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{
"id": "mp-9368",
"created_at": "2022-09-04T14:44:57.065578Z",
"structure_string": "Rb1 Tm1 S2\n1.0\n7.757142 -2.013509 0.000000\n7.757142 2.013509 0.000000\n7.234499 0.000000 3.448115\nRb Tm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Tm\n0.770112 0.770112 0.770112 S\n0.229888 0.229888 0.229888 S\n",
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{
"id": "mp-1185837",
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"structure_string": "Mg5 Sc1\n1.0\n5.556228 -2.751060 0.000000\n5.556228 2.751060 0.000000\n4.194094 0.000000 4.566134\nMg Sc\n5 1\ndirect\n0.337939 0.000000 0.662061 Mg\n0.662061 0.337939 0.000000 Mg\n0.000000 0.662061 0.337939 Mg\n0.164762 0.164762 0.164762 Mg\n0.835238 0.835238 0.835238 Mg\n0.500000 0.500000 0.500000 Sc\n",
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{
"id": "mp-1197419",
"created_at": "2022-09-04T14:44:56.648500Z",
"structure_string": "Rb12 Na2 U6 Si8 O40 F2\n1.0\n11.260216 0.000000 0.000000\n0.000000 13.842942 0.000000\n0.000000 0.000000 7.948510\nRb Na U Si O F\n12 2 6 8 40 2\ndirect\n0.814212 0.442892 0.746954 Rb\n0.185788 0.557108 0.746954 Rb\n0.314212 0.057108 0.753046 Rb\n0.685788 0.942892 0.753046 Rb\n0.185788 0.557108 0.253046 Rb\n0.814212 0.442892 0.253046 Rb\n0.685788 0.942892 0.246954 Rb\n0.314212 0.057108 0.246954 Rb\n0.070111 0.300235 0.000000 Rb\n0.929889 0.699765 0.000000 Rb\n0.570111 0.199765 0.500000 Rb\n0.429889 0.800235 0.500000 Rb\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.111628 0.272857 0.500000 U\n0.888372 0.727143 0.500000 U\n0.611628 0.227143 0.000000 U\n0.388372 0.772857 0.000000 U\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 U\n0.858997 0.175195 0.696673 Si\n0.141003 0.824805 0.696673 Si\n0.358997 0.324805 0.803327 Si\n0.641003 0.675195 0.803327 Si\n0.141003 0.824805 0.303327 Si\n0.858997 0.175195 0.303327 Si\n0.641003 0.675195 0.196673 Si\n0.358997 0.324805 0.196673 Si\n0.823401 0.140485 0.500000 O\n0.176599 0.859515 0.500000 O\n0.323401 0.359515 0.000000 O\n0.676599 0.640485 0.000000 O\n0.739497 0.218982 0.785528 O\n0.260503 0.781018 0.785528 O\n0.239497 0.281018 0.714472 O\n0.760503 0.718982 0.714472 O\n0.260503 0.781018 0.214472 O\n0.739497 0.218982 0.214472 O\n0.760503 0.718982 0.285528 O\n0.239497 0.281018 0.285528 O\n0.960317 0.259997 0.684561 O\n0.039683 0.740003 0.684561 O\n0.460317 0.240003 0.815439 O\n0.539683 0.759997 0.815439 O\n0.039683 0.740003 0.315439 O\n0.960317 0.259997 0.315439 O\n0.539683 0.759997 0.184561 O\n0.460317 0.240003 0.184561 O\n0.903448 0.077219 0.792355 O\n0.096552 0.922781 0.792355 O\n0.403448 0.422781 0.707645 O\n0.596552 0.577219 0.707645 O\n0.096552 0.922781 0.207645 O\n0.903448 0.077219 0.207645 O\n0.596552 0.577219 0.292355 O\n0.403448 0.422781 0.292355 O\n0.130266 0.137315 0.500000 O\n0.869734 0.862685 0.500000 O\n0.630266 0.362685 0.000000 O\n0.369734 0.637315 0.000000 O\n0.095175 0.407289 0.500000 O\n0.904825 0.592711 0.500000 O\n0.595175 0.092711 0.000000 O\n0.404825 0.907289 0.000000 O\n0.879552 0.906846 0.000000 O\n0.120448 0.093154 0.000000 O\n0.379552 0.593154 0.500000 O\n0.620448 0.406846 0.500000 O\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n",
