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"results": [
{
"id": "mp-756688",
"created_at": "2022-09-04T14:47:08.267106Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n-4.781346 -1.976753 0.000000\n0.000000 0.000000 6.358933\n-4.781450 5.930511 0.000000\nLi Mn O F\n8 4 8 4\ndirect\n0.998360 0.250000 0.666118 Li\n0.498359 0.250000 0.166119 Li\n0.001639 0.750000 0.333882 Li\n0.501641 0.750000 0.833880 Li\n0.061264 0.750000 0.687081 Li\n0.561267 0.750000 0.187081 Li\n0.938736 0.250000 0.312919 Li\n0.438732 0.250000 0.812919 Li\n0.500000 0.000000 0.500001 Mn\n0.499999 0.500000 0.500000 Mn\n0.000002 0.000000 0.000000 Mn\n0.000002 0.500000 0.000001 Mn\n0.322737 0.750000 0.440911 O\n0.822750 0.750000 0.940915 O\n0.677263 0.250000 0.559089 O\n0.177250 0.250000 0.059085 O\n0.750003 0.500000 0.249996 O\n0.249997 0.500000 0.750003 O\n0.750003 0.000000 0.249996 O\n0.249997 0.000000 0.750003 O\n0.243743 0.250000 0.414562 F\n0.743760 0.250000 0.914567 F\n0.756256 0.750000 0.585438 F\n0.256240 0.750000 0.085433 F\n",
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"formula_full": "Li8 Mn4 O8 F4",
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"energy": -157.18297038999998,
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"updated_at": "2021-11-28T01:37:59.415000Z",
"spacegroup": 63
},
{
"id": "mp-1175245",
"created_at": "2022-09-04T14:47:08.269507Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.238297 0.000000 0.000000\n2.098573 5.613608 0.000000\n2.051484 1.272819 7.395376\nLi Mn Co O\n7 4 1 12\ndirect\n0.497428 0.171484 0.840943 Li\n0.488893 0.992698 0.497451 Li\n0.506652 0.821575 0.160931 Li\n0.500416 0.661415 0.837431 Li\n0.494893 0.504785 0.495515 Li\n0.515507 0.347483 0.166474 Li\n0.995976 0.498694 0.001466 Li\n0.000810 0.999987 0.997702 Mn\n0.998502 0.168371 0.330078 Mn\n0.994463 0.661181 0.329046 Mn\n0.003768 0.341487 0.669878 Mn\n0.003546 0.834683 0.671468 Co\n0.768516 0.319767 0.905693 O\n0.799673 0.167541 0.589767 O\n0.758752 0.981563 0.236222 O\n0.792568 0.849663 0.907324 O\n0.762690 0.649918 0.578648 O\n0.757321 0.479499 0.254205 O\n0.242210 0.023264 0.761277 O\n0.222785 0.847878 0.431044 O\n0.232756 0.680964 0.086976 O\n0.212229 0.505099 0.737690 O\n0.236454 0.347283 0.427221 O\n0.213195 0.143718 0.085554 O\n",
"nsites": 24,
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"elements": [
"Li",
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.965024127270967,
"density_atomic": 0.11036180157226352,
"volume": 217.46654782801005,
"volume_molar": 5.456725673381454,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -165.9076269,
"energy_per_atom": -6.9128177875,
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"updated_at": "2021-11-28T01:37:56.337000Z",
"spacegroup": 1
},
{
"id": "mp-1226946",
"created_at": "2022-09-04T14:47:08.276874Z",
"structure_string": "Ce2 Y2 Fe34\n1.0\n4.243140 -7.349334 0.000000\n4.243140 7.349334 0.000000\n0.000000 0.000000 8.310191\nCe Y Fe\n2 2 34\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.333333 0.666667 0.393379 Fe\n0.666667 0.333333 0.606621 Fe\n0.666667 0.333333 0.893379 Fe\n0.333333 0.666667 0.106621 Fe\n0.165724 0.834276 0.513286 Fe\n0.165724 0.331449 0.513286 Fe\n0.668551 0.834276 0.513286 Fe\n0.834276 0.165724 0.486714 Fe\n0.834276 0.668551 0.486714 Fe\n0.331449 0.165724 0.486714 Fe\n0.834276 0.165724 0.013286 Fe\n0.834276 0.668551 0.013286 Fe\n0.331449 0.165724 0.013286 Fe\n0.165724 0.834276 0.986714 Fe\n0.165724 0.331449 0.986714 Fe\n0.668551 0.834276 0.986714 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.329327 0.367776 0.250000 Fe\n0.632224 0.961550 0.250000 Fe\n0.038450 0.670673 0.250000 Fe\n0.632224 0.670673 0.250000 Fe\n0.038450 0.367776 0.250000 Fe\n0.329327 0.961550 0.250000 Fe\n0.670673 0.632224 0.750000 Fe\n0.367776 0.038450 0.750000 Fe\n0.961550 0.329327 0.750000 Fe\n0.367776 0.329327 0.750000 Fe\n0.961550 0.632224 0.750000 Fe\n0.670673 0.038450 0.750000 Fe\n",
