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"results": [
{
"id": "jvasp-33004",
"created_at": "2022-09-04T14:37:31.800923Z",
"updated_at": "2022-09-04T14:37:31.800942Z",
"structure_string": "H20 N4 O4\n1.0\n4.353886 0.000000 0.000000\n0.000000 5.641093 0.000000\n0.000000 0.000000 9.358971\nH N O\n20 4 4\ndirect\n0.741656 0.706045 0.330827 H\n0.257050 0.873294 0.907628 H\n0.959654 0.865951 0.132551 H\n0.582119 0.880620 0.129063 H\n0.453472 0.230409 0.019259 H\n0.258345 0.206046 0.169173 H\n0.540347 0.134048 0.632551 H\n0.917882 0.119380 0.629062 H\n0.241655 0.793954 0.669173 H\n0.046528 0.769591 0.519259 H\n0.242951 0.126706 0.407628 H\n0.757050 0.626705 0.092372 H\n0.082119 0.619380 0.870937 H\n0.417882 0.380620 0.370937 H\n0.742951 0.373294 0.592372 H\n0.040347 0.365951 0.367449 H\n0.546529 0.730408 0.480741 H\n0.953472 0.269591 0.980741 H\n0.459653 0.634048 0.867449 H\n0.758346 0.293954 0.830827 H\n0.763627 0.773498 0.157443 N\n0.736375 0.226502 0.657443 N\n0.263626 0.726501 0.842557 N\n0.236374 0.273498 0.342557 N\n0.232406 0.845846 0.563502 O\n0.732406 0.654153 0.436498 O\n0.767595 0.345846 0.936498 O\n0.267594 0.154154 0.063502 O\n",
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{
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"structure_string": "K2 Ti1 Cl6\n1.0\n5.954463 -0.000000 3.437811\n1.984821 5.613921 3.437811\n0.000000 0.000000 6.875621\nK Ti Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Ti\n0.241988 0.758012 0.758012 Cl\n0.241988 0.758012 0.241988 Cl\n0.758011 0.241988 0.758012 Cl\n0.758011 0.241988 0.241988 Cl\n0.758011 0.758012 0.241988 Cl\n0.241988 0.241988 0.758012 Cl\n",
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"spacegroup": 225
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{
"id": "jvasp-12888",
"created_at": "2022-09-04T14:38:34.059096Z",
"updated_at": "2022-09-04T14:38:34.059124Z",
"structure_string": "Li4 Bi4 O8\n1.0\n4.594341 -0.000022 -1.223144\n-0.376854 5.073923 -1.415454\n0.153696 0.001783 9.817943\nLi Bi O\n4 4 8\ndirect\n0.999260 0.249257 0.498514 Li\n0.500743 0.750744 0.501488 Li\n0.000742 0.750742 0.501486 Li\n0.499259 0.249255 0.498513 Li\n0.088564 0.333174 0.177188 Bi\n0.911437 0.666825 0.822813 Bi\n0.411438 0.155992 0.822812 Bi\n0.588563 0.844007 0.177188 Bi\n0.202539 0.453841 0.405081 O\n0.797463 0.546159 0.594920 O\n0.297464 0.048764 0.594921 O\n0.702538 0.951235 0.405080 O\n0.079694 0.915421 0.158922 O\n0.920308 0.084578 0.841079 O\n0.420304 0.756512 0.841078 O\n0.579697 0.243487 0.158923 O\n",
"nsites": 16,
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"density_atomic": 0.06961499745814845,
"volume": 229.83553234515267,
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"formula_full": "Li4 Bi4 O8",
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{
"id": "jvasp-23479",
"created_at": "2022-09-04T14:37:33.492188Z",
"updated_at": "2022-09-04T14:37:33.492202Z",
"structure_string": "Ca4 In2 Pd4\n1.0\n5.702086 0.000000 0.000000\n-2.851043 4.933885 -1.312895\n0.000000 -0.044616 8.181265\nCa In Pd\n4 2 4\ndirect\n0.201742 0.702031 0.350355 Ca\n0.499712 0.297968 0.149644 Ca\n0.798258 0.297968 0.649643 Ca\n0.500289 0.702030 0.850355 Ca\n0.837908 -0.000000 0.250000 In\n0.162092 -0.000001 0.749999 In\n0.996337 0.269129 0.002313 Pd\n0.727207 0.730869 0.497686 Pd\n0.003664 0.730869 0.997686 Pd\n0.272793 0.269129 0.502312 Pd\n",
"nsites": 10,
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],
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"volume": 229.83309396258147,
"volume_molar": 13.840872431489718,
"formula_full": "Ca4 In2 Pd4",
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{
"id": "jvasp-46172",
