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{
"id": "mp-554682",
"created_at": "2022-09-04T14:42:55.120108Z",
"structure_string": "Si48 O96\n1.0\n-10.192505 10.192505 6.807226\n10.192505 -10.192505 6.807226\n10.192505 10.192505 -6.807226\nSi O\n48 96\ndirect\n0.708017 0.938403 0.618407 Si\n0.061597 0.680004 0.769615 Si\n0.572183 0.424294 0.699401 Si\n0.923903 0.689398 0.614592 Si\n0.739643 0.435464 0.455493 Si\n0.129501 0.664327 0.093331 Si\n0.589676 0.675264 0.527668 Si\n0.587691 0.439492 0.302814 Si\n0.570996 0.036170 0.906669 Si\n0.560508 0.863323 0.148199 Si\n0.564536 0.020029 0.304179 Si\n0.715123 0.412309 0.851801 Si\n0.937992 0.410324 0.085587 Si\n0.571887 0.269415 0.545069 Si\n0.321561 0.329454 0.621938 Si\n0.136677 0.284877 0.697186 Si\n0.690690 0.076097 0.765496 Si\n0.949359 0.260804 0.932427 Si\n0.310602 0.925194 0.234504 Si\n0.910389 0.291983 0.230385 Si\n0.724346 0.026819 0.454931 Si\n0.927462 0.927627 0.846065 Si\n0.319996 0.089611 0.381593 Si\n0.575706 0.275106 0.147889 Si\n0.964109 0.028615 0.693385 Si\n0.335230 0.270724 0.306615 Si\n0.324736 0.852404 0.914413 Si\n0.739196 0.671623 0.688555 Si\n0.335673 0.429004 0.465174 Si\n0.707517 0.699624 0.378062 Si\n0.973181 0.428113 0.697527 Si\n0.724894 0.872783 0.300599 Si\n0.072373 0.918438 0.999835 Si\n0.670546 0.292483 0.992107 Si\n0.730585 0.275654 0.302473 Si\n0.729276 0.035891 0.064505 Si\n0.081562 0.081397 0.153935 Si\n0.979971 0.284150 0.544507 Si\n0.074806 0.309310 0.385408 Si\n0.983068 0.050641 0.311445 Si\n0.971385 0.664770 0.935495 Si\n0.328377 0.016932 0.067573 Si\n0.963830 0.870499 0.534826 Si\n0.300376 0.678439 0.007893 Si\n0.127217 0.427817 0.852111 Si\n0.715850 0.260357 0.695821 Si\n0.918603 0.072538 0.000165 Si\n0.147596 0.062008 0.472332 Si\n0.858793 0.566040 0.531751 O\n0.167485 0.383747 0.784325 O\n0.326771 0.979800 0.155714 O\n0.828943 0.673229 0.653029 O\n0.688377 0.755380 0.310273 O\n0.653165 0.572397 0.312247 O\n0.599422 0.383160 0.215675 O\n0.635831 0.921551 0.086084 O\n0.590532 0.152384 0.936220 O\n0.207093 0.982718 0.016680 O\n0.042394 0.440206 0.794769 O\n0.331069 0.338545 0.392639 O\n0.220322 0.201240 0.212700 O\n0.447349 0.565154 0.483870 O\n0.953758 0.378457 0.174587 O\n0.798760 0.011460 0.019082 O\n0.078449 0.164533 0.714280 O\n0.217810 0.404256 0.423034 O\n0.672958 0.141207 0.707247 O\n0.661455 0.054094 0.992524 O\n0.886741 0.976371 0.909415 O\n0.220829 0.046242 0.424699 O\n0.638401 0.683519 0.445943 O\n0.030183 0.725884 0.698401 O\n0.956130 0.352329 0.005103 O\n0.056075 0.332600 0.897539 O\n0.433960 0.965711 0.292753 O\n0.558425 0.956411 0.207630 O\n0.237576 0.192459 0.554057 O\n0.847616 0.783836 0.438148 O\n0.668219 0.969817 0.695701 O\n0.023629 0.933044 0.910371 O\n0.205224 0.782190 0.186445 O\n0.034289 0.327042 0.468249 O\n0.616840 0.832515 0.216262 O\n0.621543 0.796130 0.575301 O\n0.845660 0.005515 0.667232 O\n0.616253 0.400578 0.783738 O\n0.667400 0.564939 0.723476 O\n0.427603 0.739850 0.080768 O\n0.988540 0.007622 0.787300 O\n0.061570 0.668931 0.007476 O\n0.647671 0.652774 0.603800 