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{
"id": "mp-746355",
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"structure_string": "Fe2 P6 H36 C12 S12 O12\n1.0\n5.655234 7.279767 0.000000\n-5.655234 7.279767 0.000000\n0.000000 1.736011 13.222261\nFe P H C S O\n2 6 36 12 12 12\ndirect\n0.163236 0.836764 0.750000 Fe\n0.836764 0.163236 0.250000 Fe\n0.432169 0.567831 0.750000 P\n0.567831 0.432169 0.250000 P\n0.857817 0.794554 0.851211 P\n0.205446 0.142183 0.648789 P\n0.142183 0.205446 0.148789 P\n0.794554 0.857817 0.351211 P\n0.437222 0.311854 0.965962 H\n0.688146 0.562778 0.534038 H\n0.562778 0.688146 0.034038 H\n0.311854 0.437222 0.465962 H\n0.322057 0.498657 0.951342 H\n0.501343 0.677943 0.548658 H\n0.677943 0.501343 0.048658 H\n0.498657 0.322057 0.451342 H\n0.282219 0.350479 0.888628 H\n0.649521 0.717781 0.611372 H\n0.717781 0.649521 0.111372 H\n0.350479 0.282219 0.388628 H\n0.807826 0.427861 0.840731 H\n0.572139 0.192174 0.659269 H\n0.192174 0.572139 0.159269 H\n0.427861 0.807826 0.340731 H\n0.978911 0.463538 0.873210 H\n0.536462 0.021089 0.626790 H\n0.021089 0.536462 0.126790 H\n0.463538 0.978911 0.373210 H\n0.917720 0.519978 0.748108 H\n0.480022 0.082280 0.751892 H\n0.082280 0.480022 0.251892 H\n0.519978 0.917720 0.248108 H\n0.716494 0.121493 0.851987 H\n0.878507 0.283506 0.648013 H\n0.283506 0.878507 0.148013 H\n0.121493 0.716494 0.351987 H\n0.808228 0.052899 0.966398 H\n0.947101 0.191772 0.533602 H\n0.191772 0.947101 0.033602 H\n0.052899 0.808228 0.466398 H\n0.607261 0.094605 0.969164 H\n0.905395 0.392739 0.530836 H\n0.392739 0.905395 0.030836 H\n0.094605 0.607261 0.469164 H\n0.371139 0.395348 0.913601 C\n0.604652 0.628861 0.586399 C\n0.628861 0.604652 0.086399 C\n0.395348 0.371139 0.413601 C\n0.881002 0.506574 0.828749 C\n0.493426 0.118998 0.671251 C\n0.118998 0.493426 0.171251 C\n0.506574 0.881002 0.328749 C\n0.712369 0.051586 0.923731 C\n0.948414 0.287631 0.576269 C\n0.287631 0.948414 0.076269 C\n0.051586 0.712369 0.423731 C\n0.238630 0.592242 0.685951 S\n0.407758 0.761370 0.814049 S\n0.761370 0.407758 0.314049 S\n0.592242 0.238630 0.185951 S\n0.039982 0.768575 0.925302 S\n0.231425 0.960018 0.574698 S\n0.960018 0.231425 0.074698 S\n0.768575 0.039982 0.425302 S\n0.898173 0.864061 0.705659 S\n0.135939 0.101827 0.794341 S\n0.101827 0.135939 0.294341 S\n0.864061 0.898173 0.205659 S\n0.474689 0.422213 0.827127 O\n0.577787 0.525311 0.672873 O\n0.525311 0.577787 0.172873 O\n0.422213 0.474689 0.327127 O\n0.791472 0.647139 0.863083 O\n0.352861 0.208528 0.636917 O\n0.208528 0.352861 0.136917 O\n0.647139 0.791472 0.363083 O\n0.711510 0.900289 0.905266 O\n0.099711 0.288490 0.594734 O\n0.288490 0.099711 0.094734 O\n0.900289 0.711510 0.405266 O\n",
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"density": 1.6087269552751902,
"density_atomic": 0.07348288634967662,
"volume": 1088.688863136254,
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"formula_full": "Fe2 P6 H36 C12 S12 O12",