"created_at": "2022-09-04T14:38:08.700537Z",
"updated_at": "2022-09-04T14:38:08.700560Z",
"structure_string": "Sr4 Li4 Ni2 O8\n1.0\n5.346437 0.002674 -0.041830\n-0.769044 5.436157 0.000131\n-0.997971 -2.444380 7.917359\nSr Li Ni O\n4 4 2 8\ndirect\n0.272653 0.782010 0.023117 Sr\n0.832710 0.845788 0.305236 Sr\n0.167291 0.154212 0.694764 Sr\n0.727349 0.217989 0.976883 Sr\n0.801478 0.377704 0.454426 Li\n0.413425 0.117257 0.412054 Li\n0.586576 0.882743 0.587946 Li\n0.198523 0.622296 0.545574 Li\n0.708839 0.608353 0.756125 Ni\n0.291162 0.391647 0.243875 Ni\n0.576496 0.189207 0.239301 O\n0.212267 0.297572 0.997894 O\n0.126665 0.269928 0.423860 O\n0.323850 0.757678 0.360925 O\n0.676152 0.242322 0.639075 O\n0.873337 0.730072 0.576140 O\n0.787735 0.702428 0.002106 O\n0.423506 0.810793 0.760699 O\n",
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"O"
],
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"density_atomic": 0.07832110530608075,
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"formula_full": "Sr4 Li4 Ni2 O8",
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},
{
"id": "jvasp-3342",
"created_at": "2022-09-04T14:35:49.919347Z",
"updated_at": "2022-09-04T14:35:49.919371Z",
"structure_string": "Ga2 Hg1 Te4\n1.0\n5.655916 -0.000000 -2.530076\n-1.131785 5.541520 -2.530076\n-0.075971 -0.093056 7.417031\nGa Hg Te\n2 1 4\ndirect\n0.500000 0.500000 -0.000001 Ga\n0.249999 0.750000 0.499999 Ga\n0.000000 0.000000 0.000000 Hg\n0.420656 0.388300 0.280227 Te\n0.611700 0.140428 0.719772 Te\n0.108072 0.579344 0.719772 Te\n0.859572 0.891927 0.280226 Te\n",
"nsites": 7,
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],
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"density_atomic": 0.030460726502600174,
"volume": 229.80410527642763,
"volume_molar": 19.77018098857866,
"formula_full": "Ga2 Hg1 Te4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 82
},
{
"id": "jvasp-118974",
"created_at": "2022-09-04T14:38:31.341473Z",
"updated_at": "2022-09-04T14:38:31.341493Z",
"structure_string": "Ca4 Fe2 Os2 O12\n1.0\n5.571793 0.000000 0.000000\n-0.000000 4.399933 3.082192\n-0.000000 -0.012842 9.363963\nCa Fe Os O\n4 2 2 12\ndirect\n0.442349 0.765272 0.749151 Ca\n0.057651 0.765272 0.249151 Ca\n0.557650 0.234728 0.250848 Ca\n0.942349 0.234728 0.750848 Ca\n0.000000 0.000000 0.500000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 Os\n0.000000 0.500000 -0.000000 Os\n0.972181 0.347468 0.247371 O\n0.527818 0.347468 0.747371 O\n0.205690 0.256875 0.549556 O\n0.294310 0.256875 0.049556 O\n0.794310 0.743124 0.450443 O\n0.800720 0.154675 0.048202 O\n0.199279 0.845325 0.951798 O\n0.300720 0.845324 0.451798 O\n0.472181 0.652532 0.252629 O\n0.699279 0.154676 0.548201 O\n0.705690 0.743125 0.950443 O\n0.027818 0.652532 0.752629 O\n",
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"formula_full": "Ca4 Fe2 Os2 O12",
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"spacegroup": 14
},
{
"id": "jvasp-110507",
"created_at": "2022-09-04T14:38:39.466112Z",
"updated_at": "2022-09-04T14:38:39.466139Z",
"structure_string": "Pr4 Ge4 Ru2\n1.0\n5.370464 0.014499 2.817722\n3.588989 3.995153 2.817722\n-0.007876 -0.003525 10.730630\nPr Ge Ru\n4 4 2\ndirect\n0.004478 0.004478 0.326120 Pr\n0.995521 0.995522 0.673880 Pr\n0.815028 0.815029 0.107625 Pr\n0.184970 0.184972 0.892375 Pr\n0.657453 0.657454 0.430282 Ge\n0.342546 0.342547 0.569718 Ge\n0.504083 0.504083 0.128973 Ge\n0.495915 0.495918 0.871027 Ge\n0.722539 0.722541 0.623251 Ru\n0.277459 0.277460 0.376749 Ru\n",
"nsites": 10,
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],
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"formula_full": "Pr4 Ge4 Ru2",
