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{
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{
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{
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"structure_string": "H24 C4 N24 O16\n1.0\n8.493947 0.000000 0.000000\n-3.552983 -8.745507 0.000000\n-3.638992 0.501785 -9.326117\nH C N O\n24 4 24 16\ndirect\n0.643831 0.010825 0.420270 H\n0.356169 0.989175 0.579730 H\n0.075814 0.727375 0.886016 H\n0.924186 0.272625 0.113984 H\n0.296392 0.758722 0.115060 H\n0.703608 0.241278 0.884940 H\n0.102496 0.211704 0.642304 H\n0.897504 0.788296 0.357696 H\n0.604528 0.861534 0.535758 H\n0.395472 0.138466 0.464242 H\n0.946777 0.181433 0.467207 H\n0.053223 0.818567 0.532793 H\n0.846678 0.653516 0.863685 H\n0.153322 0.346484 0.136315 H\n0.919187 0.569043 0.229216 H\n0.080813 0.430957 0.770784 H\n0.811222 0.906032 0.776482 H\n0.188778 0.093968 0.223518 H\n0.756373 0.567954 0.064812 H\n0.243627 0.432046 0.935188 H\n0.233751 0.679349 0.261009 H\n0.766249 0.320651 0.738991 H\n0.033141 0.039299 0.813830 H\n0.966859 0.960701 0.186170 H\n0.857643 0.032850 0.608851 C\n0.142357 0.967150 0.391149 C\n0.021673 0.663473 0.070637 C\n0.978327 0.336527 0.929363 C\n0.560512 0.184712 0.034380 N\n0.439488 0.815288 0.965620 N\n0.303559 0.485745 0.635348 N\n0.696441 0.514255 0.364652 N\n0.604051 0.155524 0.177180 N\n0.395949 0.844476 0.822820 N\n0.482926 0.550621 0.722863 N\n0.517074 0.449379 0.277137 N\n0.379207 0.152396 0.953268 N\n0.620793 0.847604 0.046732 N\n0.257078 0.543267 0.501854 N\n0.742922 0.456733 0.498146 N\n0.978669 0.695713 0.931856 N\n0.021331 0.304287 0.068144 N\n0.907007 0.982387 0.740909 N\n0.092993 0.017613 0.259091 N\n0.196161 0.698584 0.154065 N\n0.803839 0.301416 0.845935 N\n0.691204 0.960637 0.512969 N\n0.308796 0.039363 0.487031 N\n0.890184 0.597641 0.125411 N\n0.109816 0.402359 0.874589 N\n0.974793 0.155141 0.571778 N\n0.025207 0.844859 0.428222 N\n0.508547 0.524501 0.852542 O\n0.491453 0.475499 0.147458 O\n0.353057 0.163160 0.822043 O\n0.646943 0.836840 0.177957 O\n0.107428 0.459263 0.415416 O\n0.892572 0.540737 0.584584 O\n0.493968 0.089369 0.238676 O\n0.506032 0.910631 0.761324 O\n0.610607 0.619444 0.678477 O\n0.389393 0.380556 0.321523 O\n0.773669 0.198811 0.241829 O\n0.226331 0.801189 0.758171 O\n0.254536 0.120622 0.001714 O\n0.745464 0.879378 0.998286 O\n0.346840 0.672818 0.470957 O\n0.653160 0.327182 0.529043 O\n",
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"formula_full": "H24 C4 N24 O16",
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"spacegroup": 2
},
{
"id": "mp-1218031",
"created_at": "2022-09-04T14:39:58.984421Z",
"structure_string": "Sr1 Pb3 S4\n1.0\n13.945271 -2.137741 0.000000\n13.945271 2.137741 0.000000\n13.617566 0.000000 3.688146\nSr Pb S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249808 0.249808 0.249808 Pb\n0.500000 0.500000 0.500000 Pb\n0.750192 0.750192 0.750192 Pb\n0.125090 0.125090 0.125090 S\n0.374800 0.374800 0.374800 S\n0.625200 0.625200 0.625200 S\n0.874910 0.874910 0.874910 S\n",
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"volume": 219.8974258993052,
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"formula_full": "Sr1 Pb3 S4",
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{
"id": "mp-1247196",
"created_at": "2022-09-04T14:39:44.205549Z",