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"spacegroup": 15
},
{
"id": "mp-752831",
"created_at": "2022-09-04T14:45:21.853258Z",
"structure_string": "Li4 Cu4 F8\n1.0\n5.244993 0.000000 0.000000\n0.000000 5.711365 0.000000\n0.000000 0.083967 6.275234\nLi Cu F\n4 4 8\ndirect\n0.821500 0.649075 0.592044 Li\n0.678500 0.149075 0.592044 Li\n0.321500 0.850925 0.407956 Li\n0.178500 0.350925 0.407956 Li\n0.243208 0.604434 0.917567 Cu\n0.256792 0.104434 0.917567 Cu\n0.743208 0.895566 0.082433 Cu\n0.756792 0.395566 0.082433 Cu\n0.777463 0.904975 0.788513 F\n0.722537 0.404975 0.788513 F\n0.195004 0.620634 0.620301 F\n0.304996 0.120634 0.620301 F\n0.695004 0.879366 0.379699 F\n0.804996 0.379366 0.379699 F\n0.277463 0.595025 0.211487 F\n0.222537 0.095025 0.211487 F\n",
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{
"id": "mp-560417",
"created_at": "2022-09-04T14:45:21.889622Z",
"structure_string": "Sn8 O16\n1.0\n5.156846 0.000000 0.000000\n0.000000 5.246952 0.000000\n0.000000 0.000000 10.162028\nSn O\n8 16\ndirect\n0.768339 0.467917 0.117999 Sn\n0.731661 0.467917 0.617999 Sn\n0.268339 0.032083 0.117999 Sn\n0.231661 0.532083 0.882001 Sn\n0.768339 0.967917 0.382001 Sn\n0.731661 0.967917 0.882001 Sn\n0.268339 0.532083 0.382001 Sn\n0.231661 0.032083 0.617999 Sn\n0.869638 0.631579 0.789375 O\n0.998479 0.240710 0.978087 O\n0.001521 0.759290 0.021913 O\n0.630362 0.131579 0.210625 O\n0.630362 0.631579 0.289375 O\n0.130362 0.368421 0.210625 O\n0.369638 0.868421 0.789375 O\n0.869638 0.131579 0.710625 O\n0.001521 0.259290 0.478087 O\n0.130362 0.868421 0.289375 O\n0.501521 0.240710 0.478087 O\n0.369638 0.368421 0.710625 O\n0.501521 0.740710 0.021913 O\n0.498479 0.259290 0.978087 O\n0.998479 0.740710 0.521913 O\n0.498479 0.759290 0.521913 O\n",
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{
"id": "mp-1226102",
"created_at": "2022-09-04T14:45:22.404102Z",
"structure_string": "Cr4 B6 W6\n1.0\n5.776505 0.000000 0.000000\n0.000000 5.776505 0.000000\n2.888253 2.888253 5.287746\nCr B W\n4 6 6\ndirect\n0.305505 0.805505 0.713781 Cr\n0.980714 0.480714 0.713781 Cr\n0.480714 0.305505 0.713781 Cr\n0.805505 0.980714 0.713781 Cr\n0.389140 0.889140 0.989961 B\n0.620899 0.120899 0.989961 B\n0.120899 0.389140 0.989961 B\n0.889140 0.620899 0.989961 B\n0.739937 0.739937 0.520126 B\n0.239937 0.239937 0.520126 B\n0.679090 0.179090 0.299666 W\n0.021244 0.521244 0.299666 W\n0.521244 0.679090 0.299666 W\n0.179090 0.021244 0.299666 W\n0.513471 0.513471 0.973058 W\n0.013471 0.013471 0.973058 W\n",
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"formula_full": "Cr4 B6 W6",
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{
"id": "mp-775338",
"created_at": "2022-09-04T14:45:22.475237Z",
