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{
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"results": [
{
"id": "mp-1003856",
"created_at": "2022-09-04T14:43:23.093495Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n-5.362473 -0.013038 3.094064\n5.363580 0.009329 3.099575\n1.775469 5.062147 -3.097438\nMg Mn O\n4 4 8\ndirect\n0.000042 0.000350 0.999773 Mg\n0.500045 0.500340 0.499786 Mg\n0.000040 0.500326 0.999774 Mg\n0.500036 0.500347 0.999757 Mg\n0.000002 0.000319 0.499756 Mn\n0.000007 0.500323 0.499755 Mn\n0.499990 0.000317 0.999719 Mn\n0.500033 0.000335 0.499743 Mn\n0.489843 0.735304 0.244660 O\n0.010136 0.255340 0.244898 O\n0.489919 0.255226 0.244749 O\n0.010197 0.255410 0.764765 O\n0.989939 0.745314 0.754670 O\n0.510239 0.265357 0.754886 O\n0.989887 0.745256 0.234787 O\n0.510156 0.745452 0.754783 O\n",
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"spacegroup": 227
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{
"id": "mp-757730",
"created_at": "2022-09-04T14:40:33.239836Z",
"structure_string": "Li8 Co4 C4 O16\n1.0\n5.093538 0.000000 0.000000\n0.000000 6.698650 0.000000\n0.000000 1.284647 10.739088\nLi Co C O\n8 4 4 16\ndirect\n0.652739 0.883047 0.788895 Li\n0.847261 0.883047 0.288895 Li\n0.820632 0.771508 0.571144 Li\n0.679368 0.771508 0.071144 Li\n0.320632 0.228492 0.928856 Li\n0.179368 0.228492 0.428856 Li\n0.152739 0.116953 0.711105 Li\n0.347261 0.116953 0.211105 Li\n0.866071 0.488366 0.839595 Co\n0.366071 0.511634 0.660405 Co\n0.633929 0.488366 0.339595 Co\n0.133929 0.511634 0.160405 Co\n0.180201 0.808011 0.938036 C\n0.319799 0.808011 0.438036 C\n0.680201 0.191989 0.561964 C\n0.819799 0.191989 0.061964 C\n0.298765 0.939966 0.859413 O\n0.201235 0.939966 0.359413 O\n0.929314 0.771540 0.926068 O\n0.570686 0.771540 0.426068 O\n0.187531 0.713326 0.529854 O\n0.662402 0.640209 0.714834 O\n0.312469 0.713326 0.029854 O\n0.837598 0.640209 0.214834 O\n0.162402 0.359791 0.785166 O\n0.687531 0.286674 0.970146 O\n0.337598 0.359791 0.285166 O\n0.812469 0.286674 0.470146 O\n0.429314 0.228460 0.573932 O\n0.070686 0.228460 0.073932 O\n0.798765 0.060034 0.640587 O\n0.701235 0.060034 0.140587 O\n",
"nsites": 32,
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"elements": [
"Li",
"Co",
"C",
"O"
],
"chemical_system": "C-Co-Li-O",
"density": 2.697778875591177,
"density_atomic": 0.08733246929205099,
"volume": 366.41583891310677,
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"formula_full": "Li8 Co4 C4 O16",
"formula_reduced": "Li2CoCO4",
"formula_anonymous": "ABC2D4",
"energy": -221.18739093,
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"spacegroup": 14
},
{
"id": "mp-23738",
"created_at": "2022-09-04T14:44:57.262654Z",