O\n0.003335 0.391505 0.614152 O\n0.435061 0.158536 0.102461 O\n0.809587 0.792907 0.775626 O\n0.841464 0.943925 0.276524 O\n0.824086 0.171057 0.844286 O\n0.610817 0.996665 0.388170 O\n0.081284 0.963479 0.516130 O\n0.020200 0.175914 0.346971 O\n0.043589 0.251220 0.602015 O\n0.748780 0.350795 0.792370 O\n0.015786 0.554420 0.709821 O\n0.838792 0.168126 0.494346 O\n0.694035 0.984214 0.538634 O\n0.216164 0.654312 0.063780 O\n0.608495 0.222648 0.611830 O\n0.347226 0.951027 0.994897 O\n0.649205 0.441575 0.397985 O\n0.445107 0.378105 0.689727 O\n0.036521 0.552651 0.117805 O\n0.992378 0.779678 0.980918 O\n0.994485 0.661717 0.840145 O\n0.022673 0.113259 0.089629 O\n0.645437 0.247625 0.205231 O\n0.659082 0.346835 0.919232 O\n0.835467 0.549747 0.913916 O\n0.655554 0.161208 0.329334 O\n0.316481 0.762424 0.954883 O\n0.274116 0.972518 0.304299 O\n0.807541 0.361599 0.045117 O\n0.203870 0.779171 0.825413 O\n0.017282 0.033961 0.224374 O\n0.966039 0.190413 0.983320 O\n0.831874 0.326220 0.670666 O\n0.777352 0.389183 0.385848 O\n0.027482 0.331781 0.301599 O\n0.821572 0.154340 0.159855 O\n0.673780 0.344446 0.505654 O\n0.260150 0.340918 0.687753 O\n0.445580 0.155401 0.461366 O\n0.752375 0.957606 0.397812 O\n0.066956 0.977327 0.090585 O\n0.345688 0.409468 0.561852 O\n0.945906 0.938430 0.607361 O\n0.338283 0.178428 0.332768 O\n0.595744 0.018778 0.813555 O\n0.048973 0.043870 0.396200 O\n0.434846 0.918716 0.882195 O\n0.981222 0.794776 0.576966 O\n0.559794 0.354563 0.602188 O\n0.844599 0.305965 0.290179 O\n0.621895 0.311623 0.067002 O\n0.244620 0.554893 0.932998 O\n0.450253 0.364169 0.285720 O\n",
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"elements": [
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"volume": 2828.733456780571,
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"formula_full": "Si48 O96",
"formula_reduced": "SiO2",
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"updated_at": "2021-11-28T01:35:57.830000Z",
"spacegroup": 82
},
{
"id": "mp-644923",
"created_at": "2022-09-04T14:43:39.729896Z",
"structure_string": "Si48 O96\n1.0\n-10.160007 10.160007 6.825548\n10.160007 -10.160007 6.825548\n10.160007 10.160007 -6.825548\nSi O\n48 96\ndirect\n0.922545 0.077455 0.000000 Si\n0.941319 0.854449 0.523814 Si\n0.330636 0.417505 0.476186 Si\n0.719978 0.264001 0.698157 Si\n0.582495 0.669364 0.523814 Si\n0.577038 0.431160 0.302973 Si\n0.565844 0.264001 0.544022 Si\n0.145551 0.058681 0.476186 Si\n0.725936 0.871814 0.302973 Si\n0.077455 0.077455 0.154911 Si\n0.692384 0.077184 0.764669 Si\n0.922816 0.687486 0.615201 Si\n0.735999 0.434156 0.455978 Si\n0.978178 0.280022 0.544022 Si\n0.568840 0.871814 0.145878 Si\n0.719978 0.021822 0.455978 Si\n0.072285 0.687486 0.764669 Si\n0.582495 0.058681 0.913130 Si\n0.683212 0.683212 0.366425 Si\n0.577038 0.274064 0.145878 Si\n0.922545 0.922545 0.845089 Si\n0.683212 0.316788 0.000000 Si\n0.077455 0.922545 0.000000 Si\n0.739885 0.673127 0.686313 Si\n0.312514 0.077184 0.384799 Si\n0.316788 0.683212 0.000000 Si\n0.922816 0.307616 0.235331 Si\n0.326873 0.013186 0.066758 