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{
"id": "jvasp-98002",
"created_at": "2022-09-04T14:36:03.672632Z",
"updated_at": "2022-09-04T14:36:03.672658Z",
"structure_string": "K2 Mn12 P14 O48\n1.0\n5.380311 0.005261 0.000000\n-1.948399 6.283785 0.000000\n0.000000 0.000000 26.737467\nK Mn P O\n2 12 14 48\ndirect\n0.780765 0.376445 0.750000 K\n0.219235 0.623555 0.250000 K\n0.622870 0.278037 0.316655 Mn\n0.687627 0.684858 0.044670 Mn\n0.312373 0.315143 0.544670 Mn\n0.312373 0.315143 0.955331 Mn\n0.687627 0.684858 0.455331 Mn\n0.377130 0.721964 0.816655 Mn\n0.708679 0.086189 0.598061 Mn\n0.708679 0.086189 0.901939 Mn\n0.291321 0.913812 0.401939 Mn\n0.622870 0.278037 0.183345 Mn\n0.377130 0.721964 0.683346 Mn\n0.291321 0.913812 0.098061 Mn\n0.752067 0.806059 0.167840 P\n0.247933 0.193942 0.667840 P\n0.247933 0.193942 0.832160 P\n0.752067 0.806059 0.332160 P\n0.044816 0.092470 0.250000 P\n0.789977 0.204589 0.024437 P\n0.955184 0.907531 0.750000 P\n0.210022 0.795411 0.975563 P\n0.789977 0.204589 0.475563 P\n0.185769 0.383507 0.110068 P\n0.814231 0.616493 0.610068 P\n0.814231 0.616493 0.889932 P\n0.185769 0.383507 0.389932 P\n0.210022 0.795411 0.524437 P\n0.361272 0.606107 0.095925 O\n0.046280 0.292343 0.441928 O\n0.953720 0.707657 0.941928 O\n0.953720 0.707657 0.558072 O\n0.638728 0.393894 0.595926 O\n0.627562 0.995074 0.451958 O\n0.372438 0.004927 0.548042 O\n0.330108 0.217789 0.250000 O\n0.046280 0.292343 0.058072 O\n0.372438 0.004927 0.951958 O\n0.891503 0.794523 0.118562 O\n0.349423 0.232582 0.122524 O\n0.003082 0.937188 0.296865 O\n-0.003082 0.062812 0.796865 O\n-0.003082 0.062812 0.703136 O\n0.003082 0.937188 0.203136 O\n0.635873 0.596341 0.305440 O\n0.364127 0.403660 0.805440 O\n0.364127 0.403660 0.694560 O\n0.635873 0.596341 0.194560 O\n0.565143 0.943169 0.333760 O\n0.434857 0.056832 0.833760 O\n0.434857 0.056832 0.666241 O\n0.565143 0.943169 0.166241 O\n0.891503 0.794523 0.381438 O\n0.108497 0.205477 0.881438 O\n0.108497 0.205477 0.618562 O\n0.151536 0.782674 0.750000 O\n0.361272 0.606107 0.404075 O\n0.848464 0.217327 0.250000 O\n0.669892 0.782212 0.750000 O\n0.650576 0.767419 0.622524 O\n0.650576 0.767419 0.877477 O\n0.349423 0.232582 0.377476 O\n0.989719 0.386079 0.150150 O\n0.010281 0.613921 0.650150 O\n0.010281 0.613921 0.849850 O\n0.989719 0.386079 0.349850 O\n0.640373 0.369786 0.478157 O\n0.359627 0.630214 0.978157 O\n0.359627 0.630214 0.521843 O\n0.640373 0.369786 0.021843 O\n0.910816 0.173879 0.526083 O\n0.089184 0.826122 0.026083 O\n0.089184 0.826122 0.473917 O\n0.910816 0.173879 0.973918 O\n0.627562 0.995074 0.048042 O\n0.638728 0.393894 0.904075 O\n",
"nsites": 76,
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"density_atomic": 0.08404908286984228,
"volume": 904.2335431273292,
"volume_molar": 7.16502852187672,
"formula_full": "K2 Mn12 P14 O48",
"formula_reduced": "KMn6P7O24",
"formula_anonymous": "AB6C7D24",
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{
"id": "jvasp-21073",
"created_at": "2022-09-04T14:38:30.159347Z",
"updated_at": "2022-09-04T14:38:30.159371Z",
"structure_string": "K1 Ru4 O8\n1.0\n3.090725 0.000000 0.693565\n1.545362 6.987881 0.346782\n0.015317 -0.000000 7.165099\nK Ru O\n1 4 8\ndirect\n0.499999 -0.000000 0.000000 K\n0.167846 0.480284 0.184025 Ru\n0.832153 0.519716 0.815976 Ru\n0.351870 0.815975 0.480284 Ru\n0.648129 0.184025 0.519716 Ru\n0.453026 0.389924 0.704023 O\n0.157049 0.295977 0.389924 O\n0.842950 0.704023 0.610076 O\n0.546973 0.610075 0.295977 O\n0.851439 0.949763 0.347356 O\n0.148560 0.050237 0.652644 O\n0.801202 0.347356 0.050237 O\n0.198797 0.652644 0.949763 O\n",
