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{
"id": "jvasp-71411",
"created_at": "2022-09-04T14:36:06.014516Z",
"updated_at": "2022-09-04T14:36:06.014526Z",
"structure_string": "Mn1 Be1 Sb2\n1.0\n3.095868 0.000000 0.000000\n0.000000 3.095868 0.000000\n0.000000 0.000000 7.947349\nMn Be Sb\n1 1 2\ndirect\n0.500000 0.500000 0.681340 Mn\n0.000000 0.000000 0.579344 Be\n0.000000 0.000000 0.898077 Sb\n0.500000 0.500000 0.341239 Sb\n",
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{
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"structure_string": "Ho2 Br2 O2\n1.0\n1.905683 1.100247 9.854269\n-1.905683 1.100247 9.854269\n-0.000000 -2.200493 9.854269\nHo Br O\n2 2 2\ndirect\n0.118689 0.118689 0.118689 Ho\n0.881312 0.881312 0.881308 Ho\n0.387227 0.387227 0.387226 Br\n0.612774 0.612774 0.612772 Br\n0.804576 0.804576 0.804573 O\n0.195426 0.195426 0.195425 O\n",
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{
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"structure_string": "Be1 Mo1 Ir2\n1.0\n-1.842913 1.842913 4.044182\n1.842913 -1.842913 4.044182\n1.842913 1.842913 -4.044182\nBe Mo Ir\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Ir\n0.250000 0.749999 0.499999 Ir\n",
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"formula_full": "Be1 Mo1 Ir2",
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{
"id": "jvasp-43550",
"created_at": "2022-09-04T14:36:05.993955Z",
"updated_at": "2022-09-04T14:36:05.993971Z",
"structure_string": "Li4 Ti2 Ni4 O10\n1.0\n-2.852803 3.330538 2.344166\n-1.426534 5.921940 -4.875823\n-2.982429 -3.342934 -2.353019\nLi Ti Ni O\n4 2 4 10\ndirect\n0.903734 0.192534 0.499997 Li\n0.099457 0.801078 0.499997 Li\n0.600545 0.798918 0.000001 Li\n0.796274 0.407456 0.000001 Li\n0.702535 0.594929 0.499997 Ti\n0.997465 0.005068 0.000000 Ti\n0.198455 0.603102 -0.000003 Ni\n0.399732 0.200526 0.000000 Ni\n0.300267 0.399482 0.499998 Ni\n0.501546 0.996904 0.500001 Ni\n0.547370 0.410650 0.254200 O\n0.849998 0.800000 0.749997 O\n0.658009 0.189352 0.754193 O\n0.459146 0.597695 0.735792 O\n0.943159 0.597696 0.264199 O\n0.041993 0.410650 0.745806 O\n0.240854 0.002305 0.764208 O\n0.350000 0.800000 0.250001 O\n0.756839 0.002303 0.235797 O\n0.152627 0.189350 0.245797 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.11358142651844788,
"volume": 176.0851277629587,
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"formula_full": "Li4 Ti2 Ni4 O10",
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"formula_anonymous": "AB2C2D5",
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"spacegroup": 15
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{
"id": "jvasp-97686",
"created_at": "2022-09-04T14:36:05.991139Z",
"updated_at": "2022-09-04T14:36:05.991153Z",
"structure_string": "Yb4 Cr4 Sb12\n1.0\n6.066378 0.000000 0.000000\n0.000000 6.186100 0.000000\n0.000000 0.000000 13.058506\nYb Cr Sb\n4 4 12\ndirect\n0.750000 0.995715 0.691039 Yb\n0.750000 0.495715 0.308962 Yb\n0.250000 0.504285 0.691039 Yb\n0.250000 0.004285 0.308962 Yb\n0.500000 0.750000 0.095881 Cr\n0.000000 0.750000 0.095881 Cr\n0.500000 0.250000 0.904119 Cr\n0.000000 0.250000 0.904119 Cr\n0.500000 0.250000 0.502878 Sb\n0.000000 0.250000 0.502878 Sb\n0.500000 0.750000 0.497122 Sb\n0.750000 0.892949 0.935348 Sb\n0.750000 0.392949 0.064652 Sb\n0.250000 0.607051 0.935348 Sb\n0.750000 0.499979 0.781957 Sb\n0.250000 0.500021 0.218043 Sb\n0.750000 -0.000021 0.218043 Sb\n0.250000 0.000021 0.781957 Sb\n0.000000 0.750000 0.497122 Sb\n0.250000 0.107051 0.064652 Sb\n",
"nsites": 20,
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"elements": [
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"density": 8.001175929717428,
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"formula_full": "Yb4 Cr4 Sb12",
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{
"id": "jvasp-70428",
"created_at": "2022-09-04T14:36:05.990440Z",
"updated_at": "2022-09-04T14:36:05.990472Z",
"structure_string": "Ti1 Be1 Tc1\n1.0\n1.352228 -2.342127 0.000000\n1.352228 2.342127 -0.000000\n-0.000000 0.000000 6.477548\nTi Be Tc\n1 1 1\ndirect\n0.666668 0.333333 0.321094 Ti\n0.000000 0.000000 0.988822 Be\n0.333333 0.666668 0.690084 Tc\n",
"nsites": 3,
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"density_atomic": 0.0731173182221,
