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{
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"results": [
{
"id": "mp-1095013",
"created_at": "2022-09-04T14:39:38.638903Z",
"structure_string": "Mg2 Ga2\n1.0\n2.453079 -4.248857 0.000000\n2.453079 4.248857 0.000000\n0.000000 0.000000 5.344272\nMg Ga\n2 2\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n",
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{
"id": "mp-1203963",
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"structure_string": "Rb4 U4 Cr4 N4 O36\n1.0\n10.227406 0.000000 0.000000\n0.000000 7.500833 0.000000\n-7.573413 0.000000 12.306425\nRb U Cr N O\n4 4 4 4 36\ndirect\n0.327886 0.569803 0.315723 Rb\n0.672114 0.069803 0.184277 Rb\n0.672114 0.430197 0.684277 Rb\n0.327886 0.930197 0.815723 Rb\n0.171130 0.201395 0.450424 U\n0.828870 0.701395 0.049576 U\n0.828870 0.798605 0.549576 U\n0.171130 0.298605 0.950424 U\n0.130368 0.074563 0.178923 Cr\n0.869632 0.574563 0.321077 Cr\n0.869632 0.925437 0.821077 Cr\n0.130368 0.425437 0.678923 Cr\n0.352519 0.632198 0.051601 N\n0.647481 0.132198 0.448399 N\n0.647481 0.367802 0.948399 N\n0.352519 0.867802 0.551601 N\n0.163842 0.194361 0.288570 O\n0.836158 0.694361 0.211430 O\n0.836158 0.805639 0.711430 O\n0.163842 0.305639 0.788570 O\n0.353420 0.318286 0.509521 O\n0.646580 0.818286 0.990479 O\n0.646580 0.681714 0.490479 O\n0.353420 0.181714 0.009521 O\n0.991535 0.419867 0.887620 O\n0.008465 0.919867 0.612380 O\n0.008465 0.580133 0.112380 O\n0.991535 0.080133 0.387620 O\n0.304169 0.908661 0.451993 O\n0.695831 0.408661 0.048007 O\n0.695831 0.091339 0.548007 O\n0.304169 0.591339 0.951993 O\n0.960555 0.966941 0.125186 O\n0.039445 0.466941 0.374814 O\n0.039445 0.033059 0.874814 O\n0.960555 0.533059 0.625186 O\n0.133232 0.208014 0.086379 O\n0.866768 0.708014 0.413621 O\n0.866768 0.791986 0.913621 O\n0.133232 0.291986 0.586379 O\n0.264946 0.929512 0.218032 O\n0.735054 0.429512 0.281968 O\n0.735054 0.070488 0.781968 O\n0.264946 0.570488 0.718032 O\n0.313173 0.522346 0.101582 O\n0.686827 0.022346 0.398418 O\n0.686827 0.477654 0.898418 O\n0.313173 0.977654 0.601582 O\n0.430076 0.765380 0.095998 O\n0.569924 0.265380 0.404002 O\n0.569924 0.234620 0.904002 O\n0.430076 0.734620 0.595998 O\n",
"nsites": 52,
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"elements": [
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"U",
"Cr",
"N",
"O"
],
"chemical_system": "Cr-N-O-Rb-U",
"density": 3.753460203364379,
"density_atomic": 0.05508031831202204,
"volume": 944.0758803430931,
"volume_molar": 10.933380460667355,
"formula_full": "Rb4 U4 Cr4 N4 O36",
"formula_reduced": "RbUCrNO9",
"formula_anonymous": "ABCDE9",
"energy": -411.96401035,
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"updated_at": "2021-11-28T01:34:36.759000Z",
"spacegroup": 14
},
{
"id": "mp-758014",
"created_at": "2022-09-04T14:39:38.587654Z",
