Rb\n0.649542 0.299083 0.917969 Rb\n0.432861 0.865721 0.405488 H\n0.567139 0.134279 0.594512 H\n0.280390 0.560781 0.362073 H\n0.719610 0.439219 0.637927 H\n0.083739 0.167478 0.366094 S\n0.916261 0.832522 0.633906 S\n0.040101 0.080202 0.183729 S\n0.959899 0.919798 0.816271 S\n0.891565 0.192280 0.144211 O\n0.300715 0.192280 0.144211 O\n0.108435 0.807720 0.855789 O\n0.699285 0.807720 0.855789 O\n0.102605 0.205210 0.856896 O\n0.897395 0.794790 0.143104 O\n0.363041 0.726081 0.335113 O\n0.636959 0.273919 0.664887 O\n",
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"spacegroup": 12
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{
"id": "mp-1207684",
"created_at": "2022-09-04T14:44:55.325686Z",
"structure_string": "Tm2 Mn4 Si2 C2\n1.0\n1.830732 -5.274208 0.000000\n1.830732 5.274208 0.000000\n0.000000 0.000000 6.962113\nTm Mn Si C\n2 4 2 2\ndirect\n0.543400 0.456600 0.250000 Tm\n0.456600 0.543400 0.750000 Tm\n0.831996 0.168004 0.061069 Mn\n0.168004 0.831996 0.938931 Mn\n0.168004 0.831996 0.561069 Mn\n0.831996 0.168004 0.438931 Mn\n0.263987 0.736013 0.250000 Si\n0.736013 0.263987 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"density_atomic": 0.07437841348478505,
"volume": 134.44761095967198,
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"formula_full": "Tm2 Mn4 Si2 C2",
"formula_reduced": "TmMn2SiC",
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"updated_at": "2021-11-28T01:36:46.592000Z",
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{
"id": "mp-1223456",
"created_at": "2022-09-04T14:45:11.106014Z",
"structure_string": "K1 Co1 Cu1 S2\n1.0\n-1.909821 1.909821 6.495513\n1.909821 -1.909821 6.495513\n1.909821 1.909821 -6.495513\nK Co Cu S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Cu\n0.648230 0.648230 0.000000 S\n0.351770 0.351770 0.000000 S\n",
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{
"id": "mp-1227957",
"created_at": "2022-09-04T14:45:19.374607Z",
"structure_string": "Ba1 Fe1 As2 Ru1\n1.0\n-2.047432 2.047432 6.323553\n2.047432 -2.047432 6.323553\n2.047432 2.047432 -6.323553\nBa Fe As Ru\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Fe\n0.651036 0.651036 0.000000 As\n0.348964 0.348964 0.000000 As\n0.250000 0.750000 0.500000 Ru\n",
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"volume": 106.03277503651195,
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"formula_full": "Ba1 Fe1 As2 Ru1",
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{
"id": "mp-1216316",
"created_at": "2022-09-04T14:45:20.039437Z",
"structure_string": "U1 Co1 Ni1 Ge2\n1.0\n-1.990491 1.990491 4.945643\n1.990491 -1.990491 4.945643\n1.990491 1.990491 -4.945643\nU Co Ni Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Ni\n0.622996 0.622996 0.000000 Ge\n0.377004 0.377004 0.000000 Ge\n",
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{
"id": "mp-1205607",
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"structure_string": "Tm2 Si2 Os4 C2\n1.0\n1.910771 -5.568535 0.000000\n1.910771 5.568535 0.000000\n0.000000 0.000000 7.112396\nTm Si Os C\n2 2 4 2\ndirect\n0.546040 0.453960 0.250000 Tm\n0.453960 0.546040 0.750000 Tm\n0.267431 0.732569 0.250000 Si\n0.732569 0.267431 0.750000 Si\n0.835440 0.164560 0.057617 Os\n0.164560 0.835440 0.942383 Os\n0.164560 0.835440 0.557617 Os\n0.835440 0.164560 0.442383 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
"id": "mp-1236152",
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"structure_string": "Li1 Cu1 Au1 O2\n1.0\n1.637199 0.945238 6.418816\n-1.637199 0.945238 6.418816\n0.000000 -1.890476 6.418816\nLi Cu Au O\n1 1 1 2\ndirect\n0.242741 0.242741 0.242741 Li\n0.484197 0.484197 0.484197 Cu\n0.008206 0.008206 0.008206 Au\n0.115778 0.115778 0.115778 O\n0.899078 0.899078 0.899078 O\n",
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"formula_full": "Li1 Cu1 Au1 O2",
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{
"id": "mp-547244",
"created_at": "2022-09-04T14:45:22.175922Z",
"structure_string": "Sr2 Bi2 Cl2 O4\n1.0\n2.896572 -6.358909 0.000000\n2.896572 6.358909 0.000000\n0.000000 0.000000 5.680544\nSr Bi Cl O\n2 2 2 4\ndirect\n0.892022 0.107978 0.750000 Sr\n0.107978 0.892022 0.250000 Sr\n0.419288 0.580712 0.250000 Bi\n0.580712 0.419288 0.750000 Bi\n0.755615 0.244385 0.250000 Cl\n0.244385 0.755615 0.750000 Cl\n0.735419 0.735419 0.000000 O\n0.735419 0.735419 0.500000 O\n0.264581 0.264581 0.500000 O\n0.264581 0.264581 0.000000 O\n",
"nsites": 10,
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"elements": [
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"volume": 209.2603088660921,
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"formula_full": "Sr2 Bi2 Cl2 O4",
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{
"id": "mp-557049",
"created_at": "2022-09-04T14:45:36.875951Z",
"structure_string": "Cd4 Sb4 S8 Cl4\n1.0\n3.948322 0.000000 0.000000\n0.000000 9.742611 0.000000\n0.000000 0.000000 12.713909\nCd Sb S Cl\n4 4 8 4\ndirect\n0.750000 0.500424 0.769339 Cd\n0.250000 0.999576 0.269339 Cd\n0.250000 0.499576 0.230661 Cd\n0.750000 0.000424 0.730661 Cd\n0.750000 0.316793 0.467290 Sb\n0.750000 0.816793 0.032710 Sb\n0.250000 0.683207 0.532710 Sb\n0.250000 0.183207 0.967290 Sb\n0.750000 0.740355 0.665977 S\n0.750000 0.551736 0.389485 S\n0.250000 0.948264 0.889485 S\n0.750000 0.051736 0.110515 S\n0.250000 0.259645 0.334023 S\n0.250000 0.448264 0.610515 S\n0.250000 0.759645 0.165977 S\n0.750000 0.240355 0.834023 S\n0.250000 0.572810 0.893787 Cl\n0.250000 0.072810 0.606213 Cl\n0.750000 0.927190 0.393787 Cl\n0.750000 0.427190 0.106213 Cl\n",
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]
}