"nsites": 38,
"nelements": 3,
"elements": [
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"Y",
"Fe"
],
"chemical_system": "Ce-Fe-Y",
"density": 7.550759418417771,
"density_atomic": 0.07331743268249392,
"volume": 518.2941983874634,
"volume_molar": 8.213791099422815,
"formula_full": "Ce2 Y2 Fe34",
"formula_reduced": "CeYFe17",
"formula_anonymous": "ABC17",
"energy": -312.62200456,
"energy_per_atom": -8.226894856842105,
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"updated_at": "2021-11-28T01:37:54.857000Z",
"spacegroup": 194
},
{
"id": "mp-779090",
"created_at": "2022-09-04T14:47:08.279551Z",
"structure_string": "V6 O12 F6\n1.0\n5.042703 0.000000 0.000000\n2.366271 4.669472 0.000000\n0.402323 0.081401 12.523439\nV O F\n6 12 6\ndirect\n0.372807 0.319249 0.339965 V\n0.274377 0.393184 0.840227 V\n0.725623 0.606816 0.159773 V\n0.627193 0.680751 0.660035 V\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.484951 0.470428 0.720791 O\n0.603822 0.191423 0.448068 O\n0.250280 0.671306 0.918994 O\n0.866873 0.863150 0.608902 O\n0.051075 0.465620 0.219242 O\n0.202625 0.182655 0.944399 O\n0.797375 0.817345 0.055601 O\n0.948925 0.534380 0.780758 O\n0.133127 0.136850 0.391098 O\n0.749720 0.328694 0.081006 O\n0.396178 0.808577 0.551932 O\n0.515049 0.529572 0.279209 O\n0.735604 0.135147 0.884468 F\n0.068427 0.661100 0.417921 F\n0.591079 0.008155 0.251958 F\n0.931573 0.338900 0.582079 F\n0.408921 0.991845 0.748042 F\n0.264396 0.864853 0.115532 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.4441708106302182,
"density_atomic": 0.08138726814906636,
"volume": 294.88641830368795,
"volume_molar": 7.399364663487706,
"formula_full": "V6 O12 F6",
"formula_reduced": "VO2F",
"formula_anonymous": "ABC2",
"energy": -182.87803327,
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"updated_at": "2021-11-28T01:37:54.529000Z",
"spacegroup": 2
},
{
"id": "mp-1213759",
"created_at": "2022-09-04T14:47:08.320947Z",
"structure_string": "Cs12 Ir4 Br24 O4\n1.0\n7.637021 0.000000 0.000000\n0.000000 13.413389 0.000000\n0.000000 0.000000 15.952445\nCs Ir Br O\n12 4 24 4\ndirect\n0.250000 0.887359 0.538845 Cs\n0.750000 0.112641 0.461155 Cs\n0.750000 0.612641 0.038845 Cs\n0.250000 0.387359 0.961155 Cs\n0.250000 0.559561 0.643363 Cs\n0.750000 0.440439 0.356637 Cs\n0.750000 0.940439 0.143363 Cs\n0.250000 0.059561 0.856637 Cs\n0.250000 0.665766 0.273817 Cs\n0.750000 0.334234 0.726183 Cs\n0.750000 0.834234 0.773817 Cs\n0.250000 0.165766 0.226183 Cs\n0.250000 0.724452 0.904960 Ir\n0.750000 0.275548 0.095040 Ir\n0.750000 0.775548 0.404960 Ir\n0.250000 0.224452 0.595040 Ir\n0.019603 0.607188 0.849302 Br\n0.980397 0.392812 0.150698 Br\n0.980397 0.892812 0.349302 Br\n0.519603 0.392812 0.150698 Br\n0.019603 0.107188 0.650698 Br\n0.480397 0.607188 0.849302 Br\n0.480397 0.107188 0.650698 Br\n0.519603 0.892812 0.349302 Br\n0.250000 0.637165 0.044252 Br\n0.750000 0.362835 0.955748 Br\n0.750000 0.862835 0.544252 Br\n0.250000 0.137165 0.455748 Br\n0.020995 0.841365 0.960726 Br\n0.979005 0.158635 0.039274 Br\n0.979005 0.658635 0.460726 Br\n0.520995 0.158635 0.039274 Br\n0.020995 0.341365 0.539274 Br\n0.479005 0.841365 0.960726 Br\n0.479005 0.341365 0.539274 Br\n0.520995 0.658635 0.460726 Br\n0.250000 0.812102 0.763521 Br\n0.750000 0.187898 0.236479 Br\n0.750000 0.687898 0.263521 Br\n0.250000 0.312102 0.736479 Br\n0.250000 0.939400 0.160557 O\n0.750000 0.060600 0.839443 O\n0.750000 0.560600 0.660557 O\n0.250000 0.439400 0.339443 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"Ir",
"Br",
"O"
],
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"density": 4.415621077895672,
"density_atomic": 0.026925446634298616,
"volume": 1634.14188063834,
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"formula_full": "Cs12 Ir4 Br24 O4",
"formula_reduced": "Cs3IrBr6O",
"formula_anonymous": "ABC3D6",
"energy": -159.42609362,