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{
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"updated_at": "2022-09-04T14:37:10.011941Z",
"structure_string": "Ca1 Ru1 O3\n1.0\n3.903752 0.000000 -0.000000\n0.000000 3.903752 -0.000000\n0.000000 0.000000 3.903752\nCa Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "jvasp-88495",
"created_at": "2022-09-04T14:36:09.005626Z",
"updated_at": "2022-09-04T14:36:09.005652Z",
"structure_string": "Sr4 Mn4 O12\n1.0\n5.471405 -0.002734 0.000000\n-2.716442 4.749445 0.000000\n-0.000000 0.000000 9.160096\nSr Mn O\n4 4 12\ndirect\n0.661293 0.338707 0.250000 Sr\n0.020316 0.020316 0.000000 Sr\n0.338706 0.661293 0.750000 Sr\n0.979684 0.979684 0.500000 Sr\n0.682709 0.347117 0.887572 Mn\n0.652883 0.317291 0.612429 Mn\n0.317291 0.652883 0.387572 Mn\n0.347116 0.682709 0.112429 Mn\n0.818967 0.636121 0.732481 O\n0.550922 0.550922 0.000000 O\n0.449077 0.449078 0.500000 O\n0.049511 0.551829 0.980290 O\n0.950488 0.448171 0.480290 O\n0.821006 0.178994 0.750000 O\n0.178993 0.821006 0.250000 O\n0.181032 0.363879 0.232481 O\n0.448170 0.950488 0.519710 O\n0.636120 0.818967 0.267519 O\n0.363879 0.181033 0.767519 O\n0.551829 0.049511 0.019710 O\n",
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"formula_full": "Sr4 Mn4 O12",
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{
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"created_at": "2022-09-04T14:37:20.021729Z",
"updated_at": "2022-09-04T14:37:20.021759Z",
"structure_string": "Li4 Sm4 O8\n1.0\n0.000000 5.687715 -0.009575\n6.016495 0.000000 0.000000\n0.000000 -1.252168 -5.561136\nLi Sm O\n4 4 8\ndirect\n0.675189 0.360689 0.661560 Li\n0.324810 0.639310 0.338442 Li\n0.175189 0.139311 0.661559 Li\n0.824810 0.860689 0.338442 Li\n0.195745 0.569722 0.798909 Sm\n0.304254 0.069722 0.201092 Sm\n0.804254 0.430278 0.201092 Sm\n0.695745 0.930277 0.798910 Sm\n0.293875 0.867500 0.571892 O\n0.793875 0.632499 0.571892 O\n0.206125 0.367501 0.428110 O\n0.706124 0.132499 0.428110 O\n0.516047 0.738409 0.086500 O\n0.983952 0.238410 0.913502 O\n0.483952 0.261590 0.913502 O\n0.016047 0.761590 0.086500 O\n",
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"formula_full": "Li4 Sm4 O8",
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{
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"created_at": "2022-09-04T14:37:57.610700Z",
"updated_at": "2022-09-04T14:37:57.610721Z",
"structure_string": "Cu2 Pd2 O4\n1.0\n4.228032 0.000000 0.000000\n0.000000 4.256995 0.000000\n0.000000 0.000000 5.288790\nCu Pd O\n2 2 4\ndirect\n0.000000 0.500001 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500001 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.765167 0.250000 0.250000 O\n0.234833 0.750001 0.250000 O\n0.234833 0.750001 0.750000 O\n0.765167 0.250000 0.750000 O\n",
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"formula_full": "Cu2 Pd2 O4",
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},
{
"id": "jvasp-93262",
"created_at": "2022-09-04T14:35:55.665023Z",
