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{
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{
"id": "mp-1218646",
"created_at": "2022-09-04T14:45:16.015541Z",
"structure_string": "Sr1 Gd2 Fe3 O9\n1.0\n2.757392 -4.775943 0.000000\n2.757392 4.775943 0.000000\n0.000000 0.000000 6.728955\nSr Gd Fe O\n1 2 3 9\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.850906 Gd\n0.333333 0.666667 0.149094 Gd\n0.666667 0.333333 0.338582 Fe\n0.333333 0.666667 0.661418 Fe\n0.000000 0.000000 0.000000 Fe\n0.827260 0.172740 0.154389 O\n0.500000 0.500000 0.500000 O\n0.172740 0.827260 0.845611 O\n0.000000 0.500000 0.500000 O\n0.654520 0.827260 0.845611 O\n0.345480 0.172740 0.154389 O\n0.827260 0.654520 0.154389 O\n0.500000 0.000000 0.500000 O\n0.172740 0.345480 0.845611 O\n",
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{
"id": "mp-600174",
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"structure_string": "H16 Pb4 C8 O24\n1.0\n7.849585 0.000000 0.000000\n0.000000 8.176567 0.000000\n0.000000 0.000000 9.337797\nH Pb C O\n16 4 8 24\ndirect\n0.348957 0.051733 0.178765 H\n0.151147 0.312653 0.413557 H\n0.151043 0.051733 0.178765 H\n0.348957 0.448267 0.678765 H\n0.848853 0.687347 0.586443 H\n0.848957 0.551733 0.321235 H\n0.651043 0.551733 0.321235 H\n0.848957 0.948267 0.821235 H\n0.651147 0.812653 0.086443 H\n0.151043 0.448267 0.678765 H\n0.151147 0.187347 0.913557 H\n0.348853 0.187347 0.913557 H\n0.651043 0.948267 0.821235 H\n0.348853 0.312653 0.413557 H\n0.848853 0.812653 0.086443 H\n0.651147 0.687347 0.586443 H\n0.250000 0.477861 0.104899 Pb\n0.750000 0.522139 0.895101 Pb\n0.750000 0.977861 0.395101 Pb\n0.250000 0.022139 0.604899 Pb\n0.650858 0.260196 0.643093 C\n0.849142 0.239804 0.143093 C\n0.650858 0.239804 0.143093 C\n0.150858 0.760196 0.856907 C\n0.349142 0.739804 0.356907 C\n0.349142 0.760196 0.856907 C\n0.150858 0.739804 0.356907 C\n0.849142 0.260196 0.643093 C\n0.575654 0.159172 0.561536 O\n0.750000 0.767756 0.136609 O\n0.250000 0.267756 0.363391 O\n0.575895 0.362861 0.723057 O\n0.750000 0.732244 0.636609 O\n0.075895 0.637139 0.276943 O\n0.750000 0.500671 0.367679 O\n0.250000 0.499329 0.632321 O\n0.575654 0.340828 0.061536 O\n0.750000 0.999329 0.867679 O\n0.575895 0.137139 0.223057 O\n0.075654 0.840828 0.438464 O\n0.424105 0.862861 0.776943 O\n0.075895 0.862861 0.776943 O\n0.924346 0.340828 0.061536 O\n0.250000 0.232244 0.863391 O\n0.424105 0.637139 0.276943 O\n0.075654 0.659172 0.938464 O\n0.424346 0.659172 0.938464 O\n0.250000 0.000671 0.132321 O\n0.924105 0.362861 0.723057 O\n0.924105 0.137139 0.223057 O\n0.424346 0.840828 0.438464 O\n0.924346 0.159172 0.561536 O\n",
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"volume": 599.324628286794,
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"formula_full": "H16 Pb4 C8 O24",
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"updated_at": "2021-11-28T01:36:48.696000Z",
"spacegroup": 62
},
{
"id": "mp-8568",
"created_at": "2022-09-04T14:45:18.884669Z",
"structure_string": "Ca8 Pt2 O12\n1.0\n4.652581 -4.718950 0.000000\n4.652581 4.718950 0.000000\n-0.133685 0.000000 6.625491\nCa Pt O\n8 2 12\ndirect\n0.750000 0.112155 0.387845 Ca\n0.387845 0.750000 0.112155 Ca\n0.112155 0.387845 0.750000 Ca\n0.250000 0.887845 0.612155 Ca\n0.612155 0.250000 0.887845 Ca\n0.887845 0.612155 0.250000 Ca\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.430414 0.201561 0.552795 O\n0.552795 0.430414 0.201561 O\n0.201561 0.552795 0.430414 O\n0.069586 0.947205 0.298439 O\n0.298439 0.069586 0.947205 O\n0.947205 0.298439 0.069586 O\n0.569586 0.798439 0.447205 O\n0.447205 0.569586 0.798439 O\n0.798439 0.447205 0.569586 O\n0.930414 0.052795 0.701561 O\n0.052795 0.701561 0.930414 O\n0.701561 0.930414 0.052795 O\n",