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{
"id": "jvasp-109206",
"created_at": "2022-09-04T14:38:16.791227Z",
"updated_at": "2022-09-04T14:38:16.791253Z",
"structure_string": "Ag2 Sb2 Te4\n1.0\n6.136205 0.000000 0.000000\n0.000000 6.136205 0.000000\n0.000000 0.000000 6.102123\nAg Sb Te\n2 2 4\ndirect\n-0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n-0.000000 0.500000 -0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.500000 0.000000 -0.000000 Te\n0.000000 0.000000 0.000000 Te\n",
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"volume": 229.7633093364082,
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"formula_full": "Ag2 Sb2 Te4",
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{
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"created_at": "2022-09-04T14:35:49.360265Z",
"updated_at": "2022-09-04T14:35:49.360297Z",
"structure_string": "Na4 Mg2 Pb2\n1.0\n-2.560589 -4.434920 0.000000\n-2.560589 4.434920 -0.000000\n0.000000 0.000000 -10.116342\nNa Mg Pb\n4 2 2\ndirect\n0.666675 0.333326 0.078895 Na\n0.333326 0.666675 0.921104 Na\n0.333326 0.666675 0.578895 Na\n0.666675 0.333326 0.421105 Na\n-0.000012 0.000012 0.750000 Mg\n0.000012 -0.000012 0.250000 Mg\n0.666655 0.333346 0.750000 Pb\n0.333346 0.666655 0.250000 Pb\n",
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{
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"created_at": "2022-09-04T14:38:51.754848Z",
"updated_at": "2022-09-04T14:38:51.754871Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.812718 0.101589 -0.278694\n-0.133046 5.675239 0.686121\n0.007166 -0.103930 14.368233\nLi Mn Co O\n8 2 4 14\ndirect\n0.998594 0.495028 0.997142 Li\n0.575117 0.213727 0.150027 Li\n0.153546 0.940293 0.306943 Li\n0.424509 0.783142 0.849061 Li\n0.854246 0.075529 0.708496 Li\n0.277971 0.351143 0.556342 Li\n0.715377 0.641596 0.430859 Li\n0.715354 0.146286 0.430765 Li\n-0.000915 -0.002645 0.998123 Mn\n0.572574 0.713811 0.144950 Mn\n0.856629 0.570083 0.713349 Co\n0.428119 0.284563 0.856198 Co\n0.144923 0.424727 0.289622 Co\n0.284153 0.862645 0.568615 Co\n0.790135 0.625802 0.580015 O\n0.497427 0.231718 0.995260 O\n0.067683 0.951887 0.135653 O\n0.638365 0.668633 0.277042 O\n0.925305 0.512816 0.851070 O\n0.353932 0.799184 0.708448 O\n0.786170 0.083556 0.573129 O\n0.208759 0.400902 0.417470 O\n0.502039 0.760508 0.003553 O\n0.072931 0.483272 0.145204 O\n0.643337 0.206027 0.285953 O\n0.931668 0.048348 0.862793 O\n0.361489 0.339747 0.722624 O\n0.220568 0.887675 0.441295 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "jvasp-52832",
"created_at": "2022-09-04T14:36:35.889323Z",
"updated_at": "2022-09-04T14:36:35.889348Z",
"structure_string": "Na2 As2 H8 O10\n1.0\n0.000000 5.445667 0.020948\n7.131565 0.000000 0.000000\n0.000000 -0.272920 -5.917134\nNa As H O\n2 2 8 10\ndirect\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.312990 0.250000 0.523611 As\n0.687011 0.750001 0.476388 As\n0.451923 0.750001 0.038172 H\n0.323099 0.750001 0.792246 H\n0.676902 0.250000 0.207753 H\n0.548078 0.250000 0.961827 H\n0.746304 0.438575 0.582783 H\n0.746304 0.061426 0.582783 H\n0.253696 0.561426 0.417216 H\n0.253696 0.938575 0.417216 H\n0.710974 0.250000 0.044134 O\n0.192864 0.433764 0.355494 O\n0.807136 0.933765 0.644505 O\n0.807136 0.566236 0.644505 O\n0.192864 0.066236 0.355494 O\n0.234613 0.250000 0.794194 O\n0.765388 0.750001 0.205805 O\n0.627167 0.250000 0.496663 O\n0.372833 0.750001 0.503337 O\n0.289026 0.750001 0.955865 O\n",
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],
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"formula_full": "Na2 As2 H8 O10",
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"spacegroup": 11
}
]
}