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{
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{
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"formula_full": "Fe20 O32",
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},
{
"id": "mp-1210847",
"created_at": "2022-09-04T14:41:16.323868Z",
"structure_string": "Na1 Mg6 Al6 Si6 O30\n1.0\n0.000000 0.000000 -8.312859\n0.000000 -10.583676 2.770953\n-9.165733 5.291839 2.770953\nNa Mg Al Si O\n1 6 6 6 30\ndirect\n0.831205 0.000000 0.000000 Na\n0.992308 0.702718 0.321603 Mg\n0.289590 0.618885 0.297282 Mg\n0.289590 0.297282 0.618885 Mg\n0.670705 0.678397 0.381115 Mg\n0.670705 0.381115 0.678397 Mg\n0.992308 0.321603 0.702718 Mg\n0.498909 0.828230 0.642828 Al\n0.670680 0.814598 0.171770 Al\n0.670680 0.171770 0.814598 Al\n0.856082 0.357172 0.185402 Al\n0.856082 0.185402 0.357172 Al\n0.498909 0.642828 0.828230 Al\n0.452903 0.345915 0.175665 Si\n0.106988 0.829750 0.654085 Si\n0.106988 0.654085 0.829750 Si\n0.277238 0.824335 0.170250 Si\n0.277238 0.170250 0.824335 Si\n0.452903 0.175665 0.345915 Si\n0.668560 0.000000 0.777634 O\n0.668560 0.777634 0.000000 O\n0.890927 0.222366 0.222366 O\n0.328986 0.000000 0.249391 O\n0.328986 0.249391 0.000000 O\n0.079595 0.750609 0.750609 O\n0.762168 0.718136 0.242674 O\n0.044032 0.524538 0.281864 O\n0.044032 0.281864 0.524538 O\n0.519494 0.757326 0.475462 O\n0.519494 0.475462 0.757326 O\n0.762168 0.242674 0.718136 O\n0.137005 0.000000 0.753713 O\n0.137005 0.753713 0.000000 O\n0.383292 0.246287 0.246287 O\n0.806292 0.000000 0.290802 O\n0.806292 0.290802 0.000000 O\n0.515489 0.709198 0.709198 O\n0.429748 0.499701 0.246081 O\n0.930047 0.746380 0.500299 O\n0.930047 0.500299 0.746380 O\n0.183667 0.753919 0.253620 O\n0.183667 0.253620 0.753919 O\n0.429748 0.246081 0.499701 O\n0.669084 0.391101 0.214305 O\n0.277982 0.823204 0.608899 O\n0.277982 0.608899 0.823204 O\n0.454778 0.785695 0.176796 O\n0.454778 0.176796 0.785695 O\n0.669084 0.214305 0.391101 O\n",
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"formula_full": "Na1 Mg6 Al6 Si6 O30",
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"updated_at": "2021-11-28T01:35:15.796000Z",
"spacegroup": 160
},
{
"id": "mp-768720",
"created_at": "2022-09-04T14:46:24.067963Z",
"structure_string": "Li10 Fe4 P4 C4 O28\n1.0\n8.250974 0.000000 0.000000\n-2.073411 7.997953 0.000000\n-2.753939 -3.297080 8.372017\nLi Fe P C O\n10 4 4 4 28\ndirect\n0.689454 0.947732 0.904190 Li\n0.183584 0.437670 0.896200 Li\n0.464702 0.509595 0.719230 Li\n0.745224 0.233956 0.730736 Li\n0.973870 0.988392 0.733265 Li\n0.535298 0.490405 0.280770 Li\n0.026130 0.011608 0.266735 Li\n0.254776 0.766044 0.269264 Li\n0.816416 0.562330 0.103800 Li\n0.310546 0.052268 0.095810 Li\n0.819409 0.568104 0.667971 Fe\n0.308189 0.053770 0.668603 Fe\n0.691811 0.946230 0.331397 Fe\n0.180591 0.431896 0.332029 Fe\n0.058015 0.295807 0.586288 P\n0.555709 0.805705 0.580978 P\n0.444291 0.194295 0.419022 P\n0.941985 0.704193 0.413712 P\n0.501706 0.265977 0.955861 C\n0.005856 0.763711 0.969007 C\n0.498294 0.734023 0.044139 C\n0.994144 0.236289 0.030993 C\n0.877186 0.614416 0.932988 O\n0.368133 0.118567 0.923882 O\n0.406262 0.615957 0.906235 O\n0.532703 0.282614 0.829315 O\n0.883546 0.139171 0.883377 O\n0.027494 0.815407 0.854411 O\n0.641648 0.716114 0.691997 