"nsites": 22,
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"elements": [
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"chemical_system": "Ca-O-Pt",
"density": 5.152831644042038,
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"volume": 290.9292468085995,
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"formula_full": "Ca8 Pt2 O12",
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"spacegroup": 167
},
{
"id": "mp-10497",
"created_at": "2022-09-04T14:45:11.039175Z",
"structure_string": "Sr2 C4\n1.0\n2.215047 3.543685 0.000000\n-2.215047 3.543685 0.000000\n0.000000 2.487071 7.497215\nSr C\n2 4\ndirect\n0.179600 0.820400 0.250000 Sr\n0.820400 0.179600 0.750000 Sr\n0.422114 0.123543 0.440563 C\n0.876457 0.577886 0.059437 C\n0.123543 0.422114 0.940563 C\n0.577886 0.876457 0.559437 C\n",
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"volume": 117.69771110435197,
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"formula_full": "Sr2 C4",
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"updated_at": "2021-11-28T01:36:49.120000Z",
"spacegroup": 15
},
{
"id": "mp-3521",
"created_at": "2022-09-04T14:45:14.373864Z",
"structure_string": "Na2 B2 F8\n1.0\n3.149709 -3.466743 0.000000\n3.149709 3.466743 0.000000\n0.000000 0.000000 6.917624\nNa B F\n2 2 8\ndirect\n0.347603 0.347603 0.250000 Na\n0.652397 0.652397 0.750000 Na\n0.842532 0.842532 0.250000 B\n0.157468 0.157468 0.750000 B\n0.709851 0.709851 0.415886 F\n0.290149 0.290149 0.915886 F\n0.709851 0.709851 0.084114 F\n0.290149 0.290149 0.584114 F\n0.860586 0.192479 0.750000 F\n0.139414 0.807521 0.250000 F\n0.192479 0.860586 0.750000 F\n0.807521 0.139414 0.250000 F\n",
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"elements": [
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],
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"density": 2.4136827403249046,
"density_atomic": 0.0794332293248912,
"volume": 151.07027753987686,
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"formula_full": "Na2 B2 F8",
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},
{
"id": "mp-1105785",
"created_at": "2022-09-04T14:47:12.552920Z",
"structure_string": "Li4 H8 N4\n1.0\n3.661257 0.000000 0.000000\n0.000000 3.757186 0.000000\n0.000000 0.067966 8.598198\nLi H N\n4 8 4\ndirect\n0.754616 0.247111 0.493317 Li\n0.254616 0.752889 0.006683 Li\n0.245384 0.752889 0.506683 Li\n0.745384 0.247111 0.993317 Li\n0.394883 0.119210 0.207576 H\n0.894883 0.880790 0.292424 H\n0.605117 0.880790 0.792424 H\n0.105117 0.119210 0.707576 H\n0.570395 0.609414 0.305384 H\n0.070395 0.390586 0.194616 H\n0.429605 0.390586 0.694616 H\n0.929605 0.609414 0.805384 H\n0.756132 0.750029 0.877496 N\n0.256132 0.249971 0.622504 N\n0.243868 0.249971 0.122504 N\n0.743868 0.750029 0.377496 N\n",
"nsites": 16,
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"elements": [
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],
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"density": 1.289580126273624,
"density_atomic": 0.13527565030194966,
"volume": 118.27701411367306,
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"formula_full": "Li4 H8 N4",
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"spacegroup": 14
},
{
"id": "mp-1017567",
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"structure_string": "Hf2 S1 N2\n1.0\n1.795005 -3.109040 0.000000\n1.795005 3.109040 0.000000\n0.000000 0.000000 6.424894\nHf S N\n2 1 2\ndirect\n0.666667 0.333333 0.703540 Hf\n0.333333 0.666667 0.296460 Hf\n0.000000 0.000000 0.000000 S\n0.666667 0.333333 0.365307 N\n0.333333 0.666667 0.634693 N\n",
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{
"id": "mp-735022",