"structure_string": "Rb6 Mg6 H18\n1.0\n2.964353 -5.134410 0.000000\n2.964353 5.134410 0.000000\n0.000000 0.000000 14.372808\nRb Mg H\n6 6 18\ndirect\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.333333 0.666667 0.404817 Rb\n0.666667 0.333333 0.904817 Rb\n0.666667 0.333333 0.595183 Rb\n0.333333 0.666667 0.095183 Rb\n0.333333 0.666667 0.845799 Mg\n0.666667 0.333333 0.345799 Mg\n0.666667 0.333333 0.154201 Mg\n0.333333 0.666667 0.654201 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.476297 0.952595 0.750000 H\n0.523703 0.476297 0.250000 H\n0.952595 0.476297 0.250000 H\n0.047405 0.523703 0.750000 H\n0.476297 0.523703 0.750000 H\n0.523703 0.047405 0.250000 H\n0.165848 0.834152 0.920142 H\n0.165848 0.331697 0.920142 H\n0.668303 0.834152 0.920142 H\n0.331697 0.165848 0.420142 H\n0.834152 0.668303 0.079858 H\n0.834152 0.165848 0.420142 H\n0.165848 0.331697 0.579858 H\n0.834152 0.165848 0.079858 H\n0.331697 0.165848 0.079858 H\n0.668303 0.834152 0.579858 H\n0.165848 0.834152 0.579858 H\n0.834152 0.668303 0.420142 H\n",
"nsites": 30,
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"elements": [
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],
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"density": 2.568646555366567,
"density_atomic": 0.06856921388447751,
"volume": 437.51413062052484,
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"formula_full": "Rb6 Mg6 H18",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:36:47.008000Z",
"spacegroup": 194
},
{
"id": "mp-29771",
"created_at": "2022-09-04T14:39:29.561841Z",
"structure_string": "Mg2 C4\n1.0\n3.950777 0.000000 0.000000\n0.000000 3.950777 0.000000\n0.000000 0.000000 4.987089\nMg C\n2 4\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.887655 0.887655 0.000000 C\n0.612345 0.387655 0.500000 C\n0.112345 0.112345 0.000000 C\n0.387655 0.612345 0.500000 C\n",
"nsites": 6,
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"elements": [
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"C"
],
"chemical_system": "C-Mg",
"density": 2.0618230241891524,
"density_atomic": 0.077079537136018,
"volume": 77.84167138175896,
"volume_molar": 7.812891700910268,
"formula_full": "Mg2 C4",
"formula_reduced": "MgC2",
"formula_anonymous": "AB2",
"energy": -37.53369415,
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"total_magnetization": 4.99e-05,
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"updated_at": "2021-11-28T01:34:23.995000Z",
"spacegroup": 136
},
{
"id": "mp-5020",
"created_at": "2022-09-04T14:45:14.121316Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n2.894230 -2.877336 0.000000\n2.894230 2.877336 0.000000\n0.033689 0.000000 4.080992\nBa Ti O\n1 1 3\ndirect\n0.002069 0.002069 0.002069 Ba\n0.516440 0.516440 0.516440 Ti\n0.973753 0.484619 0.484619 O\n0.484619 0.973753 0.484619 O\n0.484619 0.484619 0.973753 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 5.696967707935742,
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"volume": 67.97032701923261,
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"formula_full": "Ba1 Ti1 O3",
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"energy": -42.11953491,
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"updated_at": "2021-11-28T01:36:55.255000Z",
"spacegroup": 160
},
{
"id": "mp-1043442",
"created_at": "2022-09-04T14:48:21.849083Z",
