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{
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"results": [
{
"id": "mp-1026693",
"created_at": "2022-09-04T14:45:53.338239Z",
"structure_string": "Sr1 Mg14 Si1\n1.0\n6.441084 0.000000 0.000000\n-3.220542 5.578141 0.000000\n0.000000 0.000000 10.603883\nSr Mg Si\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Sr\n0.161611 0.830805 0.125000 Mg\n0.176497 0.838248 0.625000 Mg\n0.669195 0.338389 0.125000 Mg\n0.661752 0.323503 0.625000 Mg\n0.669195 0.830805 0.125000 Mg\n0.661752 0.838248 0.625000 Mg\n0.333319 0.166681 0.360560 Mg\n0.333319 0.166681 0.889440 Mg\n0.333319 0.666638 0.360560 Mg\n0.333319 0.666638 0.889440 Mg\n0.833362 0.166681 0.360560 Mg\n0.833362 0.166681 0.889440 Mg\n0.833333 0.666667 0.383236 Mg\n0.833333 0.666667 0.866764 Mg\n0.166667 0.333333 0.125000 Si\n",
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"formula_full": "Sr1 Mg14 Si1",
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{
"id": "mp-1194726",
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"structure_string": "Li8 Se8 O28\n1.0\n5.215916 0.000000 0.000000\n0.000000 8.671537 0.000000\n0.000000 0.000000 14.149583\nLi Se O\n8 8 28\ndirect\n0.408832 0.433141 0.101556 Li\n0.091168 0.066859 0.601556 Li\n0.591168 0.933141 0.898444 Li\n0.908832 0.566859 0.398444 Li\n0.591168 0.566859 0.898444 Li\n0.908832 0.933141 0.398444 Li\n0.408832 0.066859 0.101556 Li\n0.091168 0.433141 0.601556 Li\n0.237379 0.750000 0.218595 Se\n0.262621 0.750000 0.718595 Se\n0.762621 0.250000 0.781405 Se\n0.737379 0.250000 0.281405 Se\n0.390048 0.750000 0.503004 Se\n0.109952 0.750000 0.003004 Se\n0.609952 0.250000 0.496996 Se\n0.890048 0.250000 0.996996 Se\n0.399222 0.590151 0.204777 O\n0.100778 0.909849 0.704777 O\n0.600778 0.090151 0.795223 O\n0.899222 0.409849 0.295223 O\n0.600778 0.409849 0.795223 O\n0.899222 0.090151 0.295223 O\n0.399222 0.909849 0.204777 O\n0.100778 0.590151 0.704777 O\n0.048884 0.750000 0.312347 O\n0.451116 0.750000 0.812347 O\n0.951116 0.250000 0.687653 O\n0.548884 0.250000 0.187653 O\n0.219272 0.590431 0.491988 O\n0.280728 0.909569 0.991988 O\n0.780728 0.090431 0.508012 O\n0.719272 0.409569 0.008012 O\n0.780728 0.409569 0.508012 O\n0.719272 0.090431 0.008012 O\n0.219272 0.909569 0.491988 O\n0.280728 0.590431 0.991988 O\n0.658562 0.750000 0.441751 O\n0.841438 0.750000 0.941751 O\n0.341438 0.250000 0.558249 O\n0.158562 0.250000 0.058249 O\n0.990680 0.750000 0.122872 O\n0.509320 0.750000 0.622872 O\n0.009320 0.250000 0.877128 O\n0.490680 0.250000 0.377128 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
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"Se",
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],
"chemical_system": "Li-O-Se",
"density": 2.94542387019153,
"density_atomic": 0.06875152966413364,
"volume": 639.9857605343428,
"volume_molar": 8.759282578030604,
"formula_full": "Li8 Se8 O28",
"formula_reduced": "Li2Se2O7",
"formula_anonymous": "A2B2C7",
"energy": -249.15574616,
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"updated_at": "2021-11-28T01:37:04.973000Z",
