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{
"id": "jvasp-9403",
"created_at": "2022-09-04T14:37:06.456492Z",
"updated_at": "2022-09-04T14:37:06.456517Z",
"structure_string": "K4 Sb2 F10\n1.0\n5.736147 0.000000 -2.623291\n-0.000000 6.557540 -0.000000\n-0.131457 -0.000000 7.295592\nK Sb F\n4 2 10\ndirect\n0.755670 0.750000 0.511341 K\n0.244329 0.250000 0.488659 K\n0.556219 0.250000 0.112436 K\n0.443781 0.750000 0.887564 K\n0.087921 0.750000 0.175843 Sb\n0.912079 0.250000 0.824157 Sb\n0.355952 0.530078 0.234160 F\n0.121793 0.469922 0.765840 F\n0.644048 0.030078 0.765840 F\n0.878207 0.969922 0.234160 F\n0.644048 0.469922 0.765840 F\n0.878207 0.530078 0.234160 F\n0.761384 0.250000 0.522769 F\n0.238615 0.750000 0.477231 F\n0.121793 0.030078 0.765840 F\n0.355952 0.969922 0.234160 F\n",
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{
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"updated_at": "2022-09-04T14:37:06.471801Z",
"structure_string": "Tb6 Sb2 O14\n1.0\n5.297648 3.742996 0.000000\n-5.297648 3.742996 0.000000\n0.000000 0.000000 7.540564\nTb Sb O\n6 2 14\ndirect\n0.000077 0.467655 0.500020 Tb\n0.532346 -0.000076 0.499980 Tb\n0.500031 0.500031 0.750000 Tb\n0.499970 0.499970 0.250000 Tb\n-0.000076 0.532346 0.000020 Tb\n0.467655 0.000077 -0.000020 Tb\n0.000006 0.000006 0.250000 Sb\n-0.000006 -0.000006 0.750000 Sb\n0.321761 0.072871 0.279959 O\n0.927130 0.678240 0.720040 O\n0.630172 0.369829 0.000000 O\n0.927182 0.678277 0.279997 O\n0.321724 0.072819 0.720002 O\n0.072819 0.321724 0.779997 O\n0.072871 0.321761 0.220040 O\n0.369829 0.630172 0.500000 O\n0.678240 0.927130 0.779959 O\n0.636470 0.363532 0.500000 O\n0.363532 0.636470 0.000000 O\n0.070006 0.929995 0.000000 O\n0.678277 0.927182 0.220002 O\n0.929995 0.070006 0.500000 O\n",
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{
"id": "jvasp-79601",
"created_at": "2022-09-04T14:37:06.489291Z",
"updated_at": "2022-09-04T14:37:06.489318Z",
"structure_string": "Mo4\n1.0\n-1.293708 -2.682650 -0.000000\n-1.293708 2.682650 0.000000\n0.000000 0.000000 -9.272075\nMo\n4\ndirect\n0.000000 -0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.735888 0.264113 0.750000 Mo\n0.264113 0.735888 0.250000 Mo\n",
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{
"id": "jvasp-11752",
"created_at": "2022-09-04T14:37:06.593516Z",
"updated_at": "2022-09-04T14:37:06.593549Z",
"structure_string": "Na4 Fe2 O8\n1.0\n5.431283 0.094009 0.000000\n-2.423066 4.861730 0.000000\n0.000000 -0.000000 7.177625\nNa Fe O\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.813849 0.186151 0.250000 Na\n0.186150 0.813850 0.750001 Na\n0.854578 0.145422 0.750001 Fe\n0.145421 0.854579 0.250000 Fe\n0.750175 0.249825 0.937046 O\n0.249824 0.750175 0.437045 O\n0.249824 0.750175 0.062955 O\n0.750175 0.249825 0.562955 O\n0.194819 0.272806 0.750001 O\n0.805180 0.727194 0.250000 O\n0.727193 0.805181 0.750001 O\n0.272806 0.194819 0.250000 O\n",
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"volume": 191.16327654921204,
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{
"id": "jvasp-8748",
"created_at": "2022-09-04T14:37:06.941360Z",
"updated_at": "2022-09-04T14:37:06.941386Z",