Si\n0.735999 0.280022 0.301843 Si\n0.128186 0.274064 0.697027 Si\n0.978178 0.434156 0.698157 Si\n0.725936 0.422962 0.854122 Si\n0.326873 0.260115 0.313687 Si\n0.312514 0.927715 0.235331 Si\n0.072285 0.307616 0.384799 Si\n0.739885 0.053572 0.066758 Si\n0.316788 0.316788 0.633575 Si\n0.986814 0.673127 0.933242 Si\n0.941319 0.417505 0.086870 Si\n0.946428 0.013186 0.686313 Si\n0.692384 0.927715 0.615201 Si\n0.145551 0.669364 0.086870 Si\n0.568840 0.422962 0.697027 Si\n0.986814 0.053572 0.313687 Si\n0.330636 0.854449 0.913130 Si\n0.128186 0.431160 0.854122 Si\n0.946428 0.260115 0.933242 Si\n0.565844 0.021822 0.301843 Si\n0.821809 0.392301 0.057357 O\n0.021265 0.112034 0.090769 O\n0.021751 0.559450 0.704206 O\n0.977354 0.993724 0.779758 O\n0.604024 0.036798 0.818714 O\n0.076592 0.673854 0.001559 O\n0.613017 0.227151 0.614134 O\n0.052455 0.255024 0.598784 O\n0.838268 0.161732 0.500000 O\n0.006276 0.786035 0.983630 O\n0.446200 0.553800 0.500000 O\n0.836869 0.171492 0.162288 O\n0.670405 0.743210 0.299368 O\n0.213965 0.993724 0.016370 O\n0.235548 0.665056 0.057357 O\n0.828508 0.990796 0.665377 O\n0.214690 0.395976 0.432773 O\n0.076592 0.075033 0.402738 O\n0.821809 0.764452 0.429508 O\n0.040155 0.346680 0.306525 O\n0.443842 0.743210 0.072805 O\n0.682455 0.144756 0.704206 O\n0.213965 0.197595 0.220242 O\n0.021751 0.317545 0.462301 O\n0.058757 0.147578 0.704637 O\n0.661732 0.161732 0.323464 O\n0.653320 0.959845 0.693475 O\n0.924967 0.327705 0.001559 O\n0.802405 0.022646 0.016370 O\n0.661732 0.338268 0.500000 O\n0.058757 0.354120 0.911180 O\n0.656240 0.255024 0.202570 O\n0.443842 0.371037 0.700632 O\n0.147352 0.363377 0.783976 O\n0.009204 0.171492 0.334623 O\n0.021265 0.930496 0.909231 O\n0.628963 0.556158 0.299368 O\n0.636623 0.852648 0.216024 O\n0.218084 0.036798 0.432773 O\n0.977354 0.197595 0.983630 O\n0.235548 0.178191 0.570492 O\n0.214690 0.781916 0.818714 O\n0.546329 0.343760 0.598784 O\n0.656240 0.453671 0.401216 O\n0.256790 0.556158 0.927195 O\n0.326146 0.327705 0.402738 O\n0.613017 0.998883 0.385866 O\n0.052455 0.453671 0.797430 O\n0.887966 0.978735 0.909231 O\n0.546329 0.947545 0.202570 O\n0.628963 0.329595 0.072805 O\n0.963202 0.781916 0.567227 O\n0.009204 0.674581 0.837712 O\n0.772849 0.386983 0.385866 O\n0.852422 0.557059 0.911180 O\n0.442941 0.354120 0.295363 O\n0.645880 0.941243 0.088820 O\n0.672295 0.075033 0.998441 O\n0.604024 0.785310 0.567227 O\n0.053800 0.946200 0.500000 O\n0.802405 0.786035 0.779758 O\n0.828508 0.163131 0.837712 O\n0.852422 0.941243 0.295363 O\n0.006276 0.022646 0.220242 O\n0.040155 0.733630 0.693475 O\n0.326146 0.923408 0.998441 O\n0.645880 0.557059 0.704637 O\n0.325419 0.990796 0.162288 O\n0.682455 0.978249 0.537699 O\n0.440550 0.978249 0.295794 O\n0.325419 0.163131 0.334623 O\n0.334944 0.392301 0.570492 O\n0.924967 0.923408 0.597262 O\n0.218084 0.785310 0.181286 O\n0.053800 0.553800 0.107600 O\n0.744976 0.947545 0.401216 O\n0.579401 0.363377 0.216024 O\n0.256790 0.329595 0.700632 O\n0.744976 0.343760 0.797430 O\n0.838268 0.338268 0.676536 O\n0.963202 0.395976 0.181286 