"spacegroup": 62
},
{
"id": "mp-1175547",
"created_at": "2022-09-04T14:45:53.351423Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.897093 0.000000 0.000000\n0.349922 5.893908 0.000000\n2.839973 0.124807 8.106407\nLi Mn Co O\n9 2 5 16\ndirect\n0.126246 0.249343 0.251345 Li\n0.248876 0.996295 0.496286 Li\n0.625466 0.251216 0.248476 Li\n0.758627 0.996731 0.491312 Li\n0.876217 0.749615 0.749048 Li\n0.372479 0.750165 0.751661 Li\n0.490537 0.505041 0.008018 Li\n0.002374 0.503806 0.003864 Li\n0.126113 0.748131 0.248352 Li\n0.000211 0.995992 0.003615 Mn\n0.754139 0.505152 0.500161 Mn\n0.253138 0.502744 0.495117 Co\n0.373693 0.250245 0.749935 Co\n0.493486 0.992918 0.002628 Co\n0.626151 0.749971 0.250942 Co\n0.874662 0.250147 0.750118 Co\n0.883998 0.002633 0.233394 O\n0.988476 0.715419 0.501842 O\n0.403075 0.984745 0.234404 O\n0.518499 0.745047 0.493755 O\n0.640904 0.488700 0.742107 O\n0.147293 0.483295 0.733948 O\n0.240624 0.220318 0.992144 O\n0.768209 0.242402 0.985029 O\n0.368377 0.501433 0.266729 O\n0.507312 0.281058 0.511565 O\n0.849501 0.514265 0.264823 O\n0.978840 0.255502 0.511044 O\n0.105718 0.011796 0.757654 O\n0.600318 0.016301 0.766965 O\n0.758617 0.777231 0.006322 O\n0.237824 0.762343 0.997395 O\n",
"nsites": 32,
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"elements": [
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"Mn",
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.26106874367126,
"density_atomic": 0.11357434589449412,
"volume": 281.7537688460621,
"volume_molar": 5.302377673910901,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.01761693,
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"updated_at": "2021-11-28T01:37:14.742000Z",
"spacegroup": 1
},
{
"id": "mp-26165",
"created_at": "2022-09-04T14:45:53.371336Z",
"structure_string": "Li4 Ni2 P8 O24\n1.0\n7.113028 4.642057 0.000000\n-7.113028 4.642057 0.000000\n0.000000 1.761589 7.427549\nLi Ni P O\n4 2 8 24\ndirect\n0.815659 0.516817 0.750276 Li\n0.516817 0.815659 0.250276 Li\n0.483183 0.184341 0.749724 Li\n0.184341 0.483183 0.249724 Li\n0.127844 0.872156 0.750000 Ni\n0.872156 0.127844 0.250000 Ni\n0.206656 0.063004 0.328218 P\n0.063004 0.206656 0.828218 P\n0.793344 0.936996 0.671782 P\n0.936996 0.793344 0.171782 P\n0.424440 0.772079 0.877242 P\n0.772079 0.424440 0.377242 P\n0.227921 0.575560 0.622758 P\n0.575560 0.227921 0.122758 P\n0.103520 0.172197 0.333136 O\n0.270499 0.016902 0.493073 O\n0.896480 0.827803 0.666864 O\n0.729501 0.983098 0.506927 O\n0.827803 0.896480 0.166864 O\n0.983098 0.729501 0.006927 O\n0.631253 0.834967 0.839039 O\n0.834967 0.631253 0.339039 O\n0.376833 0.920038 0.812027 O\n0.920038 0.376833 0.312027 O\n0.683580 0.365406 0.571231 O\n0.370641 0.629359 0.750000 O\n0.889864 0.110136 0.750000 O\n0.634594 0.316420 0.928769 O\n0.365406 0.683580 0.071231 O\n0.110136 0.889864 0.250000 O\n0.629359 0.370641 0.250000 O\n0.316420 0.634594 0.428769 O\n0.079962 0.623167 0.687973 O\n0.623167 0.079962 0.187973 O\n0.165033 0.368747 0.660961 O\n0.368747 0.165033 0.160961 O\n0.016902 0.270499 0.993073 O\n0.172197 0.103520 0.833136 O\n",
