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{
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{
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"structure_string": "Li8 Mn10 Fe8 O36\n1.0\n2.909926 0.000000 0.000000\n0.000000 9.117550 0.000000\n0.000000 0.078874 24.909716\nLi Mn Fe O\n8 10 8 36\ndirect\n0.000000 0.822324 0.006499 Li\n0.000000 0.794756 0.796009 Li\n0.000000 0.709053 0.295258 Li\n0.000000 0.679412 0.506289 Li\n0.000000 0.320588 0.493711 Li\n0.000000 0.290947 0.704742 Li\n0.000000 0.205244 0.203991 Li\n0.000000 0.177676 0.993501 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.994825 0.894720 Mn\n0.500000 0.851277 0.190357 Mn\n0.500000 0.651490 0.690623 Mn\n0.000000 0.506489 0.395001 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.493511 0.604999 Mn\n0.500000 0.348510 0.309377 Mn\n0.500000 0.148723 0.809643 Mn\n0.000000 0.005175 0.105280 Mn\n0.000000 0.981408 0.691413 Fe\n0.500000 0.853173 0.411295 Fe\n0.500000 0.649661 0.911201 Fe\n0.000000 0.514186 0.191801 Fe\n0.000000 0.485814 0.808199 Fe\n0.500000 0.350339 0.088799 Fe\n0.500000 0.146827 0.588705 Fe\n0.000000 0.018592 0.308587 Fe\n0.000000 0.002793 0.576789 O\n0.000000 0.997207 0.423211 O\n0.500000 0.958782 0.058034 O\n0.500000 0.951921 0.841189 O\n0.500000 0.882460 0.331286 O\n0.000000 0.898224 0.238422 O\n0.500000 0.858545 0.496092 O\n0.500000 0.848528 0.716939 O\n0.000000 0.815554 0.141198 O\n0.000000 0.797057 0.918605 O\n0.000000 0.702647 0.418152 O\n0.000000 0.688531 0.641040 O\n0.500000 0.652263 0.214498 O\n0.500000 0.645080 0.997736 O\n0.000000 0.607374 0.738572 O\n0.500000 0.613950 0.833229 O\n0.500000 0.548042 0.340858 O\n0.500000 0.545564 0.557811 O\n0.000000 0.506049 0.923622 O\n0.000000 0.493951 0.076378 O\n0.500000 0.454436 0.442189 O\n0.500000 0.451958 0.659142 O\n0.500000 0.386050 0.166771 O\n0.000000 0.392626 0.261428 O\n0.500000 0.354920 0.002264 O\n0.500000 0.347737 0.785502 O\n0.000000 0.311469 0.358960 O\n0.000000 0.297353 0.581848 O\n0.000000 0.202943 0.081395 O\n0.000000 0.184446 0.858802 O\n0.500000 0.151472 0.283061 O\n0.500000 0.141455 0.503908 O\n0.000000 0.101776 0.761578 O\n0.500000 0.117540 0.668714 O\n0.500000 0.048079 0.158811 O\n0.500000 0.041218 0.941966 O\n",
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{
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{
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"structure_string": "Ce2 Hf2 O28\n1.0\n-5.326627 -5.326627 0.000000\n-5.326627 0.000000 -5.326627\n0.000000 -5.326627 -5.326627\nCe Hf O\n2 2 28\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Hf\n0.875000 0.875000 0.875000 O\n0.375000 0.875000 0.875000 O\n0.875000 0.375000 0.875000 O\n0.875000 0.875000 0.375000 O\n0.517483 0.517483 0.179090 O\n0.785944 0.179090 0.517483 O\n0.179090 0.785944 0.517483 O\n0.517483 0.179090 0.517483 O\n0.964056 0.232517 0.570910 O\n0.232517 0.232517 0.570910 O\n0.517483 0.517483 0.785944 O\n0.179090 0.517483 0.785944 O\n0.232517 0.570910 0.232517 O\n0.964056 0.570910 0.232517 O\n0.785944 0.517483 0.179090 O\n0.232517 0.964056 0.232517 O\n0.570910 0.964056 0.232517 O\n0.517483 0.785944 0.517483 O\n0.570910 0.232517 0.964056 O\n0.232517 0.232517 0.964056 O\n0.179090 0.517483 0.517483 O\n0.517483 0.179090 0.785944 O\n0.785944 0.517483 0.517483 O\n0.517483 0.785944 0.179090 O\n0.232517 0.570910 0.964056 O\n0.570910 0.232517 0.232517 O\n0.232517 0.964056 0.570910 O\n0.964056 0.232517 0.232517 O\n",
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{
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{
