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{
"id": "mp-1188856",
"created_at": "2022-09-04T14:40:55.029696Z",
"structure_string": "V10 Si4 B2\n1.0\n-3.030668 3.030668 5.392279\n3.030668 -3.030668 5.392279\n3.030668 3.030668 -5.392279\nV Si B\n10 4 2\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.009145 0.509145 0.835681 V\n0.673464 0.173464 0.164319 V\n0.509145 0.673464 0.500000 V\n0.173464 0.009145 0.500000 V\n0.990855 0.490855 0.164319 V\n0.326536 0.826536 0.835681 V\n0.490855 0.326536 0.500000 V\n0.826536 0.990855 0.500000 V\n0.633326 0.133326 0.766652 Si\n0.366674 0.866674 0.233348 Si\n0.133326 0.366674 0.500000 Si\n0.866674 0.633326 0.500000 Si\n0.750000 0.750000 0.000000 B\n0.250000 0.250000 0.000000 B\n",
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{
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},
{
"id": "mp-675100",
"created_at": "2022-09-04T14:40:55.015347Z",
"structure_string": "Nd4 Pb2 Se8\n1.0\n-4.529181 4.529181 4.520261\n4.529181 -4.529181 4.520261\n4.529181 4.529181 -4.520261\nNd Pb Se\n4 2 8\ndirect\n0.993970 0.375000 0.118970 Nd\n0.256030 0.875000 0.881030 Nd\n0.625000 0.743970 0.618970 Nd\n0.125000 0.006030 0.381030 Nd\n0.750000 0.250000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.517847 0.115220 0.747821 Se\n0.884780 0.632600 0.402627 Se\n0.365220 0.267847 0.247821 Se\n0.229974 0.482153 0.597373 Se\n0.882600 0.634780 0.902627 Se\n0.367400 0.770026 0.252179 Se\n0.732153 0.979974 0.097373 Se\n0.020026 0.117400 0.752179 Se\n",
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},
{
"id": "mp-1213222",
"created_at": "2022-09-04T14:40:55.021696Z",
"structure_string": "Cu2 Ag4 P8 O24\n1.0\n6.786811 4.804755 0.000000\n-6.786811 4.804755 0.000000\n0.000000 0.770026 7.929026\nCu Ag P O\n2 4 8 24\ndirect\n0.636447 0.363553 0.750000 Cu\n0.363553 0.636447 0.250000 Cu\n0.314317 0.025292 0.810225 Ag\n0.685683 0.974708 0.189775 Ag\n0.974708 0.685683 0.689775 Ag\n0.025292 0.314317 0.310225 Ag\n0.562067 0.710417 0.823924 P\n0.437933 0.289583 0.176076 P\n0.289583 0.437933 0.676076 P\n0.710417 0.562067 0.323924 P\n0.739586 0.050088 0.627966 P\n0.260414 0.949912 0.372034 P\n0.949912 0.260414 0.872034 P\n0.050088 0.739586 0.127966 P\n0.188715 0.918243 0.551896 O\n0.811285 0.081757 0.448104 O\n0.081757 0.811285 0.948104 O\n0.918243 0.188715 0.051896 O\n0.379049 0.620951 0.750000 O\n0.620951 0.379049 0.250000 O\n0.416296 0.343354 0.659029 O\n0.583704 0.656646 0.340971 O\n0.656646 0.583704 0.840971 O\n0.343354 0.416296 0.159029 O\n0.663758 0.846845 0.667043 O\n0.336242 0.153155 0.332957 O\n0.153155 0.336242 0.832957 O\n0.846845 0.663758 0.167043 O\n0.895612 0.104388 0.750000 O\n0.104388 0.895612 0.250000 O\n0.534570 0.801356 0.973235 O\n0.465430 0.198644 0.026765 O\n0.198644 0.465430 0.526765 O\n0.801356 0.534570 0.473235 O\n0.606770 0.129298 0.683435 O\n0.393230 0.870702 0.316565 O\n0.870702 0.393230 0.816565 O\n0.129298 0.606770 0.183435 O\n",
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"density_atomic": 0.07348467140929954,
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"formula_full": "Cu2 Ag4 P8 O24",
"formula_reduced": "CuAg2(PO3)4",
"formula_anonymous": "AB2C4D12",
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"spacegroup": 15
},
{
"id": "mp-1175159",
"created_at": "2022-09-04T14:40:55.031291Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.298772 -0.121236 0.025417\n-1.955916 7.308343 -1.473035\n0.025979 -0.027677 5.710661\nLi Mn Co O\n7 4 1 12\ndirect\n0.333303 0.333327 0.833320 Li\n0.492051 0.016153 0.750236 Li\n0.174527 0.650514 0.916402 Li\n0.879780 0.349359 0.592171 Li\n0.786969 0.317327 0.074478 Li\n0.163921 0.658030 0.418124 Li\n0.502812 0.008656 0.248525 Li\n0.008297 0.008786 0.998371 Mn\n0.658383 0.657823 0.668282 Mn\n0.997448 0.004828 0.500838 Mn\n0.669197 0.661902 0.165806 Mn\n0.333319 0.333326 0.333326 Co\n0.085614 0.857810 0.707170 O\n0.581073 0.808873 0.959560 O\n0.349793 0.150901 0.521846 O\n0.316798 0.515740 0.144802 O\n0.758454 0.516942 0.377164 O\n0.908254 0.149722 0.289528 O\n0.043668 0.833862 0.208596 O\n0.622937 0.832789 0.458120 O\n0.405037 0.176483 0.060432 O\n0.261652 0.490180 0.606209 O\n0.762499 0.517314 0.884189 O\n0.904213 0.149354 0.782506 O\n",
"nsites": 24,