"volume": 41.029951220137036,
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"formula_full": "Ti1 Be1 Tc1",
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{
"id": "jvasp-48326",
"created_at": "2022-09-04T14:36:05.985542Z",
"updated_at": "2022-09-04T14:36:05.985556Z",
"structure_string": "Na2 Li2 Mn2 P2 C2 O14\n1.0\n0.000000 5.233555 -0.113416\n6.281826 0.000000 0.000000\n0.000000 -0.186901 -8.770643\nNa Li Mn P C O\n2 2 2 2 2 14\ndirect\n0.787718 0.529261 0.236142 Na\n0.212283 0.029260 0.763858 Na\n0.768496 0.066821 0.187565 Li\n0.231505 0.566821 0.812435 Li\n0.227160 0.226494 0.353746 Mn\n0.772841 0.726494 0.646254 Mn\n0.304012 0.728472 0.436207 P\n0.695989 0.228471 0.563793 P\n0.289401 0.270700 0.062819 C\n0.710601 0.770700 0.937181 C\n0.500408 0.764574 0.860998 O\n0.775265 0.423795 0.659822 O\n0.782550 0.034132 0.658882 O\n0.184198 0.727275 0.595997 O\n0.396814 0.223696 0.547669 O\n0.603187 0.723697 0.452331 O\n0.080547 0.236981 0.146584 O\n0.217451 0.534132 0.341118 O\n0.224736 0.923795 0.340178 O\n0.499593 0.264574 0.139002 O\n0.919454 0.736982 0.853417 O\n0.730048 0.807791 0.077911 O\n0.815803 0.227275 0.404003 O\n0.269954 0.307791 0.922089 O\n",
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"formula_full": "Na2 Li2 Mn2 P2 C2 O14",
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{
"id": "jvasp-11970",
"created_at": "2022-09-04T14:36:05.985259Z",
"updated_at": "2022-09-04T14:36:05.985277Z",
"structure_string": "Al1 Co1\n1.0\n2.853685 -0.000000 0.000000\n-0.000000 2.853685 -0.000000\n-0.000000 -0.000000 2.853685\nAl Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.499999 0.499999 Co\n",
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{
"id": "jvasp-95049",
"created_at": "2022-09-04T14:36:05.984018Z",
"updated_at": "2022-09-04T14:36:05.984040Z",
"structure_string": "Nd2 O4\n1.0\n0.000000 -4.154712 0.000000\n-3.627791 0.000000 2.026081\n1.069460 0.000000 -6.606735\nNd O\n2 4\ndirect\n0.750000 0.500035 0.750014 Nd\n0.250000 0.499964 0.249986 Nd\n0.250000 0.249930 0.499950 O\n0.750000 0.750070 0.500049 O\n0.250000 0.750047 0.000047 O\n0.750000 0.249953 -0.000047 O\n",
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},
{
"id": "jvasp-42728",
"created_at": "2022-09-04T14:36:05.979539Z",
"updated_at": "2022-09-04T14:36:05.979557Z",
"structure_string": "Fe6 O11 F1\n1.0\n4.370523 -0.014190 -0.009511\n0.093402 5.195393 -0.051129\n0.097083 0.559382 7.169447\nFe O F\n6 11 1\ndirect\n0.523864 0.847093 0.671676 Fe\n0.493984 0.497204 0.997852 Fe\n0.495633 0.164864 0.331316 Fe\n0.990002 0.321672 0.667779 Fe\n0.984396 0.663315 0.322971 Fe\n0.005160 0.003192 0.006182 Fe\n0.190596 0.964122 0.232848 O\n0.310468 0.797177 0.897627 O\n0.305484 0.469420 0.233748 O\n0.308815 0.131532 0.567619 O\n0.693233 0.867437 0.434998 O\n0.805622 0.701284 0.099580 O\n0.689916 0.200912 0.100450 O\n0.192834 0.296117 0.900908 O\n0.811632 0.039946 0.770558 O\n0.806863 0.363225 0.432147 O\n0.697274 0.537600 0.765217 O\n0.194207 0.633879 0.566527 F\n",
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{
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"structure_string": "Ti9 Ni9\n1.0\n7.256065 -0.000024 0.000000\n-3.628011 6.283949 -0.000000\n-0.000000 -0.000000 5.344185\nTi Ni\n9 9\ndirect\n0.000000 0.000000 0.976228 Ti\n0.991846 0.666666 0.666668 Ti\n0.674822 0.008156 0.666668 Ti\n0.653927 0.666668 0.364902 Ti\n0.333335 0.325179 0.666668 Ti\n0.333333 0.987259 0.364902 Ti\n0.666668 0.333333 0.976217 Ti\n0.333334 0.666667 0.069384 Ti\n0.012741 0.346074 0.364902 Ti\n0.974638 0.666665 0.159469 Ni\n0.000000 0.000000 0.440422 Ni\n0.333334 0.666667 0.611590 Ni\n0.666668 0.333333 0.440388 Ni\n0.333331 0.979080 0.883987 Ni\n0.020921 0.354252 0.883987 Ni\n0.645749 0.666670 0.883987 Ni\n0.692028 0.025364 0.159469 Ni\n0.333336 0.307973 0.159469 Ni\n",
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{
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"structure_string": "Ce1 Ge2 Au2\n1.0\n4.471327 -0.000000 -0.000000\n-0.000000 4.471327 -0.000000\n-2.235663 -2.235663 5.213899\nCe Ge Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.617347 0.617347 0.234692 Ge\n0.382655 0.382655 0.765308 Ge\n0.250001 0.750001 0.500000 Au\n0.750001 0.250001 0.500000 Au\n",
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}