"structure_string": "Li12 Co6 Si12 O36\n1.0\n0.000000 10.682229 11.550894\n3.174307 0.000000 11.550894\n3.174307 10.682229 0.000000\nLi Co Si O\n12 6 12 36\ndirect\n0.988837 0.988837 0.511163 Li\n0.645031 0.645031 0.854969 Li\n0.106431 0.455116 0.536852 Li\n0.796471 0.062541 0.924543 Li\n0.325457 0.033556 0.453529 Li\n0.713148 0.348399 0.143569 Li\n0.738837 0.738837 0.261163 Li\n0.395031 0.395031 0.604969 Li\n0.348399 0.713148 0.794884 Li\n0.033556 0.325457 0.187459 Li\n0.062541 0.796471 0.216444 Li\n0.455116 0.106431 0.901601 Li\n0.868265 0.868265 0.631735 Co\n0.923273 0.216938 0.744584 Co\n0.505416 0.134796 0.326727 Co\n0.618265 0.618265 0.381735 Co\n0.134796 0.505416 0.033062 Co\n0.216938 0.923273 0.115204 Co\n0.158729 0.158729 0.341271 Si\n0.484956 0.484956 0.015044 Si\n0.560572 0.952038 0.050192 Si\n0.287270 0.573642 0.429415 Si\n0.820585 0.540327 0.962730 Si\n0.199808 0.812802 0.689428 Si\n0.234956 0.234956 0.765044 Si\n0.908729 0.908729 0.091271 Si\n0.812802 0.199808 0.297962 Si\n0.540327 0.820585 0.676358 Si\n0.573642 0.287270 0.709673 Si\n0.952038 0.560572 0.437198 Si\n0.747066 0.294136 0.774784 O\n0.601699 0.023882 0.921807 O\n0.029002 0.826009 0.602708 O\n0.470247 0.415501 0.158220 O\n0.181091 0.068956 0.451184 O\n0.804726 0.675091 0.886249 O\n0.423382 0.977637 0.088238 O\n0.756792 0.490885 0.940307 O\n0.401228 0.117177 0.299033 O\n0.950967 0.067438 0.848772 O\n0.309693 0.437984 0.493208 O\n0.161762 0.739258 0.826618 O\n0.363751 0.616065 0.445274 O\n0.798816 0.951231 0.068909 O\n0.091780 0.293968 0.779753 O\n0.647292 0.707719 0.220998 O\n0.328193 0.797388 0.648301 O\n0.475216 0.065986 0.502934 O\n0.065986 0.475216 0.955864 O\n0.797388 0.328193 0.226118 O\n0.707719 0.647292 0.423991 O\n0.293968 0.091780 0.834499 O\n0.951231 0.798816 0.181044 O\n0.616065 0.363751 0.574909 O\n0.739258 0.161762 0.272363 O\n0.437984 0.309693 0.759115 O\n0.067438 0.950967 0.132823 O\n0.117177 0.401228 0.182562 O\n0.490885 0.756792 0.812016 O\n0.977637 0.423382 0.510742 O\n0.675091 0.804726 0.633935 O\n0.068956 0.181091 0.298769 O\n0.415501 0.470247 0.956032 O\n0.826009 0.029002 0.542281 O\n0.023882 0.601699 0.452612 O\n0.294136 0.747066 0.184014 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.861494165495897,
"density_atomic": 0.08425341844749885,
"volume": 783.3510048156304,
"volume_molar": 7.147651538616915,
"formula_full": "Li12 Co6 Si12 O36",
"formula_reduced": "Li2Co(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -483.95700905,
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"updated_at": "2021-11-28T01:34:29.240000Z",
"spacegroup": 43
},
{
"id": "mp-1224984",
"created_at": "2022-09-04T14:39:38.610454Z",
"structure_string": "Fe2 Co2 B2\n1.0\n0.000000 3.527460 3.598086\n2.097814 0.000000 3.598086\n2.097814 3.527460 0.000000\nFe Co B\n2 2 2\ndirect\n0.835373 0.164627 0.835373 Fe\n0.164627 0.835373 0.164627 Fe\n0.665349 0.665349 0.334651 Co\n0.334651 0.334651 0.665349 Co\n0.250000 0.250000 0.250000 B\n0.750000 0.750000 0.750000 B\n",
"nsites": 6,
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"elements": [
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],
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"volume": 53.2513487739335,
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"formula_full": "Fe2 Co2 B2",
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"updated_at": "2021-11-28T01:34:40.225000Z",
"spacegroup": 69
},
{
"id": "mp-754207",
"created_at": "2022-09-04T14:39:38.619903Z",