"structure_string": "K2 Cl2 O4\n1.0\n4.420452 0.026274 -0.000000\n-0.139712 4.418322 0.000000\n-0.000000 0.000000 7.248527\nK Cl O\n2 2 4\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.469446 0.530553 0.750000 Cl\n0.530554 0.469446 0.250000 Cl\n0.529770 0.886441 0.750000 O\n0.470231 0.113557 0.250000 O\n0.113558 0.470230 0.750000 O\n0.886442 0.529768 0.250000 O\n",
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"volume": 141.59744603999013,
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"formula_full": "K2 Cl2 O4",
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"spacegroup": 63
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{
"id": "jvasp-10354",
"created_at": "2022-09-04T14:37:06.909394Z",
"updated_at": "2022-09-04T14:37:06.909417Z",
"structure_string": "Cr4 O10\n1.0\n11.094020 0.000000 0.000000\n0.000000 5.007670 -1.775476\n0.000000 -0.000000 3.550952\nCr O\n4 10\ndirect\n0.148085 0.902233 0.951115 Cr\n0.351915 0.097767 0.548883 Cr\n0.648085 0.097767 0.548883 Cr\n0.851915 0.902233 0.951115 Cr\n0.000000 0.023488 0.011745 O\n0.133799 0.590078 0.795038 O\n0.182620 0.001961 0.500980 O\n0.317380 0.998037 0.999016 O\n0.366201 0.409922 0.704960 O\n0.500000 0.976512 0.488254 O\n0.633799 0.409922 0.704960 O\n0.866201 0.590078 0.795038 O\n0.682620 0.998037 0.999016 O\n0.817380 0.001961 0.500980 O\n",
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"elements": [
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"volume": 197.27381706552902,
"volume_molar": 8.48579067593647,
"formula_full": "Cr4 O10",
"formula_reduced": "Cr2O5",
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"spacegroup": 63
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{
"id": "jvasp-79603",
"created_at": "2022-09-04T14:37:06.911682Z",
"updated_at": "2022-09-04T14:37:06.911719Z",
"structure_string": "Np2 Pt2\n1.0\n-3.929995 0.000000 0.000000\n0.000000 0.000000 -4.307786\n1.964997 -5.289810 -0.000000\nNp Pt\n2 2\ndirect\n0.865492 0.750001 0.730987 Np\n0.134506 0.250000 0.269013 Np\n0.596819 0.750001 0.193641 Pt\n0.403179 0.250000 0.806359 Pt\n",
"nsites": 4,
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"elements": [
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"density": 16.023636571743815,
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"volume": 89.5542480435465,
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"formula_full": "Np2 Pt2",
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{
"id": "jvasp-12926",
"created_at": "2022-09-04T14:37:07.044972Z",
"updated_at": "2022-09-04T14:37:07.044996Z",
"structure_string": "Ca2 In2 Br6\n1.0\n4.245547 -0.000000 0.000000\n-2.122773 6.986158 -0.000000\n-0.000000 0.000000 10.868456\nCa In Br\n2 2 6\ndirect\n0.500000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.758867 0.517731 0.750000 In\n0.241135 0.482269 0.250000 In\n0.863668 0.727333 0.451586 Br\n0.136334 0.272668 0.548414 Br\n0.136334 0.272668 0.951586 Br\n0.863668 0.727333 0.048414 Br\n0.433832 0.867662 0.750000 Br\n0.566169 0.132338 0.250000 Br\n",
"nsites": 10,
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"elements": [
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],
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"formula_full": "Ca2 In2 Br6",