O\n0.266370 0.959845 0.306525 O\n0.672295 0.673854 0.597262 O\n0.670405 0.371037 0.927195 O\n0.607699 0.178191 0.942643 O\n0.607699 0.665056 0.429508 O\n0.855244 0.317545 0.295794 O\n0.440550 0.144756 0.462301 O\n0.855244 0.559450 0.537699 O\n0.636623 0.420599 0.783976 O\n0.442941 0.147578 0.088820 O\n0.001117 0.386983 0.614134 O\n0.334944 0.764452 0.942643 O\n0.446200 0.946200 0.892400 O\n0.836869 0.674581 0.665377 O\n0.069504 0.978735 0.090769 O\n",
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"density": 1.6992833805705814,
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"volume": 2818.289033980328,
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"formula_full": "Si48 O96",
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"updated_at": "2021-11-28T01:36:20.874000Z",
"spacegroup": 119
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{
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"elements": [
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"updated_at": "2021-11-28T01:35:15.929000Z",
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},
{
"id": "mp-600060",
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{
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"structure_string": "Sr1 Ca3 Zr16 P24 O96\n1.0\n-8.932754 5.157328 -7.707964\n-0.000000 -10.314656 -7.707964\n-8.932754 -5.157328 7.707964\nSr Ca Zr P O\n1 3 16 24 96\ndirect\n0.500000 -0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n-0.000000 0.500000 0.000000 Ca\n-0.000000 -0.000000 0.500000 Ca\n0.641356 0.141301 0.358654 Zr\n0.141346 0.141356 0.858699 Zr\n0.141259 0.641259 0.358741 Zr\n0.641301 0.641346 0.858644 Zr\n0.358644 0.858699 0.641346 Zr\n0.858654 0.858644 0.141301 Zr\n0.858741 0.358741 0.641259 Zr\n0.358699 0.358654 0.141356 Zr\n0.649093 0.648580 0.351793 Zr\n0.148580 0.648207 0.850907 Zr\n0.148207 0.149093 0.351420 Zr\n0.649829 0.149829 0.850171 Zr\n0.350907 0.351420 0.648207 Zr\n0.851420 0.351793 0.149093 Zr\n0.851793 0.850907 0.648580 Zr\n0.350171 0.850171 0.149829 Zr\n0.743750 0.605562 0.606264 P\n0.243399 0.605201 0.106161 P\n0.243650 0.105575 0.606168 P\n0.745120 0.106262 0.106141 P\n0.605575 0.393832 0.256350 P\n0.105562 0.393736 0.756250 P\n0.105201 0.893839 0.256601 P\n0.606262 0.893859 0.754880 P\n0.393839 0.743399 0.394799 P\n0.893832 0.743650 0.894425 P\n0.893736 0.243750 0.394438 P\n0.393859 0.245120 0.893738 P\n0.256250 0.394438 0.393736 P\n0.756601 0.394799 0.893839 P\n0.756350 0.894425 0.393832 P\n0.254880 0.893738 0.893859 P\n0.394425 0.606168 0.743650 P\n0.894438 0.606264 0.243750 P\n0.894799 0.106161 0.743399 P\n0.393738 0.106141 0.245120 P\n0.606161 0.256601 0.605201 P\n0.106168 0.256350 0.105575 P\n0.106264 0.756250 0.605562 P\n0.606141 0.754880 0.106262 P\n0.673769 0.612527 0.700274 O\n0.173587 0.612148 0.200292 O\n0.173833 0.112453 0.700291 O\n0.673479 0.112213 0.199062 O\n0.612453 0.299709 0.326167 O\n0.112527 0.299726 0.826231 O\n0.112148 0.799708 0.326413 O\n0.612213 0.800938 0.826521 O\n0.299708 0.673587 0.387852 O\n0.799709 0.673833 0.887547 