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"elements": [
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],
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"formula_full": "Li7 Mn4 Co1 O12",
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"spacegroup": 2
},
{
"id": "mp-1225238",
"created_at": "2022-09-04T14:40:55.097500Z",
"structure_string": "Er2 Fe17 C1\n1.0\n4.287139 2.459939 4.123116\n-4.287139 2.459939 4.123116\n0.000000 -4.899506 4.110723\nEr Fe C\n2 17 1\ndirect\n0.660154 0.660154 0.650807 Er\n0.339846 0.339846 0.349193 Er\n0.903390 0.903390 0.903287 Fe\n0.096610 0.096610 0.096713 Fe\n0.343427 0.343427 0.847693 Fe\n0.342912 0.849907 0.344515 Fe\n0.849907 0.342912 0.344515 Fe\n0.656573 0.656573 0.152307 Fe\n0.657088 0.150093 0.655485 Fe\n0.150093 0.657088 0.655485 Fe\n0.285383 0.714617 0.000000 Fe\n0.708620 0.000468 0.292106 Fe\n0.999532 0.291380 0.707894 Fe\n0.291380 0.999532 0.707894 Fe\n0.000468 0.708620 0.292106 Fe\n0.714617 0.285383 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 C\n",
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{
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{
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"structure_string": "Sr8 Co4 Br8 O8\n1.0\n0.411254 -7.881726 1.804606\n4.019043 0.003611 8.181321\n-7.953456 -3.942712 2.764670\nSr Co Br O\n8 4 8 8\ndirect\n0.445570 0.811524 0.703003 Sr\n0.945782 0.811322 0.702894 Sr\n0.194528 0.811774 0.203106 Sr\n0.696502 0.812177 0.203051 Sr\n0.555495 0.188193 0.296958 Sr\n0.053571 0.187820 0.296870 Sr\n0.304393 0.188443 0.797009 Sr\n0.804177 0.188732 0.797095 Sr\n0.249567 0.000017 0.500840 Co\n0.500422 0.999999 0.999158 Co\n0.749555 0.999967 0.500946 Co\n0.000431 0.000048 0.999068 Co\n0.621352 0.342723 0.585960 Br\n0.121185 0.343660 0.585785 Br\n0.370727 0.343680 0.085980 Br\n0.871748 0.342680 0.085232 Br\n0.379146 0.656314 0.414032 Br\n0.878132 0.657307 0.414748 Br\n0.128740 0.657305 0.914084 Br\n0.628959 0.656324 0.914198 Br\n0.503017 0.000139 0.500543 O\n0.996501 0.999871 0.500422 O\n0.246984 0.999992 0.999396 O\n0.753502 0.000008 0.999631 O\n0.875108 0.999937 0.249995 O\n0.374973 0.999989 0.249995 O\n0.621820 0.999971 0.756565 O\n0.128111 0.000086 0.743438 O\n",
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{
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"structure_string": "Nd1 In5 Co1\n1.0\n4.647972 0.000000 0.000000\n0.000000 4.647972 0.000000\n0.000000 0.000000 7.588255\nNd In Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.691519 In\n0.000000 0.500000 0.691519 In\n0.500000 0.000000 0.308481 In\n0.000000 0.500000 0.308481 In\n0.000000 0.000000 0.500000 Co\n",
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"formula_full": "Sr1 Pr1 Y1 Mn1 O6",
"formula_reduced": "SrPrYMnO6",
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"spacegroup": 216
},
{
"id": "mp-504615",
"created_at": "2022-09-04T14:40:55.033573Z",
"structure_string": "Fe8 Bi4 O18\n1.0\n6.100145 0.000000 0.000000\n0.000000 8.071366 0.000000\n0.000000 0.000000 8.657044\nFe Bi O\n8 4 18\ndirect\n0.257859 0.000000 0.500000 Fe\n0.742141 0.500000 0.000000 Fe\n0.742141 0.000000 0.500000 Fe\n0.257859 0.500000 0.000000 Fe\n0.500000 0.853566 0.165465 Fe\n0.500000 0.146434 0.834535 Fe\n0.500000 0.353566 0.334535 Fe\n0.500000 0.646434 0.665465 Fe\n0.000000 0.681050 0.319436 Bi\n0.000000 0.318950 0.680564 Bi\n0.000000 0.181050 0.180564 Bi\n0.000000 0.818950 0.819436 Bi\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.242158 0.874781 0.292650 O\n0.242158 0.125219 0.707350 O\n0.757842 0.374781 0.207350 O\n0.757842 0.625219 0.792650 O\n0.757842 0.125219 0.707350 O\n0.757842 0.874781 0.292650 O\n0.242158 0.625219 0.792650 O\n0.242158 0.374781 0.207350 O\n0.500000 0.633939 0.092474 O\n0.500000 0.366061 0.907526 O\n0.500000 0.133939 0.407526 O\n0.500000 0.866061 0.592474 O\n0.000000 0.654751 0.063811 O\n0.000000 0.345249 0.936189 O\n0.000000 0.154751 0.436189 O\n0.000000 0.845249 0.563811 O\n",
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],
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"formula_full": "Fe8 Bi4 O18",
"formula_reduced": "Fe4Bi2O9",
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"updated_at": "2021-11-28T01:35:21.606000Z",
"spacegroup": 55
}
]
}