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{
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{
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"formula_full": "Sr12 Nb4 Co4 O28",
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{
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"created_at": "2022-09-04T14:40:27.147417Z",
"structure_string": "Cu2 I4 O12\n1.0\n5.274564 0.000000 0.000000\n0.000000 5.648946 0.000000\n0.000000 1.185123 9.252819\nCu I O\n2 4 12\ndirect\n0.599328 0.219390 0.253954 Cu\n0.099328 0.780610 0.746046 Cu\n0.499122 0.733477 0.065537 I\n0.999122 0.266523 0.934463 I\n0.008108 0.741555 0.402193 I\n0.508108 0.258445 0.597807 I\n0.342213 0.544181 0.582077 O\n0.842213 0.455819 0.417923 O\n0.402312 0.134204 0.432967 O\n0.902312 0.865796 0.567033 O\n0.281260 0.088680 0.727660 O\n0.781260 0.911320 0.272340 O\n0.793189 0.358144 0.081562 O\n0.293189 0.641856 0.918438 O\n0.875797 0.498272 0.791661 O\n0.375797 0.501728 0.208339 O\n0.808090 0.020192 0.884106 O\n0.308090 0.979808 0.115894 O\n",
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{
"id": "mp-1232275",
"created_at": "2022-09-04T14:40:27.147401Z",
"structure_string": "Pm16 Mg8 S32\n1.0\n7.763702 0.000000 0.000000\n0.000000 12.951214 0.000000\n0.000000 0.000000 12.968233\nPm Mg S\n16 8 32\ndirect\n0.884656 0.110048 0.684163 Pm\n0.115344 0.889952 0.184163 Pm\n0.884656 0.389952 0.184163 Pm\n0.115344 0.610048 0.684163 Pm\n0.382857 0.127497 0.326420 Pm\n0.617143 0.872503 0.826420 Pm\n0.382857 0.372503 0.826420 Pm\n0.617143 0.627497 0.326420 Pm\n0.629433 0.134306 0.993791 Pm\n0.370567 0.865694 0.493791 Pm\n0.629433 0.365694 0.493791 Pm\n0.370567 0.634306 0.993791 Pm\n0.129284 0.135217 0.992598 Pm\n0.870716 0.864783 0.492598 Pm\n0.129284 0.364783 0.492598 Pm\n0.870716 0.635217 0.992598 Pm\n0.384664 0.110687 0.692704 Mg\n0.615336 0.889313 0.192704 Mg\n0.384664 0.389313 0.192704 Mg\n0.615336 0.610687 0.692704 Mg\n0.879389 0.125769 0.320121 Mg\n0.120611 0.874231 0.820121 Mg\n0.879389 0.374231 0.820121 Mg\n0.120611 0.625769 0.320121 Mg\n0.880481 0.011482 0.878744 S\n0.119519 0.988518 0.378744 S\n0.880481 0.488518 0.378744 S\n0.119519 0.511482 0.878744 S\n0.380290 0.029754 0.129279 S\n0.619710 0.970246 0.629279 S\n0.380290 0.470246 0.629279 S\n0.619710 0.529754 0.129279 S\n0.371240 0.023549 0.867401 S\n0.628760 0.976451 0.367401 S\n0.371240 0.476451 0.367401 S\n0.628760 0.523549 0.867401 S\n0.872483 0.044783 0.139474 S\n0.127517 0.955217 0.639474 S\n0.872483 0.455217 0.639474 S\n0.127517 0.544783 0.139474 S\n0.879510 0.210863 0.496995 S\n0.120490 0.789137 0.996995 S\n0.879510 0.289137 0.996995 S\n0.120490 0.710863 0.496995 S\n0.380539 0.211092 0.523269 S\n0.619461 0.788908 0.023269 S\n0.380539 0.288908 0.023269 S\n0.619461 0.711092 0.523269 S\n0.129531 0.233375 0.775171 S\n0.870469 0.766625 0.275171 S\n0.129531 0.266625 0.275171 S\n0.870469 0.733375 0.775171 S\n0.631519 0.230712 0.776870 S\n0.368481 0.769288 0.276870 S\n0.631519 0.269288 0.276870 S\n0.368481 0.730712 0.776870 S\n",
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"formula_full": "Pm16 Mg8 S32",
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{