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},
{
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"structure_string": "K16 Fe4\n1.0\n-6.428810 6.428822 24.936320\n6.428810 -6.428822 24.936320\n6.428822 6.428810 -24.936320\nK Fe\n16 4\ndirect\n0.773093 0.120274 0.009822 K\n0.110452 0.763272 0.990178 K\n0.639548 0.486728 0.509822 K\n0.976907 0.129726 0.490178 K\n0.879726 0.889548 0.652820 K\n0.236728 0.226907 0.347180 K\n0.513272 0.023093 0.152820 K\n0.870274 0.360452 0.847180 K\n0.609176 0.637768 0.354025 K\n0.283742 0.255151 0.645975 K\n0.466258 0.994849 0.854025 K\n0.140824 0.612232 0.145975 K\n0.362232 0.716258 0.971409 K\n0.744849 0.390824 0.028591 K\n0.005151 0.859176 0.471409 K\n0.387768 0.533742 0.528591 K\n0.993234 0.493234 0.500000 Fe\n0.756766 0.756766 0.000000 Fe\n0.506766 0.006766 0.500000 Fe\n0.243234 0.243234 0.000000 Fe\n",
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"elements": [
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{
"id": "mp-1333532",
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"structure_string": "Mg6 Mo12 O24\n1.0\n6.263203 0.000000 0.000000\n3.097735 5.633838 0.000000\n0.344225 0.021960 15.227461\nMg Mo O\n6 12 24\ndirect\n0.178964 0.168166 0.042103 Mg\n0.822165 0.838348 0.332140 Mg\n0.159783 0.668491 0.166419 Mg\n0.172223 0.162693 0.662694 Mg\n0.497987 0.003108 0.502543 Mg\n0.849026 0.324182 0.833387 Mg\n0.661956 0.164330 0.169477 Mo\n0.501166 0.497762 0.394175 Mo\n0.504836 0.502985 0.005667 Mo\n0.657673 0.673396 0.165818 Mo\n0.993896 0.505728 0.502714 Mo\n0.848825 0.823419 0.743362 Mo\n0.990897 0.002493 0.499036 Mo\n0.345751 0.823593 0.832755 Mo\n0.124546 0.189271 0.290382 Mo\n0.344211 0.322723 0.831089 Mo\n0.493055 0.513116 0.615210 Mo\n0.827408 0.849410 0.935855 Mo\n0.339474 0.348442 0.090776 O\n0.488868 0.502038 0.240181 O\n0.345733 0.820671 0.090535 O\n0.820808 0.351784 0.091717 O\n0.672320 0.685186 0.419247 O\n0.524639 0.964389 0.246756 O\n0.822117 0.834019 0.569593 O\n0.960710 0.538820 0.245846 O\n0.673266 0.143832 0.413634 O\n0.831329 0.838170 0.093108 O\n0.132950 0.685321 0.412723 O\n0.989787 0.982154 0.246103 O\n0.022991 0.012201 0.752716 O\n0.871935 0.300500 0.582626 O\n0.301300 0.875070 0.578410 O\n0.023362 0.465506 0.749854 O\n0.179043 0.150496 0.908788 O\n0.172333 0.175794 0.422852 O\n0.481390 0.006933 0.745324 O\n0.321851 0.320266 0.576512 O\n0.212995 0.626684 0.914215 O\n0.648019 0.214677 0.917702 O\n0.516945 0.495129 0.755834 O\n0.671465 0.628704 0.910121 O\n",
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],
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"formula_full": "Mg6 Mo12 O24",
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"energy": -340.99464654,
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{
"id": "mp-1186042",
"created_at": "2022-09-04T14:45:23.306226Z",
"structure_string": "Na6 Ca2\n1.0\n3.819630 -6.615793 0.000000\n3.819630 6.615793 0.000000\n0.000000 0.000000 5.999172\nNa Ca\n6 2\ndirect\n0.161651 0.323302 0.250000 Na\n0.676698 0.838349 0.250000 Na\n0.161651 0.838349 0.250000 Na\n0.838349 0.676698 0.750000 Na\n0.323302 0.161651 0.750000 Na\n0.838349 0.161651 0.750000 Na\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n",
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],
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"volume_molar": 22.82366733107638,
"formula_full": "Na6 Ca2",
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"updated_at": "2021-11-28T01:37:09.541000Z",
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]
}