O\n0.484279 0.928835 0.683361 O\n0.968500 0.394279 0.686165 O\n0.150084 0.204955 0.697807 O\n0.590722 0.330525 0.580241 O\n0.706157 0.932668 0.547372 O\n0.204958 0.422086 0.556356 O\n0.080662 0.846890 0.578625 O\n0.409278 0.669475 0.419759 O\n0.293843 0.067332 0.452628 O\n0.795042 0.577914 0.443644 O\n0.919338 0.153110 0.421375 O\n0.358352 0.283886 0.308003 O\n0.515721 0.071165 0.316639 O\n0.031500 0.605721 0.313835 O\n0.849916 0.795045 0.302193 O\n0.467297 0.717386 0.170685 O\n0.593738 0.384043 0.093765 O\n0.972506 0.184593 0.145589 O\n0.116454 0.860829 0.116623 O\n0.122814 0.385584 0.067012 O\n0.631867 0.881433 0.076118 O\n",
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"density_atomic": 0.09050151232395452,
"volume": 552.476955534429,
"volume_molar": 6.654187985769185,
"formula_full": "Li10 Fe4 P4 C4 O28",
"formula_reduced": "Li5Fe2P2(CO7)2",
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"spacegroup": 2
},
{
"id": "mp-541789",
"created_at": "2022-09-04T14:39:23.295366Z",
"structure_string": "Cs4 Gd4 C8 O24\n1.0\n8.579964 0.000000 0.000000\n-3.809723 8.033557 0.000000\n-1.020511 -1.976440 8.609548\nCs Gd C O\n4 4 8 24\ndirect\n0.244855 0.030789 0.036988 Cs\n0.755145 0.969211 0.963012 Cs\n0.241433 0.189640 0.526918 Cs\n0.758567 0.810360 0.473082 Cs\n0.261051 0.522146 0.048815 Gd\n0.738949 0.477854 0.951185 Gd\n0.241166 0.713845 0.543151 Gd\n0.758834 0.286155 0.456849 Gd\n0.585390 0.399622 0.233264 C\n0.414610 0.600378 0.766736 C\n0.004749 0.722848 0.212841 C\n0.995251 0.277152 0.787159 C\n0.543507 0.141340 0.739891 C\n0.456493 0.858660 0.260109 C\n0.028539 0.297930 0.289372 C\n0.971461 0.702070 0.710628 C\n0.505015 0.442556 0.127638 O\n0.494985 0.557444 0.872362 O\n0.724441 0.382098 0.205732 O\n0.275559 0.617902 0.794268 O\n0.462807 0.627268 0.637334 O\n0.537193 0.372732 0.362666 O\n0.046990 0.626083 0.117133 O\n0.953010 0.373917 0.882867 O\n0.133861 0.261595 0.839499 O\n0.866139 0.738405 0.160501 O\n0.094617 0.799381 0.352182 O\n0.905383 0.200619 0.647818 O\n0.609158 0.273254 0.675029 O\n0.390842 0.726746 0.324971 O\n0.557956 0.177006 0.889428 O\n0.442044 0.822994 0.110572 O\n0.531358 0.012746 0.340194 O\n0.468642 0.987254 0.659806 O\n0.065291 0.429243 0.401925 O\n0.934709 0.570757 0.598075 O\n0.103853 0.844070 0.705878 O\n0.896147 0.155930 0.294122 O\n0.119358 0.308089 0.183161 O\n0.880642 0.691911 0.816839 O\n",
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{
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"structure_string": "Zn6 B14 Cl2 O26\n1.0\n7.506640 -4.316569 0.000000\n7.506640 4.316569 0.000000\n5.024468 0.000000 7.052456\nZn B Cl O\n6 14 2 26\ndirect\n0.027607 0.028727 0.464402 Zn\n0.028727 0.464402 0.027607 Zn\n0.464402 0.027607 0.028727 Zn\n0.528727 0.527607 0.964402 Zn\n0.527607 0.964402 0.528727 Zn\n0.964402 0.528727 0.527607 Zn\n0.733109 0.427119 0.426646 B\n0.396873 0.396873 0.396873 B\n0.896873 0.896873 0.896873 B\n0.427119 0.426646 0.733109 B\n0.426646 0.733109 0.427119 B\n0.927119 0.233109 0.926646 B\n0.233109 0.926646 0.927119 B\n0.926646 0.927119 0.233109 B\n0.752146 0.753363 0.245834 B\n0.245834 0.752146 0.753363 B\n0.753363 0.245834 0.752146 B\n0.252146 0.745834 0.253363 B\n0.253363 0.252146 0.745834 B\n0.745834 0.253363 0.252146 B\n0.230337 0.230337 0.230337 Cl\n0.730337 0.730337 0.730337 