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{
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{
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{
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"created_at": "2022-09-04T14:47:23.090293Z",
"structure_string": "Zr2 Fe1 Tc1\n1.0\n0.000000 3.243119 3.243119\n3.243119 0.000000 3.243119\n3.243119 3.243119 0.000000\nZr Fe Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Tc\n",
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{
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"structure_string": "Ca8 Zn24\n1.0\n4.560458 -7.898945 0.000000\n4.560458 7.898945 0.000000\n0.000000 0.000000 9.762362\nCa Zn\n8 24\ndirect\n0.000000 0.000000 0.750000 Ca\n0.543196 0.086392 0.250000 Ca\n0.913608 0.456804 0.250000 Ca\n0.086392 0.543196 0.750000 Ca\n0.456804 0.543196 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.543196 0.456804 0.250000 Ca\n0.456804 0.913608 0.750000 Ca\n0.831514 0.663028 0.507734 Zn\n0.168486 0.336972 0.007734 Zn\n0.336972 0.168486 0.992266 Zn\n0.831514 0.168486 0.992266 Zn\n0.333333 0.666667 0.490959 Zn\n0.234348 0.468696 0.250000 Zn\n0.831514 0.168486 0.507734 Zn\n0.831514 0.663028 0.992266 Zn\n0.666667 0.333333 0.990959 Zn\n0.168486 0.831514 0.007734 Zn\n0.663028 0.831514 0.492266 Zn\n0.468696 0.234348 0.750000 Zn\n0.336972 0.168486 0.507734 Zn\n0.531304 0.765652 0.250000 Zn\n0.663028 0.831514 0.007734 Zn\n0.168486 0.831514 0.492266 Zn\n0.666667 0.333333 0.509041 Zn\n0.000000 0.000000 0.500000 Zn\n0.765652 0.234348 0.750000 Zn\n0.333333 0.666667 0.009041 Zn\n0.234348 0.765652 0.250000 Zn\n0.168486 0.336972 0.492266 Zn\n0.765652 0.531304 0.750000 Zn\n0.000000 0.000000 0.000000 Zn\n",
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{
"id": "mp-1227842",
"created_at": "2022-09-04T14:47:23.175243Z",
"structure_string": "Ba2 La2 Ti2 Fe2 O12\n1.0\n3.997087 0.000000 3.997087\n0.000000 3.997087 3.997087\n-3.997087 -3.997087 7.994173\nBa La Ti Fe O\n2 2 2 2 12\ndirect\n0.875000 0.875000 0.375000 Ba\n0.375000 0.375000 0.875000 Ba\n0.625000 0.625000 0.125000 La\n0.125000 0.125000 0.625000 La\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.373334 0.373334 0.373334 O\n0.873334 0.873334 0.873334 O\n0.126666 0.126666 0.126666 O\n0.626666 0.626666 0.626666 O\n0.126666 0.620003 0.126666 O\n0.626666 0.120003 0.626666 O\n0.373334 0.879997 0.373334 O\n0.873334 0.379997 0.873334 O\n0.620003 0.126666 0.126666 O\n0.120003 0.626666 0.626666 O\n0.879997 0.373334 0.373334 O\n0.379997 0.873334 0.873334 O\n",
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"formula_full": "Ba2 La2 Ti2 Fe2 O12",
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"spacegroup": 216
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{
"id": "mp-1069520",
"created_at": "2022-09-04T14:47:22.870397Z",
"structure_string": "Zr2 Cu1 H2\n1.0\n-1.629054 1.629054 5.895469\n1.629054 -1.629054 5.895469\n1.629054 1.629054 -5.895469\nZr Cu H\n2 1 2\ndirect\n0.638599 0.638599 0.000000 Zr\n0.361401 0.361401 0.000000 Zr\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 H\n0.250000 0.750000 0.500000 H\n",
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{