O\n0.799726 0.173769 0.387473 O\n0.300938 0.173479 0.887787 O\n0.326231 0.387473 0.299726 O\n0.826413 0.387852 0.799708 O\n0.826167 0.887547 0.299709 O\n0.326521 0.887787 0.800938 O\n0.387547 0.700291 0.673833 O\n0.887473 0.700274 0.173769 O\n0.887852 0.200292 0.673587 O\n0.387787 0.199062 0.173479 O\n0.700292 0.326413 0.612148 O\n0.200291 0.326167 0.112453 O\n0.200274 0.826231 0.612527 O\n0.699062 0.826521 0.112213 O\n0.177354 0.486415 0.386794 O\n0.677484 0.486690 0.886803 O\n0.677404 0.986434 0.386743 O\n0.176794 0.986393 0.886340 O\n0.486434 0.613257 0.822596 O\n0.986415 0.613206 0.322646 O\n0.986690 0.113197 0.822516 O\n0.486393 0.113660 0.323206 O\n0.613197 0.177484 0.513310 O\n0.113257 0.177404 0.013566 O\n0.113206 0.677354 0.513585 O\n0.613660 0.676794 0.013607 O\n0.822646 0.513585 0.613206 O\n0.322516 0.513310 0.113197 O\n0.322596 0.013566 0.613257 O\n0.823206 0.013607 0.113660 O\n0.513566 0.386743 0.177404 O\n0.013585 0.386794 0.677354 O\n0.013310 0.886803 0.177484 O\n0.513607 0.886340 0.676794 O\n0.386803 0.822516 0.486690 O\n0.886743 0.822596 0.986434 O\n0.886794 0.322646 0.486415 O\n0.386340 0.323206 0.986393 O\n0.492676 0.670402 0.410899 O\n0.992527 0.670497 0.910611 O\n0.992408 0.170591 0.410743 O\n0.494428 0.174947 0.907949 O\n0.670591 0.589257 0.507592 O\n0.170402 0.589101 0.007324 O\n0.170497 0.089389 0.507473 O\n0.674947 0.092051 0.005572 O\n0.589389 0.492527 0.329503 O\n0.089257 0.492408 0.829409 O\n0.089101 0.992676 0.329598 O\n0.592051 0.994428 0.825053 O\n0.507324 0.329598 0.589101 O\n0.007473 0.329503 0.089389 O\n0.007592 0.829409 0.589257 O\n0.505572 0.825053 0.092051 O\n0.329409 0.410743 0.492408 O\n0.829598 0.410899 0.992676 O\n0.829503 0.910611 0.492527 O\n0.325053 0.907949 0.994428 O\n0.410611 0.507473 0.670497 O\n0.910743 0.507592 0.170591 O\n0.910899 0.007324 0.670402 O\n0.407949 0.005572 0.174947 O\n0.098191 0.696146 0.706754 O\n0.599796 0.694579 0.207435 O\n0.598264 0.196695 0.706279 O\n0.098240 0.196293 0.206877 O\n0.194579 0.792565 0.900204 O\n0.696293 0.793123 0.401760 O\n0.696695 0.293721 0.901736 O\n0.196146 0.293246 0.401809 O\n0.293123 0.598240 0.803707 O\n0.793246 0.598191 0.303854 O\n0.793721 0.098264 0.803305 O\n0.292565 0.099796 0.305421 O\n0.901809 0.303854 0.293246 O\n0.400203 0.305421 0.792565 O\n0.401736 0.803305 0.293721 O\n0.901760 0.803707 0.793123 O\n0.805421 0.207435 0.099796 O\n0.303707 0.206877 0.598240 O\n0.303305 0.706279 0.098264 O\n0.803854 0.706754 0.598191 O\n0.706877 0.401760 0.196293 O\n0.206754 0.401809 0.696146 O\n0.206279 0.901736 0.196695 O\n0.707435 0.900204 0.694579 O\n",
"nsites": 140,
"nelements": 5,
"elements": [
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"Ca",
"Zr",
"P",
"O"
],
"chemical_system": "Ca-O-P-Sr-Zr",
"density": 3.076009949166505,
"density_atomic": 0.06570932118431233,
"volume": 2130.5957431412953,
"volume_molar": 9.16481961989549,
"formula_full": "Sr1 Ca3 Zr16 P24 O96",
"formula_reduced": "SrCa3Zr16(PO4)24",
"formula_anonymous": "AB3C16D24E96",
"energy": -1204.10853865,