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"elements": [
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],
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"density": 4.560123545145797,
"density_atomic": 0.056498535981502465,
"volume": 1238.970157083679,
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"formula_full": "Rb12 Na2 U6 Si8 O40 F2",
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"energy": -548.60339455,
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"updated_at": "2021-11-28T01:36:47.232000Z",
"spacegroup": 58
},
{
"id": "mp-998297",
"created_at": "2022-09-04T14:44:56.185347Z",
"structure_string": "Cs1 Sr1 Br3\n1.0\n4.270706 4.273152 0.000000\n-4.270706 4.273152 0.000000\n0.000000 0.001765 6.033992\nCs Sr Br\n1 1 3\ndirect\n0.995612 0.995612 0.996817 Cs\n0.495057 0.495057 0.484340 Sr\n0.495410 0.996498 0.485573 Br\n0.508003 0.508003 0.984434 Br\n0.996498 0.495410 0.485573 Br\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Br-Cs-Sr",
"density": 3.4701505104726746,
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"volume": 220.23317619393103,
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"formula_full": "Cs1 Sr1 Br3",
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"energy": -19.15157323,
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{
"id": "mp-561027",
"created_at": "2022-09-04T14:44:57.127386Z",
"structure_string": "Al16 P16 O64\n1.0\n9.035716 0.000000 0.000000\n0.000000 10.208687 0.000000\n0.000000 0.000000 20.052793\nAl P O\n16 16 64\ndirect\n0.861490 0.346749 0.547500 Al\n0.638510 0.846749 0.452500 Al\n0.695696 0.579973 0.794930 Al\n0.804304 0.579973 0.294930 Al\n0.695696 0.079973 0.705070 Al\n0.195696 0.420027 0.705070 Al\n0.804304 0.079973 0.205070 Al\n0.138510 0.653251 0.452500 Al\n0.304304 0.420027 0.205070 Al\n0.361490 0.153251 0.547500 Al\n0.304304 0.920027 0.294930 Al\n0.138510 0.153251 0.047500 Al\n0.861490 0.846749 0.952500 Al\n0.195696 0.920027 0.794930 Al\n0.361490 0.653251 0.952500 Al\n0.638510 0.346749 0.047500 Al\n0.846099 0.355821 0.705305 P\n0.793917 0.077822 0.047241 P\n0.706083 0.577822 0.952759 P\n0.706083 0.077822 0.547241 P\n0.346099 0.144179 0.705305 P\n0.293917 0.922178 0.452759 P\n0.793917 0.577822 0.452759 P\n0.653901 0.855821 0.294695 P\n0.206083 0.422178 0.547241 P\n0.846099 0.855821 0.794695 P\n0.153901 0.144179 0.205305 P\n0.206083 0.922178 0.952759 P\n0.653901 0.355821 0.205305 P\n0.153901 0.644179 0.294695 P\n0.293917 0.422178 0.047241 P\n0.346099 0.644179 0.794695 P\n0.310178 0.786579 0.775420 O\n0.753087 0.947560 0.254235 O\n0.689822 0.213421 0.224580 O\n0.220637 0.461979 0.620963 O\n0.246913 0.552440 0.754235 O\n0.550776 0.133930 0.533914 O\n0.246913 0.052440 0.745765 O\n0.279363 0.961979 0.379037 O\n0.686404 0.878646 0.369310 O\n0.821028 0.682909 0.971072 O\n0.178972 0.817091 0.471072 O\n0.813596 0.378646 0.630690 O\n0.990149 0.117783 0.220700 O\n0.313596 0.621354 0.869310 O\n0.449224 0.866070 0.466086 O\n0.509851 0.117783 0.720700 O\n0.253087 0.552440 0.254235 O\n0.265540 0.543392 0.003761 O\n0.449224 0.366070 0.033914 O\n0.313596 0.121354 0.630690 O\n0.550776 0.633930 0.966086 