"structure_string": "K4 Cd4 N4\n1.0\n7.509644 0.000000 0.000000\n0.000000 4.260332 0.000000\n0.000000 0.000000 6.893782\nK Cd N\n4 4 4\ndirect\n0.544199 0.250000 0.849060 K\n0.044199 0.250000 0.650940 K\n0.455801 0.750000 0.150940 K\n0.955801 0.750000 0.349060 K\n0.643517 0.250000 0.414147 Cd\n0.143517 0.250000 0.085853 Cd\n0.356483 0.750000 0.585853 Cd\n0.856483 0.750000 0.914147 Cd\n0.826331 0.250000 0.112104 N\n0.326331 0.250000 0.387896 N\n0.173669 0.750000 0.887896 N\n0.673669 0.750000 0.612104 N\n",
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],
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"density": 4.984581848587224,
"density_atomic": 0.05440776758556297,
"volume": 220.55674276891642,
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"formula_full": "K4 Cd4 N4",
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{
"id": "mp-859103",
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"structure_string": "Li2 Ni4 P10 O30\n1.0\n13.023633 0.000000 0.000000\n0.000000 5.136788 0.000000\n0.000000 1.783819 8.346329\nLi Ni P O\n2 4 10 30\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.913469 0.865692 0.149266 Ni\n0.586531 0.865692 0.149266 Ni\n0.413469 0.134308 0.850734 Ni\n0.086531 0.134308 0.850734 Ni\n0.362151 0.974482 0.505730 P\n0.137849 0.974482 0.505730 P\n0.929894 0.656737 0.812504 P\n0.570106 0.656737 0.812504 P\n0.250000 0.557974 0.972640 P\n0.750000 0.442026 0.027360 P\n0.429894 0.343263 0.187496 P\n0.070106 0.343263 0.187496 P\n0.637849 0.025518 0.494270 P\n0.862151 0.025518 0.494270 P\n0.750000 0.951017 0.446789 O\n0.962147 0.850439 0.917691 O\n0.537853 0.850439 0.917691 O\n0.250000 0.836165 0.875766 O\n0.868492 0.810947 0.664696 O\n0.631508 0.810947 0.664696 O\n0.571127 0.921437 0.374638 O\n0.928873 0.921437 0.374638 O\n0.372440 0.700479 0.480297 O\n0.127560 0.700479 0.480297 O\n0.846185 0.458003 0.907025 O\n0.653815 0.458003 0.907025 O\n0.012522 0.485967 0.763407 O\n0.487478 0.485967 0.763407 O\n0.750000 0.680950 0.105781 O\n0.250000 0.319050 0.894219 O\n0.512522 0.514033 0.236593 O\n0.987478 0.514033 0.236593 O\n0.346185 0.541997 0.092975 O\n0.153815 0.541997 0.092975 O\n0.872440 0.299521 0.519703 O\n0.627560 0.299521 0.519703 O\n0.428873 0.078563 0.625362 O\n0.071127 0.078563 0.625362 O\n0.368492 0.189053 0.335304 O\n0.131508 0.189053 0.335304 O\n0.750000 0.163835 0.124234 O\n0.462147 0.149561 0.082309 O\n0.037853 0.149561 0.082309 O\n0.250000 0.048983 0.553211 O\n",
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"formula_full": "Li2 Ni4 P10 O30",
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{
"id": "mp-37749",
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"structure_string": "Na20 Fe8 O18\n1.0\n5.542864 6.835674 0.000000\n-5.542864 6.835674 0.000000\n0.000000 2.505670 8.461222\nNa Fe O\n20 8 18\ndirect\n0.267573 0.737708 0.019637 Na\n0.434062 0.125695 0.116022 Na\n0.125695 0.434062 0.116022 Na\n0.729755 0.989872 0.269583 Na\n0.989872 0.729755 0.269583 Na\n0.798004 0.536752 0.186206 Na\n0.536752 0.798004 0.186206 Na\n0.143196 0.143196 0.438057 Na\n0.838687 0.220394 0.391496 Na\n0.220394 0.838687 0.391496 Na\n0.501985 0.501985 0.495934 Na\n0.994758 0.261404 0.735710 Na\n0.691508 0.146044 0.745775 Na\n0.146044 0.691508 0.745775 Na\n0.880562 0.880562 0.568506 Na\n0.283925 0.283925 0.848741 Na\n0.261404 0.994758 0.735710 Na\n0.872522 0.558077 0.863394 Na\n0.558077 0.872522 0.863394 Na\n0.737708 0.267573 0.019637 Na\n0.088580 0.088580 0.093934 Fe\n0.467343 0.467343 0.178804 Fe\n0.471903 0.172921 0.464306 Fe\n0.172921 0.471903 0.464306 Fe\n0.535805 0.823285 0.532051 Fe\n0.823285 0.535805 0.532051 Fe\n0.532313 0.532313 0.834570 Fe\n0.902837 0.902837 0.923757 Fe\n0.007215 0.695183 0.009469 O\n0.695183 0.007215 0.009469 O\n0.610968 0.610968 0.009903 O\n0.302637 0.613743 0.297131 O\n0.613743 0.302637 0.297131 O\n0.992425 0.406559 0.379480 O\n0.406559 0.992425 0.379480 O\n0.999966 0.999966 0.711965 O\n0.694822 0.694822 0.385527 O\n0.274226 0.274226 0.591604 O\n0.992950 0.992950 0.304261 O\n0.003181 0.620609 0.593323 O\n0.620609 0.003181 0.593323 O\n0.400199 0.719345 0.723055 O\n0.719345 0.400199 0.723055 O\n0.392195 0.392195 0.005708 O\n0.001655 0.296551 0.988325 O\n0.296551 0.001655 0.988325 O\n",