"structure_string": "Mg2 Sn4 P4 O20\n1.0\n0.000000 5.799480 8.375202\n3.751992 0.000000 8.375202\n3.751992 5.799480 0.000000\nMg Sn P O\n2 4 4 20\ndirect\n0.503421 0.996579 0.996579 Mg\n0.253421 0.746579 0.746579 Mg\n0.875197 0.379664 0.381495 Sn\n0.363645 0.381495 0.379664 Sn\n0.870336 0.374803 0.886355 Sn\n0.868505 0.886355 0.374803 Sn\n0.038379 0.550664 0.960470 P\n0.699336 0.211621 0.799513 P\n0.450487 0.960470 0.550664 P\n0.289530 0.799513 0.211621 P\n0.571104 0.729721 0.454888 O\n0.663211 0.186642 0.327765 O\n0.304517 0.673432 0.409754 O\n0.795112 0.005713 0.678896 O\n0.223364 0.071023 0.756785 O\n0.428939 0.090406 0.354913 O\n0.063358 0.586789 0.427618 O\n0.822382 0.327765 0.186642 O\n0.922235 0.427618 0.586789 O\n0.178977 0.026636 0.301172 O\n0.244287 0.454888 0.729721 O\n0.493215 0.301172 0.026636 O\n0.948828 0.756785 0.071023 O\n0.159594 0.821061 0.124257 O\n0.125743 0.354913 0.090406 O\n0.895087 0.124257 0.821061 O\n0.840246 0.637704 0.945483 O\n0.612296 0.409754 0.673432 O\n0.520279 0.678896 0.005713 O\n0.576568 0.945483 0.637704 O\n",
"nsites": 30,
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"elements": [
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"P",
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],
"chemical_system": "Mg-O-P-Sn",
"density": 4.40705913275395,
"density_atomic": 0.08230856114902253,
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"volume_molar": 7.3165423814136465,
"formula_full": "Mg2 Sn4 P4 O20",
"formula_reduced": "MgSn2(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy": -212.60001428,
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"updated_at": "2021-11-28T01:39:36.736000Z",
"spacegroup": 43
},
{
"id": "mp-1228164",
"created_at": "2022-09-04T14:44:51.774442Z",
"structure_string": "Al6 Si6 Ag6 O24\n1.0\n6.511815 -6.535068 0.000000\n6.511815 6.535068 0.000000\n-0.046590 0.000000 9.225436\nAl Si Ag O\n6 6 6 24\ndirect\n0.997308 0.749419 0.502663 Al\n0.502663 0.997308 0.749419 Al\n0.749419 0.502663 0.997308 Al\n0.497308 0.002663 0.249419 Al\n0.249419 0.497308 0.002663 Al\n0.002663 0.249419 0.497308 Al\n0.501857 0.748861 0.999110 Si\n0.999110 0.501857 0.748861 Si\n0.748861 0.999110 0.501857 Si\n0.001857 0.499110 0.248861 Si\n0.248861 0.001857 0.499110 Si\n0.499110 0.248861 0.001857 Si\n0.256938 0.742420 0.257149 Ag\n0.742420 0.257149 0.256938 Ag\n0.257149 0.256938 0.742420 Ag\n0.242420 0.756938 0.757149 Ag\n0.757149 0.242420 0.756938 Ag\n0.756938 0.757149 0.242420 Ag\n0.959798 0.639713 0.649842 O\n0.649842 0.959798 0.639713 O\n0.639713 0.649842 0.959798 O\n0.043502 0.641666 0.350000 O\n0.350125 0.953269 0.360460 O\n0.358310 0.651102 0.043890 O\n0.953269 0.360460 0.350125 O\n0.651102 0.043890 0.358310 O\n0.641666 0.350000 0.043502 O\n0.043890 0.358310 0.651102 O\n0.350000 0.043502 0.641666 O\n0.360460 0.350125 0.953269 O\n0.453269 0.850125 0.860460 O\n0.151102 0.858310 0.543890 O\n0.141666 0.543502 0.850000 O\n0.543890 0.151102 0.858310 O\n0.850000 0.141666 0.543502 O\n0.860460 0.453269 0.850125 O\n0.459798 0.149842 0.139713 O\n0.149842 0.139713 0.459798 O\n0.139713 0.459798 0.149842 O\n0.543502 0.850000 0.141666 O\n0.850124 0.860460 0.453269 O\n0.858310 0.543890 0.151102 O\n",
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"formula_full": "Al6 Si6 Ag6 O24",
"formula_reduced": "AlSiAgO4",
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},
{
"id": "mp-8324",