"id": "mp-1214581",
"created_at": "2022-09-04T14:47:22.876152Z",
"structure_string": "Ba2 Nd4 Cu2 Mo8 O32\n1.0\n5.387767 0.000000 -0.129126\n2.693883 -6.477822 -0.064563\n0.160366 0.000000 -19.621364\nBa Nd Cu Mo O\n2 4 2 8 32\ndirect\n0.475328 0.049345 0.750000 Ba\n0.524672 0.950655 0.250000 Ba\n0.353169 0.287225 0.532633 Nd\n0.646831 0.712775 0.467367 Nd\n0.359606 0.287225 0.967367 Nd\n0.640394 0.712775 0.032633 Nd\n0.187580 0.624840 0.750000 Cu\n0.812420 0.375160 0.250000 Cu\n0.072114 0.877462 0.904786 Mo\n0.927886 0.122538 0.095214 Mo\n0.050424 0.877462 0.595214 Mo\n0.949576 0.122538 0.404786 Mo\n0.771722 0.470871 0.849159 Mo\n0.228278 0.529129 0.150841 Mo\n0.757407 0.470871 0.650841 Mo\n0.242593 0.529129 0.349159 Mo\n0.615231 0.285482 0.862151 O\n0.384769 0.714518 0.137849 O\n0.099287 0.285482 0.637849 O\n0.900713 0.714518 0.362151 O\n0.323396 0.660104 0.954956 O\n0.676604 0.339896 0.045044 O\n0.016500 0.660104 0.545044 O\n0.983500 0.339896 0.454956 O\n0.281781 0.955544 0.537654 O\n0.718219 0.044456 0.462346 O\n0.762675 0.955544 0.962346 O\n0.237325 0.044456 0.037654 O\n0.205177 0.833279 0.679098 O\n0.794823 0.166721 0.320902 O\n0.961544 0.833279 0.820902 O\n0.038456 0.166721 0.179098 O\n0.576873 0.517279 0.570284 O\n0.423127 0.482721 0.429716 O\n0.905848 0.517279 0.929716 O\n0.094152 0.482721 0.070284 O\n0.556360 0.403456 0.714985 O\n0.443640 0.596544 0.285015 O\n0.040184 0.403456 0.785015 O\n0.959816 0.596544 0.214985 O\n0.512035 0.702254 0.822213 O\n0.487965 0.297746 0.177787 O\n0.785711 0.702254 0.677787 O\n0.214289 0.297746 0.322213 O\n0.282339 0.914652 0.390666 O\n0.717661 0.085348 0.609334 O\n0.803009 0.914652 0.109334 O\n0.196991 0.085348 0.890666 O\n",
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{
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{
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"structure_string": "K8 I8 Cl16\n1.0\n11.936344 0.000000 0.000000\n0.000000 8.521794 0.000000\n0.000000 4.514298 11.998234\nK I Cl\n8 8 16\ndirect\n0.670480 0.892109 0.424475 K\n0.039064 0.466799 0.313778 K\n0.170480 0.107891 0.075525 K\n0.460936 0.466799 0.813778 K\n0.329520 0.107891 0.575525 K\n0.960936 0.533201 0.686222 K\n0.829520 0.892109 0.924475 K\n0.539064 0.533201 0.186222 K\n0.125118 0.695478 0.921101 I\n0.528388 0.101250 0.122249 I\n0.971612 0.101250 0.622249 I\n0.625118 0.304522 0.578899 I\n0.471612 0.898750 0.877751 I\n0.374882 0.695478 0.421101 I\n0.874882 0.304522 0.078899 I\n0.028388 0.898750 0.377751 I\n0.202487 0.632461 0.757782 Cl\n0.675155 0.864507 0.174396 Cl\n0.797513 0.367539 0.242218 Cl\n0.380231 0.340289 0.069609 Cl\n0.119769 0.340289 0.569609 Cl\n0.538585 0.228679 0.415651 Cl\n0.880231 0.659711 0.430391 Cl\n0.702487 0.367539 0.742218 Cl\n0.461415 0.771321 0.584349 Cl\n0.297513 0.632461 0.257782 Cl\n0.961415 0.228679 0.915651 Cl\n0.038585 0.771321 0.084349 Cl\n0.619769 0.659711 0.930391 Cl\n0.324845 0.135493 0.825604 Cl\n0.175155 0.135493 0.325604 Cl\n0.824845 0.864507 0.674396 Cl\n",
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{
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{
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}