"energy_per_atom": -8.600775276071428,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1138.15653865,
"band_gap": 4.177,
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"is_magnetic": false,
"total_magnetization": 0.0064051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.395000Z",
"spacegroup": 148
},
{
"id": "mp-707302",
"created_at": "2022-09-04T14:46:39.999127Z",
"structure_string": "Rb10 Al24 Cd7 Si24 O96\n1.0\n-17.822167 0.000000 0.000000\n-8.903820 -15.443424 0.000000\n-8.900810 -5.130481 14.581096\nRb Al Cd Si O\n10 24 7 24 96\ndirect\n0.740855 0.740701 0.272966 Rb\n0.589748 0.154733 0.588880 Rb\n0.156126 0.590716 0.587706 Rb\n0.591413 0.591396 0.157641 Rb\n0.250527 0.750504 0.250760 Rb\n0.750522 0.250303 0.251023 Rb\n0.160791 0.161682 0.587510 Rb\n0.590471 0.155229 0.163545 Rb\n0.155217 0.589455 0.163632 Rb\n0.249385 0.249552 0.250329 Rb\n0.607418 0.787973 0.963895 Al\n0.964903 0.608014 0.788560 Al\n0.788696 0.963321 0.607223 Al\n0.789036 0.138616 0.968962 Al\n0.139056 0.968809 0.789045 Al\n0.139120 0.602095 0.969526 Al\n0.214295 0.398197 0.860795 Al\n0.601883 0.137908 0.789035 Al\n0.970068 0.137272 0.602449 Al\n0.398902 0.027041 0.859341 Al\n0.139439 0.789582 0.601597 Al\n0.966543 0.789708 0.137191 Al\n0.026412 0.216146 0.860133 Al\n0.860023 0.215227 0.396169 Al\n0.605333 0.966163 0.138590 Al\n0.029413 0.857999 0.396839 Al\n0.396489 0.859706 0.214171 Al\n0.789236 0.604992 0.138793 Al\n0.858681 0.396919 0.030432 Al\n0.858254 0.029945 0.216103 Al\n0.215552 0.859541 0.029602 Al\n0.215858 0.028910 0.395427 Al\n0.029829 0.396291 0.214741 Al\n0.395870 0.214157 0.029738 Al\n0.998182 0.998961 0.007497 Cd\n0.994078 0.502012 0.002776 Cd\n0.502366 0.992746 0.002486 Cd\n0.999501 0.998833 0.494532 Cd\n0.167502 0.775458 0.777094 Cd\n0.779218 0.156762 0.780108 Cd\n0.215201 0.216080 0.854137 Cd\n0.789328 0.604158 0.963830 Si\n0.604900 0.964180 0.789205 Si\n0.964819 0.789135 0.604449 Si\n0.141920 0.788796 0.964861 Si\n0.966366 0.138583 0.789237 Si\n0.603603 0.140843 0.965999 Si\n0.140967 0.604691 0.788059 Si\n0.397004 0.210873 0.856467 Si\n0.142754 0.965751 0.603392 Si\n0.035365 0.399207 0.855266 Si\n0.788717 0.140162 0.603987 Si\n0.789721 0.964849 0.141256 Si\n0.210149 0.036462 0.856727 Si\n0.210911 0.854879 0.397631 Si\n0.964910 0.603827 0.141237 Si\n0.852996 0.036676 0.399845 Si\n0.603981 0.788856 0.141817 Si\n0.854337 0.398743 0.210919 Si\n0.399541 0.854122 0.036210 Si\n0.036997 0.853747 0.210370 Si\n0.855247 0.210328 0.036798 Si\n0.037398 0.210204 0.398059 Si\n0.399227 0.036964 0.210067 Si\n0.210221 0.397713 0.036888 Si\n0.686995 0.678541 0.983612 O\n0.410392 0.958417 0.969274 O\n0.971012 0.409079 0.958146 O\n0.777056 0.504911 0.001494 O\n0.632611 0.858573 0.851256 O\n0.852743 0.632115 0.858188 O\n0.505379 0.006481 0.774552 O\n0.958196 0.160532 0.969028 O\n0.160544 0.970965 0.957959 O\n0.679238 0.986338 0.687383 O\n0.987327 0.686754 0.678887 O\n0.217831 0.780709 0.995147 O\n0.858752 0.851018 0.633854 O\n0.155056 0.687703 0.975261 O\n0.682138 0.153653 0.975337 O\n0.000236 0.213350 0.779045 O\n0.003794 0.775417 