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"formula_full": "Na20 Fe8 O18",
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},
{
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"structure_string": "Pd2 Se2 O6\n1.0\n3.562845 3.617920 0.000000\n-3.562845 3.617920 0.000000\n0.000000 3.543579 6.345808\nPd Se O\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.666528 0.666528 0.155602 Se\n0.333472 0.333472 0.844398 Se\n0.434611 0.043959 0.779965 O\n0.043959 0.434611 0.779965 O\n0.610755 0.610755 0.634715 O\n0.565389 0.956041 0.220035 O\n0.389245 0.389245 0.365285 O\n0.956041 0.565389 0.220035 O\n",
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{
"id": "mp-774946",
"created_at": "2022-09-04T14:39:47.396780Z",
"structure_string": "Li8 V12 Sn4 O32\n1.0\n8.568837 0.000000 0.000000\n0.000000 8.585292 0.000000\n0.000000 0.000000 8.588938\nLi V Sn O\n8 12 4 32\ndirect\n0.625389 0.374690 0.874412 Li\n0.501363 0.996777 0.001853 Li\n0.498637 0.496777 0.498147 Li\n0.374611 0.874690 0.625588 Li\n0.125389 0.125310 0.125588 Li\n0.001363 0.503223 0.998147 Li\n0.998637 0.003223 0.501853 Li\n0.874611 0.625310 0.374412 Li\n0.636736 0.625597 0.127562 V\n0.635629 0.858681 0.371572 V\n0.625530 0.131047 0.632417 V\n0.374470 0.631047 0.867583 V\n0.364371 0.358681 0.128428 V\n0.363264 0.125597 0.372438 V\n0.136736 0.874403 0.872438 V\n0.135629 0.641319 0.628428 V\n0.125530 0.368953 0.367583 V\n0.874470 0.868953 0.132417 V\n0.864371 0.141319 0.871572 V\n0.863264 0.374403 0.627562 V\n0.745390 0.246973 0.251178 Sn\n0.254610 0.746973 0.248822 Sn\n0.245390 0.253027 0.748822 Sn\n0.754610 0.753027 0.751178 Sn\n0.638897 0.357357 0.624771 O\n0.650186 0.118130 0.864852 O\n0.635982 0.865127 0.143934 O\n0.619025 0.646851 0.362590 O\n0.624462 0.884617 0.609552 O\n0.610179 0.109354 0.386506 O\n0.609114 0.383962 0.122400 O\n0.616658 0.621350 0.884298 O\n0.383342 0.121350 0.615702 O\n0.390886 0.883962 0.377600 O\n0.389821 0.609354 0.113494 O\n0.375538 0.384617 0.890448 O\n0.380975 0.146851 0.137410 O\n0.364018 0.365127 0.356066 O\n0.349814 0.618130 0.635148 O\n0.361103 0.857357 0.875229 O\n0.138897 0.142643 0.375229 O\n0.150186 0.381870 0.135148 O\n0.135982 0.634873 0.856066 O\n0.119025 0.853149 0.637410 O\n0.124462 0.615383 0.390448 O\n0.110179 0.390646 0.613494 O\n0.109114 0.116038 0.877600 O\n0.116658 0.878650 0.115702 O\n0.883342 0.378650 0.384298 O\n0.890886 0.616038 0.622400 O\n0.889821 0.890646 0.886506 O\n0.875538 0.115383 0.109552 O\n0.880975 0.353149 0.862590 O\n0.864018 0.134873 0.643934 O\n0.849814 0.881870 0.364852 O\n0.861103 0.642643 0.124771 O\n",
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{
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"structure_string": "Sr1 S1 O4\n1.0\n0.000000 3.611578 3.611578\n3.611578 0.000000 3.611578\n3.611578 3.611578 0.000000\nSr S O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 S\n0.881057 0.881057 0.881057 O\n0.356829 0.881057 0.881057 O\n0.881057 0.356829 0.881057 O\n0.881057 0.881057 0.356829 O\n",
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}