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"structure_string": "La1 Ga1 O3\n1.0\n0.000000 3.904170 0.000000\n2.760298 0.000000 2.760381\n2.760298 0.000000 -2.760381\nLa Ga O\n1 1 3\ndirect\n0.500000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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"formula_full": "La1 Ga1 O3",
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{
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"created_at": "2022-09-04T14:36:37.256357Z",
"updated_at": "2022-09-04T14:36:37.256376Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n5.017328 0.000001 0.000000\n-2.508664 1.448377 7.641306\n2.508664 -4.345133 -0.000000\nLi Co P O\n2 2 2 8\ndirect\n0.150011 0.450030 0.150010 Li\n0.425519 0.276557 0.425519 Li\n0.017735 0.053204 0.017734 Co\n0.557771 0.673311 0.557769 Co\n0.869377 0.608131 0.869376 P\n0.706123 0.118370 0.706123 P\n0.148596 0.540707 0.561592 O\n0.013923 0.185790 0.744956 O\n0.426910 0.185790 0.013923 O\n0.639656 0.918965 0.639654 O\n0.830518 0.540707 0.148595 O\n0.561593 0.540707 0.830517 O\n0.744957 0.185790 0.426909 O\n0.935847 0.807536 0.935845 O\n",
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{
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"created_at": "2022-09-04T14:36:59.035903Z",
"updated_at": "2022-09-04T14:36:59.035930Z",
"structure_string": "La1 Ce1 Mn2 O6\n1.0\n4.794421 -0.001627 2.635776\n1.558045 4.534200 2.635776\n-0.002281 -0.001627 5.471177\nLa Ce Mn O\n1 1 2 6\ndirect\n0.500001 0.499999 0.500001 La\n0.000000 0.000000 0.000000 Ce\n0.750153 0.750151 0.750153 Mn\n0.249849 0.249848 0.249849 Mn\n0.065996 0.934005 0.500001 O\n0.500000 0.065994 0.934006 O\n0.934006 0.499999 0.065996 O\n0.000001 0.422861 0.577139 O\n0.577138 -0.000001 0.422863 O\n0.422862 0.577138 0.000001 O\n",
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{
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"created_at": "2022-09-04T14:38:40.712067Z",
"updated_at": "2022-09-04T14:38:40.712088Z",
"structure_string": "K2 P2 H4 O8\n1.0\n7.674986 -0.148438 0.000000\n-5.288816 5.563800 0.000000\n-0.000000 -0.000000 4.542016\nK P H O\n2 2 4 8\ndirect\n0.868752 0.131247 0.250000 K\n0.131247 0.868752 0.750001 K\n0.628399 0.371601 0.250000 P\n0.371601 0.628399 0.750001 P\n0.314763 0.314763 -0.000000 H\n0.685237 0.685237 0.500000 H\n0.689669 0.310331 0.750001 H\n0.310331 0.689669 0.250000 H\n0.360081 0.227493 0.163886 O\n0.227493 0.360081 0.836115 O\n0.639919 0.772506 0.663886 O\n0.772507 0.639919 0.336115 O\n0.612243 0.227745 0.506938 O\n0.227744 0.612243 0.493063 O\n0.387757 0.772255 0.006937 O\n0.772255 0.387757 0.993064 O\n",
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{
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"created_at": "2022-09-04T14:35:54.432717Z",
"updated_at": "2022-09-04T14:35:54.432750Z",
"structure_string": "Rb1 Fe1 O3\n1.0\n3.903902 0.000000 0.000000\n0.000000 3.903902 0.000000\n0.000000 -0.000000 3.903902\nRb Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "jvasp-71654",
"created_at": "2022-09-04T14:36:01.109406Z",
"updated_at": "2022-09-04T14:36:01.109443Z",
"structure_string": "Be1 Cr2 Re1\n1.0\n-1.784015 1.784015 3.738875\n1.784015 -1.784015 3.738875\n1.784015 1.784015 -3.738875\nBe Cr Re\n1 2 1\ndirect\n0.750002 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Cr\n0.250000 0.750002 0.500001 Cr\n0.500001 0.500001 0.000000 Re\n",
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]
}