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"elements": [
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"O"
],
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"density": 2.6301984761396136,
"density_atomic": 0.07747170040007398,
"volume": 490.5016903432226,
"volume_molar": 7.773342690170577,
"formula_full": "Li4 Ni2 P8 O24",
"formula_reduced": "Li2Ni(PO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -277.76973216,
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"spacegroup": 15
},
{
"id": "mp-1226936",
"created_at": "2022-09-04T14:45:53.395638Z",
"structure_string": "Cd4 Mo1 W3 O16\n1.0\n5.965261 5.116674 0.000000\n-5.965261 5.116674 0.000000\n0.000000 0.202247 5.183234\nCd Mo W O\n4 1 3 16\ndirect\n0.595479 0.899656 0.498693 Cd\n0.100344 0.404521 0.501307 Cd\n0.403960 0.095988 0.001933 Cd\n0.904012 0.596040 0.998067 Cd\n0.589144 0.410856 0.500000 Mo\n0.413400 0.586600 0.000000 W\n0.913513 0.086487 0.000000 W\n0.085718 0.914282 0.500000 W\n0.435310 0.806753 0.861886 O\n0.935517 0.306236 0.862205 O\n0.693764 0.064483 0.137795 O\n0.193247 0.564690 0.138114 O\n0.564449 0.195344 0.636573 O\n0.063042 0.694100 0.636000 O\n0.305900 0.936958 0.364000 O\n0.804656 0.435551 0.363427 O\n0.148583 0.053174 0.801456 O\n0.648172 0.552811 0.798078 O\n0.447189 0.351828 0.201922 O\n0.946826 0.851417 0.198544 O\n0.850794 0.947561 0.698810 O\n0.350387 0.445844 0.703546 O\n0.554156 0.649613 0.296454 O\n0.052439 0.149206 0.301190 O\n",
"nsites": 24,
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"elements": [
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],
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"formula_full": "Cd4 Mo1 W3 O16",
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"spacegroup": 5
},
{
"id": "mp-1176162",
"created_at": "2022-09-04T14:45:53.327422Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.869066 0.000000 0.000000\n-2.870936 5.129450 0.000000\n-1.401730 -1.171448 9.559029\nLi Mn Co O\n9 2 5 16\ndirect\n0.251772 0.135851 0.741965 Li\n0.995676 0.243625 0.502168 Li\n0.749074 0.375286 0.251384 Li\n0.504290 0.503072 0.998090 Li\n0.252021 0.625707 0.747575 Li\n0.997374 0.747453 0.501359 Li\n0.746968 0.867789 0.258670 Li\n0.501450 0.003041 0.996256 Li\n0.748876 0.622382 0.749097 Li\n0.995666 0.998174 0.995791 Mn\n0.997704 0.503744 0.995144 Mn\n0.506406 0.255024 0.507926 Co\n0.249482 0.879328 0.253750 Co\n0.752410 0.129871 0.750455 Co\n0.509064 0.747538 0.507990 Co\n0.254746 0.380183 0.252283 Co\n0.111831 0.799723 0.890420 O\n0.848548 0.940589 0.629196 O\n0.605145 0.053117 0.378654 O\n0.350097 0.183785 0.126464 O\n0.107418 0.325562 0.869126 O\n0.853634 0.399125 0.634279 O\n0.616749 0.551596 0.380617 O\n0.347247 0.679589 0.123036 O\n0.377423 0.428726 0.612860 O\n0.150425 0.569287 0.373426 O\n0.878987 0.668198 0.119267 O\n0.655675 0.850968 0.868230 O\n0.400963 0.951166 0.633829 O\n0.131749 0.059776 0.365127 O\n0.896029 0.207658 0.111487 O\n0.655098 0.313072 0.874074 O\n",