"structure_string": "Tb4 Mn4 O14\n1.0\n0.000000 5.034356 5.034356\n5.034356 0.000000 5.034356\n5.034356 5.034356 0.000000\nTb Mn O\n4 4 14\ndirect\n0.125000 0.625000 0.125000 Tb\n0.125000 0.125000 0.625000 Tb\n0.625000 0.125000 0.125000 Tb\n0.125000 0.125000 0.125000 Tb\n0.625000 0.625000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.125000 0.625000 Mn\n0.295673 0.704327 0.704327 O\n0.545673 0.954327 0.954327 O\n0.704327 0.704327 0.295673 O\n0.295673 0.295673 0.704327 O\n0.000000 0.000000 0.000000 O\n0.295673 0.704327 0.295673 O\n0.704327 0.295673 0.704327 O\n0.954327 0.545673 0.954327 O\n0.545673 0.545673 0.954327 O\n0.954327 0.954327 0.545673 O\n0.250000 0.250000 0.250000 O\n0.545673 0.954327 0.545673 O\n0.704327 0.295673 0.295673 O\n0.954327 0.545673 0.545673 O\n",
"nsites": 22,
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"volume": 255.18889114524035,
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"formula_full": "Tb4 Mn4 O14",
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{
"id": "mp-675577",
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"structure_string": "Mn1 In2 Te4\n1.0\n-3.157014 3.157014 6.280465\n3.157014 -3.157014 6.280465\n3.157014 3.157014 -6.280465\nMn In Te\n1 2 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.654775 0.654775 0.530712 Te\n0.875938 0.345225 0.000000 Te\n0.124062 0.124062 0.469288 Te\n0.345225 0.875938 0.000000 Te\n",
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"volume": 250.3829815240005,
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"formula_full": "Mn1 In2 Te4",
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{
"id": "mp-1215788",
"created_at": "2022-09-04T14:39:38.663272Z",
"structure_string": "Zn2 Hg2 Se2 O9\n1.0\n0.137018 0.000000 -4.941713\n0.000000 -6.415785 0.000000\n-8.495844 -3.207893 0.287205\nZn Hg Se O\n2 2 2 9\ndirect\n0.999933 0.495784 0.504356 Zn\n0.999933 0.999860 0.504356 Zn\n0.969209 0.576201 0.847597 Hg\n0.041356 0.424832 0.150335 Hg\n0.479462 0.136892 0.726217 Se\n0.535496 0.865278 0.269445 Se\n0.722439 0.203072 0.593856 O\n0.264837 0.807600 0.384799 O\n0.285443 0.368171 0.696160 O\n0.285443 0.935669 0.696160 O\n0.728388 0.632601 0.303862 O\n0.728388 0.063538 0.303862 O\n0.863178 0.699543 0.600915 O\n0.129928 0.300503 0.398993 O\n0.621569 0.045957 0.908086 O\n",
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"formula_full": "Zn2 Hg2 Se2 O9",
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{
"id": "mp-759119",
"created_at": "2022-09-04T14:39:38.671211Z",
"structure_string": "Li4 V2 O4 F2\n1.0\n2.990921 0.000000 0.000000\n0.000000 5.101086 0.000000\n0.000000 0.111860 7.205801\nLi V O F\n4 2 4 2\ndirect\n0.000000 0.834678 0.323453 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.165322 0.676547 Li\n0.500000 0.300579 0.341163 V\n0.500000 0.699421 0.658837 V\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.821898 0.822960 O\n0.000000 0.178102 0.177040 O\n0.500000 0.653000 0.172356 F\n0.500000 0.347000 0.827644 F\n",
"nsites": 12,
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"density": 3.498770361086863,
"density_atomic": 0.10915192375725011,
"volume": 109.93851126882163,
"volume_molar": 5.517209915047418,
"formula_full": "Li4 V2 O4 F2",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy": -80.59562138,