Cl\n0.387366 0.565092 0.810569 O\n0.810569 0.387366 0.565092 O\n0.751670 0.285229 0.899469 O\n0.899469 0.751670 0.285229 O\n0.285229 0.899469 0.751670 O\n0.399469 0.785229 0.251670 O\n0.251670 0.399469 0.785229 O\n0.785229 0.251670 0.399469 O\n0.012063 0.012063 0.012063 O\n0.512063 0.512063 0.512063 O\n0.893365 0.054334 0.735161 O\n0.735161 0.893365 0.054334 O\n0.054334 0.735161 0.893365 O\n0.393365 0.235161 0.554334 O\n0.554334 0.393365 0.235161 O\n0.235161 0.554334 0.393365 O\n0.299750 0.747015 0.064757 O\n0.064757 0.299750 0.747015 O\n0.747015 0.064757 0.299750 O\n0.799750 0.564757 0.247015 O\n0.247015 0.799750 0.564757 O\n0.564757 0.247015 0.799750 O\n0.065092 0.887366 0.310569 O\n0.310569 0.065092 0.887366 O\n0.887366 0.310569 0.065092 O\n0.565092 0.810569 0.387366 O\n",
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{
"id": "mp-8333",
"created_at": "2022-09-04T14:40:18.891947Z",
"structure_string": "Rb8 Na8 Sn8 F48\n1.0\n8.337377 0.000000 0.000000\n0.000000 11.172238 0.000000\n0.000000 0.000000 13.384590\nRb Na Sn F\n8 8 8 48\ndirect\n0.500000 0.750000 0.575035 Rb\n0.000000 0.250000 0.924965 Rb\n0.500000 0.250000 0.424965 Rb\n0.000000 0.750000 0.075035 Rb\n0.000000 0.750000 0.631483 Rb\n0.500000 0.250000 0.868517 Rb\n0.000000 0.250000 0.368517 Rb\n0.500000 0.750000 0.131483 Rb\n0.754975 0.075077 0.642539 Na\n0.254975 0.924923 0.857461 Na\n0.745025 0.575077 0.857461 Na\n0.245025 0.424923 0.642539 Na\n0.245025 0.924923 0.357461 Na\n0.745025 0.075077 0.142539 Na\n0.254975 0.424923 0.142539 Na\n0.754975 0.575077 0.357461 Na\n0.751050 0.425410 0.135136 Sn\n0.251050 0.574590 0.364864 Sn\n0.748950 0.925410 0.364864 Sn\n0.248950 0.074590 0.135136 Sn\n0.248950 0.574590 0.864864 Sn\n0.748950 0.425410 0.635136 Sn\n0.251050 0.074590 0.635136 Sn\n0.751050 0.925410 0.864864 Sn\n0.710464 0.876439 0.722325 F\n0.210464 0.123561 0.777675 F\n0.789536 0.376439 0.777675 F\n0.289536 0.623561 0.722325 F\n0.289536 0.123561 0.277675 F\n0.789536 0.876439 0.222325 F\n0.210464 0.623561 0.222325 F\n0.710464 0.376439 0.277675 F\n0.811398 0.978434 0.002346 F\n0.311398 0.021566 0.497654 F\n0.688602 0.478434 0.497654 F\n0.188602 0.521566 0.002346 F\n0.188602 0.021566 0.997654 F\n0.688602 0.978434 0.502346 F\n0.311398 0.521566 0.502346 F\n0.811398 0.478434 0.997654 F\n0.981101 0.883514 0.839760 F\n0.521391 0.970461 0.883945 F\n0.481101 0.116486 0.660240 F\n0.018899 0.616486 0.839760 F\n0.018899 0.116486 0.160240 F\n0.518899 0.883514 0.339760 F\n0.481101 0.616486 0.339760 F\n0.981101 0.383514 0.160240 F\n0.788218 0.762248 0.423723 F\n0.288218 0.237752 0.076277 F\n0.711782 0.262248 0.076277 F\n0.211782 0.737752 0.423723 F\n0.211782 0.237752 0.576277 F\n0.711782 0.762248 0.923723 F\n0.288218 0.737752 0.923723 F\n0.788218 0.262248 0.576277 F\n0.785292 0.594925 0.184432 F\n0.285292 0.405075 0.315568 F\n0.714708 0.094925 0.315568 F\n0.214708 0.905075 0.184432 F\n0.214708 0.405075 0.815568 F\n0.714708 0.594925 0.684432 F\n0.285292 0.905075 0.684432 F\n0.785292 0.094925 0.815568 F\n0.521391 0.470461 0.116055 F\n0.021391 0.529539 0.383945 F\n0.978609 0.970461 0.383945 F\n0.478609 0.029539 0.116055 F\n0.478609 0.529539 0.883945 F\n0.978609 0.470461 0.616055 F\n0.021391 0.029539 0.616055 F\n0.518899 0.383514 0.660240 F\n",
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