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],
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.35562989,
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{
"id": "mp-29775",
"created_at": "2022-09-04T14:45:53.335455Z",
"structure_string": "Sr8 Pd2 O12\n1.0\n4.909189 -4.921379 0.000000\n4.909189 4.921379 0.000000\n-0.024410 0.000000 6.951223\nSr Pd O\n8 2 12\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.250000 0.620059 0.879941 Sr\n0.879941 0.250000 0.620059 Sr\n0.620059 0.879941 0.250000 Sr\n0.750000 0.379941 0.120059 Sr\n0.120059 0.750000 0.379941 Sr\n0.379941 0.120059 0.750000 Sr\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.071899 0.286144 0.942685 O\n0.942685 0.071899 0.286144 O\n0.286144 0.942685 0.071899 O\n0.428101 0.557315 0.213856 O\n0.213856 0.428101 0.557315 O\n0.557315 0.213856 0.428101 O\n0.928101 0.713856 0.057315 O\n0.057315 0.928101 0.713856 O\n0.713856 0.057315 0.928101 O\n0.571899 0.442685 0.786144 O\n0.442685 0.786144 0.571899 O\n0.786144 0.571899 0.442685 O\n",
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"density": 5.466823772474195,
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"volume": 335.88281246789876,
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"formula_full": "Sr8 Pd2 O12",
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"energy": -140.06738563,
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"spacegroup": 167
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{
"id": "mp-772134",
"created_at": "2022-09-04T14:45:53.335744Z",
"structure_string": "Li2 Cr3 Ni1 S6 O24\n1.0\n4.225564 2.449580 7.619145\n-4.098807 2.456622 7.545572\n0.069624 -4.825681 7.556487\nLi Cr Ni S O\n2 3 1 6 24\ndirect\n0.182101 0.425915 0.765815 Li\n0.765222 0.183496 0.428051 Li\n0.356531 0.356734 0.346131 Cr\n0.641385 0.643977 0.645082 Cr\n0.846344 0.849635 0.853390 Cr\n0.162304 0.148048 0.155683 Ni\n0.035933 0.747021 0.464480 S\n0.541060 0.953843 0.256372 S\n0.251179 0.549347 0.948253 S\n0.756463 0.464475 0.033358 S\n0.460770 0.036106 0.755274 S\n0.951526 0.250493 0.547373 S\n0.000521 0.955075 0.344588 O\n0.025995 0.706971 0.658862 O\n0.353951 0.968594 0.290928 O\n0.045745 0.684210 0.976543 O\n0.489789 0.896180 0.693903 O\n0.232220 0.620592 0.377376 O\n0.674137 0.979643 0.050250 O\n0.379279 0.636536 0.752003 O\n0.296234 0.516546 0.098433 O\n0.100822 0.294652 0.515505 O\n0.633994 0.757035 0.382111 O\n0.280951 0.363091 0.952954 O\n0.717915 0.656401 0.022550 O\n0.375215 0.237221 0.629448 O\n0.889176 0.696663 0.495016 O\n0.694261 0.491779 0.895900 O\n0.642108 0.369336 0.232792 O\n0.339174 0.003139 0.959247 O\n0.753218 0.381271 0.634859 O\n0.519879 0.103392 0.299603 O\n0.965778 0.338219 0.993152 O\n0.656326 0.023728 0.711383 O\n0.957650 0.277831 0.362451 O\n0.975140 0.046000 0.682180 O\n",
"nsites": 36,
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"elements": [
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],
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"formula_full": "Li2 Cr3 Ni1 S6 O24",