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"spacegroup": 10
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{
"id": "mp-1105856",
"created_at": "2022-09-04T14:39:38.952157Z",
"structure_string": "Np4 Pt12\n1.0\n2.899680 -5.022392 0.000000\n2.899680 5.022392 0.000000\n0.000000 0.000000 9.841795\nNp Pt\n4 12\ndirect\n0.000000 0.000000 0.500000 Np\n0.000000 0.000000 0.000000 Np\n0.333333 0.666667 0.250000 Np\n0.666667 0.333333 0.750000 Np\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.830287 0.660573 0.250000 Pt\n0.339427 0.169713 0.250000 Pt\n0.830287 0.169713 0.250000 Pt\n0.169713 0.339427 0.750000 Pt\n0.660573 0.830287 0.750000 Pt\n0.169713 0.830287 0.750000 Pt\n",
"nsites": 16,
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"elements": [
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"density": 19.052371330182083,
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"volume": 286.65860956152886,
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"formula_full": "Np4 Pt12",
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{
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"elements": [
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},
{
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"created_at": "2022-09-04T14:39:38.661127Z",
"structure_string": "Cs2 Tm2 Co2 S6\n1.0\n1.963516 -7.787519 0.000000\n1.963516 7.787519 0.000000\n0.000000 0.000000 10.402697\nCs Tm Co S\n2 2 2 6\ndirect\n0.262240 0.737760 0.750000 Cs\n0.737760 0.262240 0.250000 Cs\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.536367 0.463633 0.750000 Co\n0.463633 0.536367 0.250000 Co\n0.388211 0.611789 0.064341 S\n0.611789 0.388211 0.564341 S\n0.388211 0.611789 0.435659 S\n0.611789 0.388211 0.935659 S\n0.953779 0.046221 0.750000 S\n0.046221 0.953779 0.250000 S\n",
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"density_atomic": 0.03772000465310966,
"volume": 318.133576874061,
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"formula_full": "Cs2 Tm2 Co2 S6",
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"updated_at": "2021-11-28T01:34:40.368000Z",
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},
{
"id": "mp-755723",
"created_at": "2022-09-04T14:39:38.663358Z",
"structure_string": "Er4 Pb4 O14\n1.0\n0.000000 5.363160 5.363160\n5.363160 0.000000 5.363160\n5.363160 5.363160 0.000000\nEr Pb O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Er\n0.625000 0.625000 0.625000 Er\n0.625000 0.125000 0.625000 Er\n0.125000 0.625000 0.625000 Er\n0.625000 0.125000 0.125000 Pb\n0.125000 0.125000 0.125000 Pb\n0.125000 0.625000 0.125000 Pb\n0.125000 0.125000 0.625000 Pb\n0.023660 0.476340 0.476340 O\n0.773660 0.773660 0.226340 O\n0.773660 0.226340 0.226340 O\n0.750000 0.750000 0.750000 O\n0.023660 0.476340 0.023660 O\n0.476340 0.023660 0.476340 O\n0.023660 0.023660 0.476340 O\n0.500000 0.500000 0.500000 O\n0.226340 0.226340 0.773660 O\n0.226340 0.773660 0.226340 O\n0.773660 0.226340 0.773660 O\n0.476340 0.023660 0.023660 O\n0.476340 0.476340 0.023660 O\n0.226340 0.773660 0.773660 O\n",
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"updated_at": "2021-11-28T01:34:41.986000Z",
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]
}