0.505845 O\n0.957177 0.969027 0.409701 O\n0.506058 0.217757 0.996227 O\n0.854706 0.153042 0.849045 O\n0.157258 0.849075 0.852215 O\n0.979454 0.150076 0.687961 O\n0.160138 0.412670 0.969682 O\n0.157063 0.639408 0.849686 O\n0.640010 0.154620 0.854357 O\n0.410463 0.161111 0.957694 O\n0.154226 0.978412 0.680968 O\n0.318240 0.310309 0.844222 O\n0.036499 0.599080 0.840627 O\n0.594061 0.026797 0.843023 O\n0.850975 0.152418 0.641918 O\n0.157753 0.853903 0.640538 O\n0.216312 0.506060 0.777832 O\n0.495186 0.214493 0.775332 O\n0.968969 0.957519 0.163308 O\n0.776167 0.002977 0.214869 O\n0.218222 0.998196 0.505934 O\n0.156671 0.683092 0.687996 O\n0.688042 0.155397 0.682788 O\n0.146211 0.357888 0.849531 O\n0.356948 0.147010 0.849987 O\n0.017878 0.497860 0.775063 O\n0.841069 0.035788 0.597450 O\n0.027348 0.842544 0.595091 O\n0.028285 0.320222 0.841515 O\n0.309688 0.028243 0.843573 O\n0.851164 0.857025 0.157342 O\n0.779621 0.217852 0.506910 O\n0.218536 0.775554 0.496933 O\n0.145712 0.146656 0.849882 O\n0.687521 0.981590 0.150537 O\n0.981967 0.680248 0.149988 O\n0.969725 0.161621 0.412319 O\n0.161889 0.957520 0.411649 O\n0.004026 0.505793 0.214708 O\n0.633447 0.851428 0.158171 O\n0.857021 0.633472 0.158690 O\n0.311938 0.842369 0.321065 O\n0.841393 0.322093 0.312317 O\n0.774015 0.011948 0.499655 O\n0.211988 0.016256 0.776075 O\n0.025106 0.034012 0.842227 O\n0.505209 0.776914 0.216496 O\n0.775039 0.498131 0.216043 O\n0.845296 0.142951 0.368549 O\n0.144208 0.845942 0.367159 O\n0.411119 0.969918 0.162186 O\n0.957925 0.410496 0.162652 O\n0.679906 0.686612 0.156226 O\n0.838725 0.026710 0.322918 O\n0.597536 0.839625 0.036017 O\n0.365720 0.847381 0.142331 O\n0.846880 0.365683 0.144880 O\n0.841302 0.595358 0.026894 O\n0.026077 0.839374 0.311697 O\n0.846538 0.144318 0.142454 O\n0.143270 0.845730 0.143480 O\n0.498752 0.775571 0.010309 O\n0.037217 0.023470 0.598438 O\n0.011418 0.215520 0.498375 O\n0.012893 0.775125 0.212264 O\n0.322299 0.843508 0.022851 O\n0.845608 0.310832 0.022771 O\n0.143751 0.143682 0.368643 O\n0.776972 0.216889 0.008371 O\n0.026671 0.311274 0.321573 O\n0.322675 0.026240 0.311466 O\n0.842168 0.026187 0.035147 O\n0.036512 0.841623 0.022649 O\n0.499074 0.013134 0.214215 O\n0.145009 0.366329 0.142990 O\n0.367407 0.143657 0.144188 O\n0.217656 0.497020 0.009565 O\n0.026240 0.597055 0.035062 O\n0.597701 0.036258 0.024777 O\n0.311388 0.321092 0.023138 O\n",
"nsites": 161,
"nelements": 5,
"elements": [
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"Al",
"Cd",
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"O"
],
"chemical_system": "Al-Cd-O-Rb-Si",
"density": 1.8615773276831362,
"density_atomic": 0.04011729136528531,
"volume": 4013.2320633022127,
"volume_molar": 15.01133440232991,
"formula_full": "Rb10 Al24 Cd7 Si24 O96",
"formula_reduced": "Rb10Al24Cd7(SiO4)24",
"formula_anonymous": "A7B10C24D24E96",
"energy": -1203.91713932,
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"updated_at": "2021-11-28T01:37:43.335000Z",
"spacegroup": 1
},
{
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}