"created_at": "2022-09-04T14:44:07.438731Z",
"structure_string": "Dy8 S8 O4\n1.0\n6.913329 0.000000 0.000000\n0.000000 6.881509 0.000000\n0.000000 1.342022 8.181102\nDy S O\n8 8 4\ndirect\n0.053798 0.250056 0.861779 Dy\n0.553798 0.249944 0.138221 Dy\n0.946202 0.749944 0.138221 Dy\n0.446202 0.750056 0.861779 Dy\n0.143365 0.321318 0.423749 Dy\n0.643365 0.178682 0.576251 Dy\n0.856635 0.678682 0.576251 Dy\n0.356635 0.821318 0.423749 Dy\n0.723105 0.030099 0.924318 S\n0.634369 0.576236 0.319824 S\n0.365631 0.423764 0.680176 S\n0.865631 0.076236 0.319824 S\n0.223105 0.469901 0.075682 S\n0.276895 0.969901 0.075682 S\n0.776895 0.530099 0.924318 S\n0.134369 0.923764 0.680176 S\n0.087196 0.649532 0.382945 O\n0.412804 0.149532 0.382945 O\n0.912804 0.350468 0.617055 O\n0.587196 0.850468 0.617055 O\n",
"nsites": 20,
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],
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"volume": 389.2088569972893,
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"formula_full": "Dy8 S8 O4",
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"spacegroup": 14
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{
"id": "mp-560739",
"created_at": "2022-09-04T14:46:57.639429Z",
"structure_string": "K12 Li12 Te4 O24\n1.0\n6.073841 0.000000 0.000000\n0.000000 9.833974 0.000000\n0.000000 0.000000 11.857585\nK Li Te O\n12 12 4 24\ndirect\n0.750000 0.707463 0.006454 K\n0.750000 0.792537 0.506454 K\n0.750000 0.040899 0.962176 K\n0.750000 0.459101 0.462176 K\n0.250000 0.871947 0.472105 K\n0.250000 0.207463 0.493546 K\n0.250000 0.628053 0.972105 K\n0.750000 0.371947 0.027895 K\n0.750000 0.128053 0.527895 K\n0.250000 0.540899 0.537824 K\n0.250000 0.959101 0.037824 K\n0.250000 0.292537 0.993546 K\n0.250000 0.090669 0.251123 Li\n0.506177 0.835629 0.256626 Li\n0.250000 0.409331 0.751123 Li\n0.493823 0.164371 0.743374 Li\n0.993823 0.664371 0.756626 Li\n0.506177 0.664371 0.756626 Li\n0.493823 0.335629 0.243374 Li\n0.006177 0.335629 0.243374 Li\n0.750000 0.909331 0.748877 Li\n0.993823 0.835629 0.256626 Li\n0.750000 0.590669 0.248877 Li\n0.006177 0.164371 0.743374 Li\n0.250000 0.913103 0.755610 Te\n0.750000 0.086897 0.244390 Te\n0.250000 0.586897 0.255610 Te\n0.750000 0.413103 0.744390 Te\n0.512028 0.161148 0.147073 O\n0.987972 0.161148 0.147073 O\n0.486397 0.514558 0.157893 O\n0.250000 0.737918 0.676079 O\n0.250000 0.090632 0.835516 O\n0.250000 0.762082 0.176079 O\n0.986397 0.014558 0.342107 O\n0.750000 0.590632 0.664484 O\n0.513603 0.485442 0.842107 O\n0.986397 0.485442 0.842107 O\n0.750000 0.237918 0.823921 O\n0.486397 0.985442 0.657893 O\n0.987972 0.338852 0.647073 O\n0.513603 0.014558 0.342107 O\n0.012028 0.661148 0.352927 O\n0.250000 0.409368 0.335516 O\n0.487972 0.661148 0.352927 O\n0.750000 0.262082 0.323921 O\n0.487972 0.838852 0.852927 O\n0.750000 0.909368 0.164484 O\n0.012028 0.838852 0.852927 O\n0.013603 0.514558 0.157893 O\n0.013603 0.985442 0.657893 O\n0.512028 0.338852 0.647073 O\n",
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"formula_full": "K12 Li12 Te4 O24",
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{
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}