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{
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{
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{
"id": "mp-753676",
"created_at": "2022-09-04T14:48:10.709256Z",
"structure_string": "Ta4 Ti2 O12\n1.0\n3.423848 4.572327 0.000000\n-3.423848 4.572327 0.000000\n0.000000 3.080130 6.807173\nTa Ti O\n4 2 12\ndirect\n0.828805 0.828805 0.671457 Ta\n0.821418 0.821418 0.173192 Ta\n0.171195 0.171195 0.328543 Ta\n0.178582 0.178582 0.826808 Ta\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.124770 0.532141 0.171531 O\n0.806435 0.193565 0.500000 O\n0.398261 0.398261 0.805102 O\n0.738837 0.738837 0.466445 O\n0.065659 0.065659 0.129222 O\n0.261163 0.261163 0.533555 O\n0.601739 0.601739 0.194898 O\n0.934341 0.934341 0.870778 O\n0.875230 0.467859 0.828469 O\n0.193565 0.806435 0.500000 O\n0.532141 0.124770 0.171531 O\n0.467859 0.875230 0.828469 O\n",
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"formula_full": "Ta4 Ti2 O12",
"formula_reduced": "Ta2TiO6",
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"spacegroup": 12
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{
"id": "mp-1218045",
"created_at": "2022-09-04T14:45:31.473950Z",
"structure_string": "Ta4 Ti2 O12\n1.0\n3.430914 4.543560 0.000000\n-3.430914 4.543560 0.000000\n0.000000 3.109030 6.747848\nTa Ti O\n4 2 12\ndirect\n0.321072 0.321072 0.178514 Ta\n0.678928 0.678928 0.821486 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.346686 0.346686 0.652545 Ti\n0.653314 0.653314 0.347455 Ti\n0.228909 0.228909 0.970446 O\n0.567520 0.567520 0.641214 O\n0.905245 0.905245 0.297231 O\n0.432480 0.432480 0.358786 O\n0.771091 0.771091 0.029554 O\n0.094755 0.094755 0.702769 O\n0.959691 0.381408 0.328539 O\n0.299842 0.700158 0.000000 O\n0.618592 0.040309 0.671461 O\n0.381408 0.959691 0.328539 O\n0.700158 0.299842 0.000000 O\n0.040309 0.618592 0.671461 O\n",
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"formula_full": "Ta4 Ti2 O12",
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{
"id": "mp-1045921",
"created_at": "2022-09-04T14:47:06.456094Z",
"structure_string": "Ta4 Ti2 Zn4 O16\n1.0\n2.964431 9.704847 0.000000\n-2.964431 9.704847 0.000000\n0.000000 0.015568 5.305133\nTa Ti Zn O\n4 2 4 16\ndirect\n0.736025 0.034881 0.266592 Ta\n0.965119 0.263975 0.233408 Ta\n0.263975 0.965119 0.733408 Ta\n0.034881 0.736025 0.766592 Ta\n0.369921 0.630079 0.250000 Ti\n0.630079 0.369921 0.750000 Ti\n0.565182 0.870124 0.225844 Zn\n0.129876 0.434818 0.274156 Zn\n0.434818 0.129876 0.774156 Zn\n0.870124 0.565182 0.725844 Zn\n0.803738 0.059400 0.924743 O\n0.940600 0.196262 0.575257 O\n0.196262 0.940600 0.075257 O\n0.059400 0.803738 0.424743 O\n0.566472 0.318094 0.408098 O\n0.681906 0.433528 0.091902 O\n0.433528 0.681906 0.591902 O\n0.318094 0.566472 0.908098 O\n0.720165 0.928801 0.573529 O\n0.071199 0.279835 0.926471 O\n0.153220 0.459714 0.644650 O\n0.540286 0.846780 0.855350 O\n0.846780 0.540286 0.355350 O\n0.459714 0.153220 0.144650 O\n0.928801 0.720165 0.073529 O\n0.279835 0.071199 0.426471 O\n",