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"structure_string": "Ti2 H2 O3\n1.0\n1.557418 -2.697527 0.000000\n1.557418 2.697527 0.000000\n0.000000 0.000000 8.670109\nTi H O\n2 2 3\ndirect\n0.333333 0.666667 0.125074 Ti\n0.666667 0.333333 0.874926 Ti\n0.666667 0.333333 0.374664 H\n0.333333 0.666667 0.625336 H\n0.666667 0.333333 0.260463 O\n0.333333 0.666667 0.739537 O\n0.000000 0.000000 0.000000 O\n",
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{
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{
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"structure_string": "Mg6 Fe1 C1\n1.0\n4.690281 -5.043435 0.000000\n4.690281 5.043435 0.000000\n0.000000 0.000000 3.169971\nMg Fe C\n6 1 1\ndirect\n0.947561 0.710794 0.500000 Mg\n0.289206 0.052439 0.500000 Mg\n0.846155 0.153845 0.500000 Mg\n0.602247 0.857134 0.000000 Mg\n0.142866 0.397753 0.000000 Mg\n0.591779 0.408221 0.000000 Mg\n0.331563 0.668437 0.500000 Fe\n0.248623 0.751377 0.000000 C\n",
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{
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"structure_string": "Ca8 As8 O40\n1.0\n6.656540 0.000000 0.000000\n0.000000 8.627903 0.000000\n0.000000 0.000000 13.906778\nCa As O\n8 8 40\ndirect\n0.862304 0.188195 0.444725 Ca\n0.637696 0.311805 0.944725 Ca\n0.362304 0.311805 0.555275 Ca\n0.137696 0.188195 0.055275 Ca\n0.137696 0.811805 0.555275 Ca\n0.362304 0.688195 0.055275 Ca\n0.637696 0.688195 0.444725 Ca\n0.862304 0.811805 0.944725 Ca\n0.360093 0.053805 0.382567 As\n0.139907 0.446195 0.882567 As\n0.860093 0.446195 0.617433 As\n0.639907 0.053805 0.117433 As\n0.639907 0.946195 0.617433 As\n0.860093 0.553805 0.117433 As\n0.139907 0.553805 0.382567 As\n0.360093 0.946195 0.882567 As\n0.223663 0.114298 0.269310 O\n0.276337 0.385702 0.769310 O\n0.723663 0.385702 0.730690 O\n0.776337 0.114298 0.230690 O\n0.776337 0.885702 0.730690 O\n0.723663 0.614298 0.230690 O\n0.276337 0.614298 0.269310 O\n0.223663 0.885702 0.769310 O\n0.514524 0.206397 0.406003 O\n0.985476 0.293603 0.906003 O\n0.014524 0.293603 0.593997 O\n0.485476 0.206397 0.093997 O\n0.485476 0.793603 0.593997 O\n0.014524 0.706397 0.093997 O\n0.985476 0.706397 0.406003 O\n0.514524 0.793603 0.906003 O\n0.465438 0.879292 0.368417 O\n0.034562 0.620708 0.868417 O\n0.965438 0.620708 0.631583 O\n0.534562 0.879292 0.131583 O\n0.534562 0.120708 0.631583 O\n0.965438 0.379292 0.131583 O\n0.034562 0.379292 0.368417 O\n0.465438 0.120708 0.868417 O\n0.179441 0.058214 0.470844 O\n0.320559 0.441786 0.970844 O\n0.679441 0.441786 0.529156 O\n0.820559 0.058214 0.029156 O\n0.820559 0.941786 0.529156 O\n0.679441 0.558214 0.029156 O\n0.320559 0.558214 0.470844 O\n0.179441 0.941786 0.970844 O\n0.898786 0.990915 0.270980 O\n0.601214 0.509085 0.770980 O\n0.398786 0.509085 0.729020 O\n0.101214 0.990915 0.229020 O\n0.101214 0.009085 0.729020 O\n0.398786 0.490915 0.229020 O\n0.601214 0.490915 0.270980 O\n0.898786 0.009085 0.770980 O\n",
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{
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{
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{
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]
}