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{
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],
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},
{
"id": "mp-1175252",
"created_at": "2022-09-04T14:45:53.337480Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n-2.968187 0.000000 0.000000\n1.122245 7.571897 0.000000\n-0.276090 -3.054268 -9.699072\nLi Mn Co O\n7 4 1 12\ndirect\n0.819661 0.656550 0.758215 Li\n0.166158 0.334565 0.255521 Li\n0.500232 0.997565 0.746998 Li\n0.180454 0.344646 0.754275 Li\n0.487806 0.988916 0.243161 Li\n0.844723 0.677127 0.240920 Li\n0.332536 0.666534 0.000013 Li\n0.004208 0.992598 0.003786 Mn\n0.662801 0.341100 0.996144 Mn\n0.329687 0.663561 0.499279 Mn\n0.004906 0.002796 0.499622 Mn\n0.665298 0.333446 0.500761 Co\n0.462324 0.860754 0.891892 O\n0.708709 0.491871 0.382723 O\n0.104254 0.179670 0.893704 O\n0.735991 0.486211 0.882297 O\n0.049804 0.171109 0.386118 O\n0.374959 0.826550 0.379989 O\n0.283249 0.500253 0.616466 O\n0.561998 0.153469 0.105873 O\n0.959331 0.838276 0.618920 O\n0.624032 0.171403 0.615699 O\n0.932947 0.849038 0.118978 O\n0.203933 0.471991 0.108647 O\n",
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],
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{
"id": "mp-569118",
"created_at": "2022-09-04T14:45:53.338420Z",
"structure_string": "Cs6 Mn2 I10\n1.0\n-5.230143 5.230143 8.399372\n5.230143 -5.230143 8.399372\n5.230143 5.230143 -8.399372\nCs Mn I\n6 2 10\ndirect\n0.843808 0.656192 0.500000 Cs\n0.750000 0.750000 0.000000 Cs\n0.343808 0.843808 0.187617 Cs\n0.156192 0.343808 0.500000 Cs\n0.250000 0.250000 0.000000 Cs\n0.656192 0.156192 0.812383 Cs\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.491166 0.699885 0.500000 I\n0.508834 0.300115 0.500000 I\n0.699885 0.199885 0.208719 I\n0.800115 0.008834 0.500000 I\n0.500000 0.500000 0.000000 I\n0.199885 0.991166 0.500000 I\n0.008834 0.508834 0.208719 I\n0.300115 0.800115 0.791281 I\n0.991166 0.491166 0.791281 I\n0.000000 0.000000 0.000000 I\n",
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},
{
"id": "mp-673874",
"created_at": "2022-09-04T14:45:53.339524Z",
"structure_string": "Ba9 Nd2 S12\n1.0\n6.718318 3.880802 0.000000\n-6.718318 3.880802 0.000000\n0.000000 2.587363 14.529258\nBa Nd S\n9 2 12\ndirect\n0.241366 0.241366 0.239485 Ba\n0.500000 0.500000 0.500000 Ba\n0.758634 0.758634 0.760515 Ba\n0.079041 0.401507 0.761059 Ba\n0.598493 0.920959 0.238941 Ba\n0.831359 0.168641 0.500000 Ba\n0.920959 0.598493 0.238941 Ba\n0.168641 0.831359 0.500000 Ba\n0.401507 0.079041 0.761059 Ba\n0.332773 0.667227 0.000000 Nd\n0.667227 0.332773 0.000000 Nd\n0.594144 0.594144 0.109694 S\n0.875015 0.875015 0.372871 S\n0.962627 0.331932 0.109123 S\n0.124985 0.124985 0.627129 S\n0.209413 0.542544 0.368728 S\n0.405856 0.405856 0.890306 S\n0.331932 0.962627 0.109123 S\n0.457456 0.790587 0.631272 S\n0.542544 0.209413 0.368728 S\n0.668068 0.037373 0.890877 S\n0.790587 0.457456 0.631272 S\n0.037373 0.668068 0.890877 S\n",
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]
}