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{
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{
"id": "mp-722397",
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"structure_string": "Mg2 P4 H24 O22\n1.0\n-7.793480 0.000000 0.000000\n2.316962 7.548548 0.000000\n-0.827701 -3.469686 -8.586214\nMg P H O\n2 4 24 22\ndirect\n0.357925 0.231944 0.711122 Mg\n0.642075 0.768056 0.288878 Mg\n0.415714 0.097737 0.319998 P\n0.584286 0.902263 0.680002 P\n0.269843 0.435326 0.085995 P\n0.730157 0.564674 0.914005 P\n0.186237 0.013471 0.168039 H\n0.813763 0.986529 0.831961 H\n0.490650 0.320982 0.214632 H\n0.509350 0.679018 0.785368 H\n0.322686 0.736759 0.138452 H\n0.677314 0.263241 0.861548 H\n0.000042 0.267391 0.127636 H\n0.999958 0.732609 0.872364 H\n0.184885 0.440025 0.616608 H\n0.815115 0.559975 0.383392 H\n0.095884 0.414096 0.767957 H\n0.904116 0.585904 0.232043 H\n0.031204 0.961479 0.627614 H\n0.968796 0.038521 0.372386 H\n0.164376 0.833832 0.581355 H\n0.835624 0.166168 0.418645 H\n0.140952 0.500051 0.407639 H\n0.859048 0.499949 0.592361 H\n0.324545 0.631637 0.493940 H\n0.675455 0.368363 0.506060 H\n0.242537 0.895723 0.926566 H\n0.757463 0.104277 0.073434 H\n0.204621 0.977658 0.936620 H\n0.795379 0.022342 0.063380 H\n0.449743 0.222224 0.490396 O\n0.550257 0.777776 0.509604 O\n0.458034 0.906802 0.266646 O\n0.541966 0.093198 0.733354 O\n0.205515 0.057395 0.280610 O\n0.794485 0.942605 0.719390 O\n0.521458 0.203911 0.211501 O\n0.478542 0.796089 0.788499 O\n0.254981 0.271694 0.931796 O\n0.745019 0.728306 0.068204 O\n0.434261 0.499427 0.191744 O\n0.565739 0.500573 0.808256 O\n0.240603 0.613777 0.063183 O\n0.759397 0.386223 0.936817 O\n0.099993 0.372253 0.188714 O\n0.900007 0.627747 0.811286 O\n0.170071 0.361828 0.681990 O\n0.829929 0.638172 0.318010 O\n0.158728 0.966875 0.615760 O\n0.841272 0.033125 0.384240 O\n0.194978 0.582055 0.511866 O\n0.805022 0.417945 0.488134 O\n",
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"formula_full": "Mg2 P4 H24 O22",
"formula_reduced": "MgP2H12O11",
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"updated_at": "2021-11-28T01:34:43.131000Z",
"spacegroup": 2
},
{
"id": "mp-17774",
"created_at": "2022-09-04T14:39:06.990463Z",
"structure_string": "K8 Li12 Ga4 O16\n1.0\n8.908467 0.000000 0.000000\n0.000000 5.608256 0.000000\n0.000000 4.010301 10.322214\nK Li Ga O\n8 12 4 16\ndirect\n0.992786 0.291048 0.862686 K\n0.492786 0.708952 0.637314 K\n0.007214 0.708952 0.137314 K\n0.507214 0.291048 0.362686 K\n0.727866 0.279912 0.609211 K\n0.227866 0.720088 0.890789 K\n0.272134 0.720088 0.390789 K\n0.772134 0.279912 0.109211 K\n0.261470 0.382756 0.200987 Li\n0.761470 0.617244 0.299013 Li\n0.738530 0.617244 0.799013 Li\n0.238530 0.382756 0.700987 Li\n0.035283 0.093371 0.297234 Li\n0.535283 0.906629 0.202766 Li\n0.964717 0.906629 0.702766 Li\n0.464717 0.093371 0.797234 Li\n0.491028 0.628494 0.069857 Li\n0.991028 0.371506 0.430143 Li\n0.508972 0.371506 0.930143 Li\n0.008972 0.628494 0.569857 Li\n0.288559 0.102786 0.063508 Ga\n0.788559 0.897214 0.436492 Ga\n0.711441 0.897214 0.936492 Ga\n0.211441 0.102786 0.563508 Ga\n0.322224 0.749481 0.142430 O\n0.822224 0.250519 0.357570 O\n0.677776 0.250519 0.857570 O\n0.177776 0.749481 0.642430 O\n0.189894 0.232476 0.381762 O\n0.689894 0.767524 0.118238 O\n0.810106 0.767524 0.618238 O\n0.310106 0.232476 0.881762 O\n0.109040 0.217470 0.115039 O\n0.609040 0.782530 0.384961 O\n0.890960 0.782530 0.884961 O\n0.390960 0.217470 0.615039 O\n0.051367 0.258352 0.623492 O\n0.551367 0.741648 0.876508 O\n0.948633 0.741648 0.376508 O\n0.448633 0.258352 0.123492 O\n",
"nsites": 40,
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"elements": [
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"formula_full": "K8 Li12 Ga4 O16",
"formula_reduced": "K2Li3GaO4",
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"spacegroup": 14
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{