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"updated_at": "2021-11-28T01:37:54.003000Z",
"spacegroup": 62
},
{
"id": "mp-768710",
"created_at": "2022-09-04T14:47:08.337634Z",
"structure_string": "Rb12 Fe4 O12\n1.0\n12.501079 0.000000 0.000000\n0.000000 5.042712 0.000000\n0.000000 2.600255 11.291224\nRb Fe O\n12 4 12\ndirect\n0.415131 0.895240 0.638801 Rb\n0.989526 0.729954 0.623330 Rb\n0.234543 0.508758 0.962909 Rb\n0.084869 0.895240 0.138801 Rb\n0.510474 0.729954 0.123330 Rb\n0.734543 0.491242 0.537091 Rb\n0.265457 0.508758 0.462909 Rb\n0.489526 0.270046 0.876670 Rb\n0.915131 0.104760 0.861199 Rb\n0.765457 0.491242 0.037091 Rb\n0.010474 0.270046 0.376670 Rb\n0.584869 0.104760 0.361199 Rb\n0.682400 0.805420 0.757040 Fe\n0.817600 0.805420 0.257040 Fe\n0.182400 0.194580 0.742960 Fe\n0.317600 0.194580 0.242960 Fe\n0.636680 0.951522 0.607137 O\n0.588558 0.766955 0.882672 O\n0.863320 0.951522 0.107137 O\n0.814959 0.641897 0.783347 O\n0.911442 0.766955 0.382672 O\n0.685041 0.641897 0.283347 O\n0.314959 0.358103 0.716653 O\n0.088558 0.233045 0.617328 O\n0.185041 0.358103 0.216653 O\n0.136680 0.048478 0.892863 O\n0.411442 0.233045 0.117328 O\n0.363320 0.048478 0.392863 O\n",
"nsites": 28,
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"elements": [
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"density": 3.3616793869019,
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"volume": 711.7913210172295,
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"formula_full": "Rb12 Fe4 O12",
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"energy": -146.39199829,
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{
"id": "mp-752393",
"created_at": "2022-09-04T14:47:08.358868Z",
"structure_string": "Be4 P4 O14\n1.0\n3.707899 3.328984 0.000000\n-3.707899 3.328984 0.000000\n0.000000 3.133493 8.320651\nBe P O\n4 4 14\ndirect\n0.608519 0.272447 0.472599 Be\n0.727553 0.391481 0.027401 Be\n0.272447 0.608519 0.972599 Be\n0.391481 0.727553 0.527401 Be\n0.794277 0.812434 0.204204 P\n0.812434 0.794277 0.704204 P\n0.187566 0.205723 0.295796 P\n0.205723 0.187566 0.795796 P\n0.945326 0.302646 0.395123 O\n0.886578 0.601764 0.108957 O\n0.578476 0.649201 0.364911 O\n0.072259 0.927741 0.250000 O\n0.302646 0.945326 0.895123 O\n0.601764 0.886578 0.608957 O\n0.649201 0.578476 0.864911 O\n0.350799 0.421524 0.135089 O\n0.398236 0.113422 0.391043 O\n0.697354 0.054674 0.104877 O\n0.927741 0.072259 0.750000 O\n0.421524 0.350799 0.635089 O\n0.113422 0.398236 0.891043 O\n0.054674 0.697354 0.604877 O\n",
"nsites": 22,
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"elements": [
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"formula_full": "Be4 P4 O14",
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"energy": -166.62804993,
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"spacegroup": 15
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{
"id": "mp-1217585",
"created_at": "2022-09-04T14:47:08.995564Z",
"structure_string": "Tb1 Dy3 Fe8\n1.0\n-3.643925 -3.643925 0.000000\n0.000000 3.643925 -3.643925\n3.645796 -3.645796 -7.289721\nTb Dy Fe\n1 3 8\ndirect\n0.874983 0.749966 0.375051 Tb\n0.374936 0.749872 0.875192 Dy\n0.000038 0.000077 0.999885 Dy\n0.500047 0.000094 0.499858 Dy\n0.437546 0.375146 0.187308 Fe\n0.937544 0.374794 0.687661 Fe\n0.437546 0.875092 0.187308 Fe\n0.937544 0.875088 0.687661 Fe\n0.187447 0.374893 0.437660 Fe\n0.687518 0.375037 0.937445 Fe\n0.937600 0.375146 0.187308 Fe\n0.437250 0.374794 0.687661 Fe\n",
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],
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"density": 9.375780008448745,
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"volume": 193.61343579670208,
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"formula_full": "Tb1 Dy3 Fe8",
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{
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