O\n0.779363 0.538021 0.379037 O\n0.990149 0.617783 0.279300 O\n0.234460 0.043392 0.996239 O\n0.765540 0.456608 0.496239 O\n0.009851 0.882217 0.779300 O\n0.279363 0.461979 0.120963 O\n0.186404 0.621354 0.369310 O\n0.490149 0.882217 0.279300 O\n0.050776 0.366070 0.533914 O\n0.949224 0.633930 0.466086 O\n0.810178 0.213421 0.724580 O\n0.821028 0.182909 0.528928 O\n0.678972 0.182909 0.028928 O\n0.734460 0.456608 0.996239 O\n0.186404 0.121354 0.130690 O\n0.050776 0.866070 0.966086 O\n0.678972 0.682909 0.471072 O\n0.686404 0.378646 0.130690 O\n0.234460 0.543392 0.503761 O\n0.779363 0.038021 0.120963 O\n0.321028 0.817091 0.971072 O\n0.753087 0.447560 0.245765 O\n0.734460 0.956608 0.503761 O\n0.189822 0.286579 0.224580 O\n0.720637 0.038021 0.620963 O\n0.810178 0.713421 0.775420 O\n0.765540 0.956608 0.003761 O\n0.813596 0.878646 0.869310 O\n0.189822 0.786579 0.275420 O\n0.509851 0.617783 0.779300 O\n0.746913 0.947560 0.754235 O\n0.720637 0.538021 0.879037 O\n0.009851 0.382217 0.720700 O\n0.490149 0.382217 0.220700 O\n0.746913 0.447560 0.745765 O\n0.253087 0.052440 0.245765 O\n0.220637 0.961979 0.879037 O\n0.321028 0.317091 0.528928 O\n0.689822 0.713421 0.275420 O\n0.178972 0.317091 0.028928 O\n0.310178 0.286579 0.724580 O\n0.265540 0.043392 0.496239 O\n0.949224 0.133930 0.033914 O\n",
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"formula_full": "Al16 P16 O64",
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{
"id": "mp-12240",
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"structure_string": "Na4 Li2 Be4 F14\n1.0\n7.698566 0.000000 0.000000\n0.000000 7.698566 0.000000\n0.000000 0.000000 4.896432\nNa Li Be F\n4 2 4 14\ndirect\n0.832237 0.667763 0.495000 Na\n0.332237 0.832237 0.505000 Na\n0.667763 0.167763 0.505000 Na\n0.167763 0.332237 0.495000 Na\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.859502 0.359502 0.929329 Be\n0.359502 0.140498 0.070671 Be\n0.140498 0.640498 0.929329 Be\n0.640498 0.859502 0.070671 Be\n0.583161 0.686291 0.207073 F\n0.416839 0.313709 0.207073 F\n0.313709 0.583161 0.792927 F\n0.686291 0.416839 0.792927 F\n0.000000 0.500000 0.818576 F\n0.500000 0.000000 0.181424 F\n0.357780 0.142220 0.759095 F\n0.857780 0.357780 0.240905 F\n0.142220 0.642220 0.240905 F\n0.642220 0.857780 0.759095 F\n0.083161 0.813709 0.792927 F\n0.186291 0.083161 0.207073 F\n0.813709 0.916839 0.207073 F\n0.916839 0.186291 0.792927 F\n",
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{
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{
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"structure_string": "Dy2 W2 Cl2 O8\n1.0\n4.955193 3.685271 -1.566537\n4.955193 -3.685271 -1.566537\n0.007572 0.000000 -6.982023\nDy W Cl O\n2 2 2 8\ndirect\n0.777451 0.777451 0.118707 Dy\n0.222549 0.222549 0.881293 Dy\n0.636749 0.636749 0.733992 W\n0.363251 0.363251 0.266008 W\n0.988484 0.988484 0.771525 Cl\n0.011516 0.011516 0.228475 Cl\n0.545595 0.545595 0.195013 O\n0.454405 0.454405 0.804987 O\n0.703608 0.703608 0.464932 O\n0.296392 0.296392 0.535068 O\n0.108544 0.492497 0.154229 O\n0.492497 0.108544 0.154229 O\n0.891456 0.507503 0.845771 O\n0.507503 0.891456 0.845771 O\n",
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