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"formula_full": "Ta4 Ti2 Zn4 O16",
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"spacegroup": 15
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{
"id": "mp-1217951",
"created_at": "2022-09-04T14:41:36.067389Z",
"structure_string": "Ta4 Ti4 Co4\n1.0\n-2.527166 -4.412792 0.000000\n-5.085719 0.018131 0.000000\n0.000000 0.000000 -7.965358\nTa Ti Co\n4 4 4\ndirect\n0.321877 0.321864 0.568265 Ta\n0.653449 0.653523 0.456014 Ta\n0.653449 0.653523 0.043986 Ta\n0.321877 0.321864 0.931735 Ta\n0.851779 0.851768 0.750000 Ti\n0.156465 0.661425 0.250000 Ti\n0.661463 0.156486 0.250000 Ti\n0.167248 0.167238 0.250000 Ti\n0.005832 0.005768 0.500136 Co\n0.005832 0.005768 0.999864 Co\n0.842232 0.358540 0.750000 Co\n0.358499 0.842233 0.750000 Co\n",
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"density": 10.670004625390419,
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"formula_full": "Ta4 Ti4 Co4",
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{
"id": "mp-1217930",
"created_at": "2022-09-04T14:44:29.235586Z",
"structure_string": "Ta4 Ti4 Cr4 O24\n1.0\n4.691573 0.000000 0.000003\n0.000006 -4.690514 9.080454\n-0.000001 -9.380485 0.000281\nTa Ti Cr O\n4 4 4 24\ndirect\n0.500013 0.834057 0.832955 Ta\n0.500007 0.834052 0.332952 Ta\n0.999986 0.334055 0.332954 Ta\n0.999985 0.334057 0.832955 Ta\n0.499985 0.498142 0.000898 Ti\n0.499994 0.498147 0.500895 Ti\n0.000010 0.998150 0.000893 Ti\n0.000001 0.998151 0.500895 Ti\n0.499985 0.167140 0.166433 Cr\n0.999973 0.667136 0.166404 Cr\n0.500029 0.167140 0.666423 Cr\n0.000030 0.667148 0.666422 Cr\n0.193875 0.165751 0.013918 O\n0.193853 0.165758 0.513918 O\n0.806341 0.165898 0.320396 O\n0.806359 0.165905 0.820388 O\n0.306137 0.665757 0.013917 O\n0.306144 0.665759 0.513919 O\n0.693639 0.665904 0.820387 O\n0.693656 0.665899 0.320396 O\n0.199112 0.497280 0.850780 O\n0.199111 0.497277 0.350782 O\n0.800898 0.497331 0.151902 O\n0.800895 0.497330 0.651905 O\n0.300887 0.997277 0.850781 O\n0.300901 0.997274 0.350788 O\n0.699101 0.997329 0.651904 O\n0.699098 0.997328 0.151905 O\n0.195732 0.837294 0.679124 O\n0.195735 0.837274 0.179100 O\n0.804586 0.837116 0.983596 O\n0.804581 0.837108 0.483627 O\n0.304268 0.337273 0.179099 O\n0.304266 0.337293 0.679125 O\n0.695413 0.337103 0.983632 O\n0.695415 0.337107 0.483630 O\n",
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"density": 6.263021099886289,
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{
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"created_at": "2022-09-04T14:39:36.247295Z",