"structure_string": "V3 Cu2 Ni1 P6 O24\n1.0\n7.418358 -4.305643 0.000000\n7.418358 4.305643 0.000000\n4.919346 0.000000 7.026424\nV Cu Ni P O\n3 2 1 6 24\ndirect\n0.642715 0.642715 0.642715 V\n0.858502 0.858502 0.858502 V\n0.356548 0.356548 0.356548 V\n0.002802 0.002802 0.002802 Cu\n0.499704 0.499704 0.499704 Cu\n0.141660 0.141660 0.141660 Ni\n0.540292 0.959003 0.248427 P\n0.248427 0.540292 0.959003 P\n0.959003 0.248427 0.540292 P\n0.040296 0.750551 0.458468 P\n0.750551 0.458468 0.040296 P\n0.458468 0.040296 0.750551 P\n0.305881 0.505120 0.122329 O\n0.122329 0.305881 0.505120 O\n0.505120 0.122329 0.305881 O\n0.739075 0.940204 0.085106 O\n0.383740 0.982192 0.199418 O\n0.570646 0.763240 0.417507 O\n0.085106 0.739075 0.940204 O\n0.417507 0.570646 0.763240 O\n0.002831 0.806998 0.622517 O\n0.763240 0.417507 0.570646 O\n0.046773 0.910243 0.267569 O\n0.806998 0.622517 0.002831 O\n0.199418 0.383740 0.982192 O\n0.940204 0.085106 0.739075 O\n0.231756 0.579912 0.447022 O\n0.982192 0.199418 0.383740 O\n0.579912 0.447022 0.231756 O\n0.910243 0.267569 0.046773 O\n0.447022 0.231756 0.579912 O\n0.622517 0.002831 0.806998 O\n0.267569 0.046773 0.910243 O\n0.512807 0.874885 0.683262 O\n0.874885 0.683262 0.512807 O\n0.683262 0.512807 0.874885 O\n",
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{
"id": "mp-765973",
"created_at": "2022-09-04T14:45:22.500168Z",
"structure_string": "Li8 Mn4 C8 O24\n1.0\n-1.771086 -2.079955 -4.673096\n0.000466 10.820139 -4.816709\n6.983592 -2.147364 -4.822915\nLi Mn C O\n8 4 8 24\ndirect\n0.498512 0.276866 0.173026 Li\n0.998497 0.776893 0.173017 Li\n0.171756 0.026888 0.327053 Li\n0.671683 0.526940 0.327078 Li\n0.998644 0.473102 0.673045 Li\n0.498601 0.973079 0.673012 Li\n0.171429 0.223199 0.827047 Li\n0.671349 0.723159 0.827092 Li\n0.380914 0.499969 0.000113 Mn\n0.880853 0.249947 0.499897 Mn\n0.881009 0.000058 0.999983 Mn\n0.380597 0.750026 0.500062 Mn\n0.959565 0.199969 0.194313 C\n0.459525 0.699961 0.194327 C\n0.153968 0.449979 0.305687 C\n0.653980 0.949996 0.305640 C\n0.959627 0.050055 0.694307 C\n0.459652 0.550044 0.694383 C\n0.653515 0.300003 0.805638 C\n0.153428 0.800041 0.805691 C\n0.981907 0.170739 0.048319 O\n0.481872 0.670683 0.048337 O\n0.030402 0.420698 0.451660 O\n0.530379 0.920726 0.451623 O\n0.982010 0.079326 0.548303 O\n0.481922 0.579348 0.548402 O\n0.529839 0.329155 0.951676 O\n0.029760 0.829220 0.951695 O\n0.407636 0.446396 0.249215 O\n0.907643 0.946443 0.249195 O\n0.156744 0.196396 0.250824 O\n0.656682 0.696417 0.250852 O\n0.907182 0.303656 0.749246 O\n0.407107 0.803678 0.749300 O\n0.156793 0.053625 0.750833 O\n0.656863 0.553616 0.750858 O\n0.029152 0.481511 0.207856 O\n0.529175 0.981501 0.207792 O\n0.736936 0.231426 0.292146 O\n0.236898 0.731436 0.292139 O\n0.528840 0.268527 0.707721 O\n0.028737 0.768565 0.707773 O\n0.737036 0.018557 0.792102 O\n0.237089 0.518519 0.792198 O\n",
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{
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"structure_string": "Mg3 Re1\n1.0\n4.154727 0.000000 0.000000\n0.000000 4.154727 0.000000\n0.000000 0.000000 4.154727\nMg Re\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Re\n",
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{
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