"created_at": "2022-09-04T14:47:29.143623Z",
"structure_string": "Sr16 P16 H16 O64\n1.0\n8.194012 0.000000 0.000000\n0.000000 9.428394 0.000000\n0.000000 0.000000 18.275780\nSr P H O\n16 16 16 64\ndirect\n0.621540 0.321059 0.374863 Sr\n0.121540 0.178941 0.625137 Sr\n0.378460 0.821059 0.125137 Sr\n0.878460 0.678941 0.874863 Sr\n0.378460 0.678941 0.625137 Sr\n0.878460 0.821059 0.374863 Sr\n0.621540 0.178941 0.874863 Sr\n0.121540 0.321059 0.125137 Sr\n0.369425 0.682490 0.382567 Sr\n0.869425 0.817510 0.617433 Sr\n0.630575 0.182490 0.117433 Sr\n0.130575 0.317510 0.882567 Sr\n0.630575 0.317510 0.617433 Sr\n0.130575 0.182490 0.382567 Sr\n0.369425 0.817510 0.882567 Sr\n0.869425 0.682490 0.117433 Sr\n0.751685 0.079398 0.495841 P\n0.251685 0.420602 0.504159 P\n0.248315 0.579398 0.004159 P\n0.748315 0.920602 0.995841 P\n0.248315 0.920602 0.504159 P\n0.748315 0.579398 0.495841 P\n0.751685 0.420602 0.995841 P\n0.251685 0.079398 0.004159 P\n0.017841 0.478606 0.294206 P\n0.517841 0.021394 0.705794 P\n0.982159 0.978606 0.205794 P\n0.482159 0.521394 0.794206 P\n0.982159 0.521394 0.705794 P\n0.482159 0.978606 0.294206 P\n0.017841 0.021394 0.794206 P\n0.517841 0.478606 0.205794 P\n0.585702 0.886915 0.496425 H\n0.085702 0.613085 0.503575 H\n0.414298 0.386915 0.003575 H\n0.914298 0.113085 0.996425 H\n0.414298 0.113085 0.503575 H\n0.914298 0.386915 0.496425 H\n0.585702 0.613085 0.996425 H\n0.085702 0.886915 0.003575 H\n0.285860 0.423882 0.281193 H\n0.785860 0.076118 0.718807 H\n0.714140 0.923882 0.218807 H\n0.214140 0.576118 0.781193 H\n0.714140 0.576118 0.718807 H\n0.214140 0.923882 0.281193 H\n0.285860 0.076118 0.781193 H\n0.785860 0.423882 0.218807 H\n0.590202 0.164177 0.496512 O\n0.090202 0.335823 0.503488 O\n0.409798 0.664177 0.003488 O\n0.909798 0.835823 0.996512 O\n0.409798 0.835823 0.503488 O\n0.909798 0.664177 0.496512 O\n0.590202 0.335823 0.996512 O\n0.090202 0.164177 0.003488 O\n0.846488 0.103990 0.424563 O\n0.346488 0.396010 0.575437 O\n0.153512 0.603990 0.075437 O\n0.653512 0.896010 0.924563 O\n0.153512 0.896010 0.575437 O\n0.653512 0.603990 0.424563 O\n0.846488 0.396010 0.924563 O\n0.346488 0.103990 0.075437 O\n0.849218 0.105819 0.566400 O\n0.349218 0.394181 0.433600 O\n0.150782 0.605819 0.933600 O\n0.650782 0.894181 0.066400 O\n0.150782 0.894181 0.433600 O\n0.650782 0.605819 0.566400 O\n0.849218 0.394181 0.066400 O\n0.349218 0.105819 0.933600 O\n0.708646 0.911944 0.497441 O\n0.208646 0.588056 0.502559 O\n0.291354 0.411944 0.002559 O\n0.791354 0.088056 0.997441 O\n0.291354 0.088056 0.502559 O\n0.791354 0.411944 0.497441 O\n0.708646 0.588056 0.997441 O\n0.208646 0.911944 0.002559 O\n0.076474 0.618837 0.327509 O\n0.576474 0.881163 0.672491 O\n0.923526 0.118837 0.172491 O\n0.423526 0.381163 0.827509 O\n0.923526 0.381163 0.672491 O\n0.423526 0.118837 0.327509 O\n0.076474 0.881163 0.827509 O\n0.576474 0.618837 0.172491 O\n0.171922 0.374153 0.278932 O\n0.671922 0.125847 0.721068 O\n0.828078 0.874153 0.221068 O\n0.328078 0.625847 0.778932 O\n0.828078 0.625847 0.721068 O\n0.328078 0.874153 0.278932 O\n0.171922 0.125847 0.778932 O\n0.671922 0.374153 0.221068 O\n0.941591 0.499326 0.216634 O\n0.441591 0.000674 0.783366 O\n0.058409 0.999326 0.283366 O\n0.558409 0.500674 0.716634 O\n0.058409 0.500674 0.783366 O\n0.558409 0.999326 0.216634 O\n0.941591 0.000674 0.716634 O\n0.441591 0.499326 0.283366 O\n0.909131 0.387746 0.343014 O\n0.409131 0.112254 0.656986 O\n0.090869 0.887746 0.156986 O\n0.590869 0.612254 0.843014 O\n0.090869 0.612254 0.656986 O\n0.590869 0.887746 0.343014 O\n0.909131 0.112254 0.843014 O\n0.409131 0.387746 0.156986 O\n",
"nsites": 112,
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{
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