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"spacegroup": 63
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{
"id": "jvasp-10541",
"created_at": "2022-09-04T14:37:07.053768Z",
"updated_at": "2022-09-04T14:37:07.053803Z",
"structure_string": "K4 Ni2 P4\n1.0\n5.597248 -0.000000 -0.000000\n0.000000 5.756614 -2.712121\n-0.000000 0.019025 7.505793\nK Ni P\n4 2 4\ndirect\n0.750000 0.412897 0.825795 K\n0.750000 0.787970 0.575941 K\n0.250000 0.587102 0.174205 K\n0.250000 0.212029 0.424058 K\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.750000 0.275844 0.205536 P\n0.250000 0.070307 0.794463 P\n0.250000 0.724155 0.794463 P\n0.750000 0.929691 0.205536 P\n",
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{
"id": "jvasp-58576",
"created_at": "2022-09-04T14:37:07.251579Z",
"updated_at": "2022-09-04T14:37:07.251604Z",
"structure_string": "Mn4 Zn2 O8\n1.0\n2.910804 -0.000000 -0.000000\n-1.455402 4.815779 0.000000\n0.000000 -0.000000 9.693092\nMn Zn O\n4 2 8\ndirect\n0.869651 0.739305 0.069909 Mn\n0.130348 0.260695 0.930090 Mn\n0.869651 0.739305 0.430090 Mn\n0.130348 0.260695 0.569909 Mn\n0.386640 0.773279 0.750000 Zn\n0.613359 0.226721 0.250000 Zn\n0.224114 0.448228 0.388512 O\n0.775886 0.551772 0.611487 O\n0.775886 0.551772 0.888512 O\n0.224114 0.448228 0.111488 O\n0.957731 0.915465 0.250000 O\n0.042268 0.084535 0.750000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.000000 0.500000 O\n",
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{
"id": "jvasp-10476",
"created_at": "2022-09-04T14:37:07.226302Z",
"updated_at": "2022-09-04T14:37:07.226313Z",
"structure_string": "Ca6 V2 N6\n1.0\n5.054331 0.000000 -0.000000\n-0.000000 6.571233 -1.291680\n0.000000 -0.004402 6.696978\nCa V N\n6 2 6\ndirect\n0.750000 0.828972 0.598034 Ca\n0.250000 0.171028 0.401966 Ca\n0.250000 0.108621 0.891379 Ca\n0.750000 0.891379 0.108621 Ca\n0.250000 0.598034 0.828973 Ca\n0.750000 0.401966 0.171028 Ca\n0.250000 0.696763 0.303236 V\n0.750000 0.303237 0.696764 V\n0.750000 0.571073 0.818438 N\n0.250000 0.428927 0.181562 N\n0.750000 0.126775 0.873225 N\n0.250000 0.873225 0.126775 N\n0.750000 0.181562 0.428927 N\n0.250000 0.818438 0.571073 N\n",
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{
"id": "jvasp-54875",
"created_at": "2022-09-04T14:37:07.270473Z",
"updated_at": "2022-09-04T14:37:07.270482Z",
"structure_string": "Li4 Nd4 Si6\n1.0\n4.296326 -0.000000 -1.021516\n0.000000 6.823906 0.000000\n-0.002697 0.000000 9.534235\nLi Nd Si\n4 4 6\ndirect\n0.188553 0.061380 0.377106 Li\n0.188553 0.438620 0.377106 Li\n0.811448 0.938620 0.622894 Li\n0.811448 0.561381 0.622894 Li\n0.341650 0.250000 0.683303 Nd\n0.658350 0.750000 0.316697 Nd\n0.552071 0.250000 0.104140 Nd\n0.447930 0.750000 0.895860 Nd\n0.719945 0.250000 0.439888 Si\n0.280055 0.750000 0.560112 Si\n0.058499 0.926458 0.117000 Si\n0.941501 0.073542 0.883000 Si\n0.941501 0.426458 0.883000 Si\n0.058499 0.573543 0.117000 Si\n",
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"volume": 279.5032775598123,
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"formula_full": "Li4 Nd4 Si6",
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"formula_anonymous": "A2B2C3",
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}
]
}