"structure_string": "Ta4 Ti4 Fe4 O24\n1.0\n4.709406 -0.000208 -0.000079\n0.000055 -4.708904 9.090678\n0.000417 -9.418762 -0.000493\nTa Ti Fe O\n4 4 4 24\ndirect\n0.499847 0.833931 0.832988 Ta\n0.499954 0.834100 0.332950 Ta\n0.000060 0.334079 0.333021 Ta\n0.000155 0.333868 0.833080 Ta\n0.500104 0.499311 0.000324 Ti\n0.500214 0.499372 0.500365 Ti\n0.999911 0.999241 0.000279 Ti\n0.999781 0.999374 0.500343 Ti\n0.500113 0.168163 0.166110 Fe\n0.000128 0.667731 0.166040 Fe\n0.499939 0.167588 0.666085 Fe\n0.999853 0.667624 0.665976 Fe\n0.192567 0.165470 0.013557 O\n0.192566 0.165386 0.513557 O\n0.807421 0.165348 0.321094 O\n0.807434 0.165336 0.821035 O\n0.307426 0.665412 0.013596 O\n0.307436 0.665364 0.513599 O\n0.692575 0.665311 0.821062 O\n0.692575 0.665323 0.321128 O\n0.199999 0.496210 0.851934 O\n0.200023 0.496207 0.351975 O\n0.799731 0.496139 0.151896 O\n0.799702 0.496207 0.651836 O\n0.300004 0.996260 0.351966 O\n0.299984 0.996220 0.851924 O\n0.700241 0.996167 0.151924 O\n0.700276 0.996201 0.651843 O\n0.196981 0.837895 0.679454 O\n0.197009 0.837848 0.179524 O\n0.803234 0.837875 0.982638 O\n0.803211 0.837832 0.482663 O\n0.302981 0.337908 0.179508 O\n0.302999 0.337918 0.679454 O\n0.696797 0.337937 0.982618 O\n0.696769 0.337851 0.482646 O\n",
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"formula_full": "Ta4 Ti4 Fe4 O24",
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{
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"structure_string": "Ta4 Ti4 Tl4 O20\n1.0\n3.823018 0.000000 0.000000\n0.000000 6.543502 0.000000\n0.000000 0.000000 19.161487\nTa Ti Tl O\n4 4 4 20\ndirect\n0.250000 0.775128 0.894133 Ta\n0.250000 0.275128 0.605867 Ta\n0.750000 0.224872 0.105867 Ta\n0.750000 0.724872 0.394133 Ta\n0.250000 0.318595 0.965454 Ti\n0.250000 0.818595 0.534546 Ti\n0.750000 0.681405 0.034546 Ti\n0.750000 0.181405 0.465454 Ti\n0.250000 0.771189 0.199548 Tl\n0.250000 0.271189 0.300452 Tl\n0.750000 0.228811 0.800452 Tl\n0.750000 0.728811 0.699548 Tl\n0.250000 0.647409 0.008875 O\n0.250000 0.147409 0.491125 O\n0.750000 0.352591 0.991125 O\n0.750000 0.852591 0.508875 O\n0.250000 0.236788 0.077946 O\n0.250000 0.736788 0.422054 O\n0.750000 0.763212 0.922054 O\n0.750000 0.263212 0.577946 O\n0.250000 0.468993 0.883346 O\n0.250000 0.968993 0.616654 O\n0.750000 0.531007 0.116654 O\n0.750000 0.031007 0.383346 O\n0.250000 0.833048 0.801090 O\n0.250000 0.333048 0.698910 O\n0.750000 0.166952 0.198910 O\n0.750000 0.666952 0.301090 O\n0.250000 0.066263 0.928509 O\n0.250000 0.566263 0.571491 O\n0.750000 0.933737 0.071491 O\n0.750000 0.433737 0.428509 O\n",
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{
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"structure_string": "Ta4 Tl2 O12\n1.0\n-3.767394 3.773915 5.336266\n3.767394 -3.773915 5.336266\n3.767394 3.773915 -5.336266\nTa Tl O\n4 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.057267 0.307267 0.750000 O\n0.687430 0.941877 0.375965 O\n0.065911 0.941877 0.754447 O\n0.687430 0.311465 0.745553 O\n0.313803 0.063803 0.250000 O\n0.934089 0.688535 0.875965 O\n0.065911 0.311465 0.124035 O\n0.686197 0.936197 0.750000 O\n0.312570 0.688535 0.254447 O\n0.934089 0.058123 0.245553 O\n0.942733 0.692733 0.250000 O\n0.312570 0.058123 0.624035 O\n",
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