"id": "mp-1105964",
"created_at": "2022-09-04T14:39:07.084221Z",
"structure_string": "Y2 Co8 B8\n1.0\n4.998950 0.000000 0.000000\n0.000000 4.998950 0.000000\n0.000000 0.000000 6.979675\nY Co B\n2 8 8\ndirect\n0.750000 0.250000 0.250000 Y\n0.250000 0.750000 0.750000 Y\n0.004118 0.750000 0.112320 Co\n0.495882 0.750000 0.112320 Co\n0.750000 0.004118 0.612320 Co\n0.750000 0.495882 0.612320 Co\n0.995882 0.250000 0.887680 Co\n0.504118 0.250000 0.887680 Co\n0.250000 0.995882 0.387680 Co\n0.250000 0.504118 0.387680 Co\n0.575183 0.750000 0.407687 B\n0.924817 0.750000 0.407687 B\n0.750000 0.575183 0.907687 B\n0.750000 0.924817 0.907687 B\n0.424817 0.250000 0.592313 B\n0.075183 0.250000 0.592313 B\n0.250000 0.424817 0.092313 B\n0.250000 0.075183 0.092313 B\n",
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"elements": [
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"volume": 174.41859610759167,
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"formula_full": "Y2 Co8 B8",
"formula_reduced": "Y(CoB)4",
"formula_anonymous": "AB4C4",
"energy": -132.19306893,
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"spacegroup": 137
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{
"id": "mp-1518556",
"created_at": "2022-09-04T14:39:07.113552Z",
"structure_string": "Ba2 Eu1 Bi1 O6\n1.0\n0.000000 -4.399851 -4.399851\n4.399851 -0.000000 -4.399851\n4.399851 -4.399851 0.000000\nBa Eu Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Eu\n-0.000000 -0.000000 0.000000 Bi\n0.757712 0.242288 0.242288 O\n0.242288 0.757712 0.757712 O\n0.757712 0.242288 0.757712 O\n0.242288 0.757712 0.242288 O\n0.757712 0.757712 0.242288 O\n0.242288 0.242288 0.757712 O\n",
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"volume": 170.35069274609978,
"volume_molar": 10.258758502805238,
"formula_full": "Ba2 Eu1 Bi1 O6",
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"spacegroup": 225
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{
"id": "mp-1183596",
"created_at": "2022-09-04T14:39:07.141285Z",
"structure_string": "Ca1 Lu1 Pd2\n1.0\n0.000000 3.469880 3.469880\n3.469880 0.000000 3.469880\n3.469880 3.469880 0.000000\nCa Lu Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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"volume": 83.55517685180453,
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"formula_full": "Ca1 Lu1 Pd2",
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"spacegroup": 225
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{
"id": "mp-560244",
"created_at": "2022-09-04T14:39:07.180758Z",
"structure_string": "Cs2 Zn2 B2 P4 O16\n1.0\n7.412160 -0.011635 -1.700066\n-2.936578 6.449624 -3.752257\n0.004282 0.020093 8.135997\nCs Zn B P O\n2 2 2 4 16\ndirect\n0.264466 0.647311 0.405071 Cs\n0.735534 0.352689 0.594929 Cs\n0.202905 0.293128 0.742839 Zn\n0.797095 0.706872 0.257161 Zn\n0.702295 0.933859 0.931360 B\n0.297705 0.066141 0.068640 B\n0.557608 0.228611 0.937619 P\n0.960241 0.903020 0.728868 P\n0.039759 0.096980 0.271132 P\n0.442392 0.771389 0.062381 P\n0.399374 0.969410 0.149182 O\n0.095361 0.275260 0.488026 O\n0.452291 0.238513 0.086267 O\n0.750012 0.424300 0.053854 O\n0.600626 0.030590 0.850818 O\n0.581485 0.797540 0.250392 O\n0.986616 0.111723 0.759241 O\n0.013384 0.888277 0.240759 O\n0.904639 0.724740 0.511974 O\n0.207701 0.171228 0.205527 O\n0.547709 0.761487 0.913733 O\n0.418515 0.202460 0.749608 O\n0.154670 0.910890 0.858096 O\n0.249988 0.575700 0.946146 O\n0.792299 0.828772 0.794473 O\n0.845330 0.089110 0.141904 O\n",
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"formula_full": "Cs2 Zn2 B2 P4 O16",
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{
"id": "mp-1045799",
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"formula_full": "Co2 P8 O24",
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{
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