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{
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"results": [
{
"id": "mp-1175769",
"created_at": "2022-09-04T14:48:09.913207Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.914632 0.000000 0.000000\n-1.649649 -6.246423 0.000000\n-1.828622 0.303454 -7.650063\nLi Mn Co O\n9 2 5 16\ndirect\n0.124642 0.623611 0.872671 Li\n0.744320 0.259436 0.740449 Li\n0.996028 0.502689 0.497012 Li\n0.624466 0.131464 0.378155 Li\n0.871803 0.380618 0.130324 Li\n0.502408 0.997039 0.002448 Li\n0.379829 0.865773 0.616402 Li\n0.256802 0.740950 0.259958 Li\n0.500760 0.503388 0.498654 Li\n0.001239 0.996903 0.000558 Mn\n0.251922 0.253822 0.746167 Mn\n0.628794 0.623037 0.869015 Co\n0.869975 0.872307 0.622541 Co\n0.125487 0.126526 0.374595 Co\n0.743908 0.746608 0.257234 Co\n0.374188 0.376999 0.134884 Co\n0.928726 0.700426 0.053033 O\n0.552067 0.323153 0.920141 O\n0.812334 0.585966 0.686217 O\n0.400894 0.185129 0.573309 O\n0.677513 0.441858 0.296037 O\n0.304869 0.070926 0.173255 O\n0.164403 0.952343 0.817848 O\n0.050772 0.826262 0.425169 O\n0.319606 0.552245 0.704368 O\n0.946293 0.179140 0.576359 O\n0.184270 0.413126 0.311568 O\n0.841532 0.050028 0.177357 O\n0.084875 0.297088 0.934895 O\n0.696690 0.926119 0.829399 O\n0.586775 0.822611 0.440323 O\n0.451816 0.672408 0.079650 O\n",
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],
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"volume": 282.63382176770216,
"volume_molar": 5.318939556943295,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"updated_at": "2021-11-28T01:38:33.716000Z",
"spacegroup": 1
},
{
"id": "mp-760237",
"created_at": "2022-09-04T14:41:20.479083Z",
"structure_string": "Na1 V5 O8\n1.0\n1.455093 5.329602 0.000000\n-1.455093 5.329602 0.000000\n0.000000 2.135229 10.002621\nNa V O\n1 5 8\ndirect\n0.500000 0.500000 0.500000 Na\n0.262649 0.262649 0.369619 V\n0.266032 0.266032 0.872519 V\n0.500000 0.500000 0.000000 V\n0.737351 0.737351 0.630381 V\n0.733968 0.733968 0.127481 V\n0.147787 0.147787 0.556211 O\n0.342984 0.342984 0.688658 O\n0.127144 0.127144 0.054765 O\n0.353063 0.353063 0.169246 O\n0.657016 0.657016 0.311342 O\n0.646937 0.646937 0.830754 O\n0.852213 0.852213 0.443789 O\n0.872856 0.872856 0.945235 O\n",
"nsites": 14,
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"elements": [
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"V",
"O"
],
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"density": 4.342268803417486,
"density_atomic": 0.09023991894731463,
"volume": 155.14198331864318,
"volume_molar": 6.673477580931722,
"formula_full": "Na1 V5 O8",
"formula_reduced": "NaV5O8",
"formula_anonymous": "AB5C8",
"energy": -119.0364726,
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"updated_at": "2021-11-28T01:35:25.103000Z",
"spacegroup": 12
},
{
"id": "mp-1174433",
"created_at": "2022-09-04T14:40:27.702573Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.896660 0.000000 0.000000\n1.582956 6.323311 0.000000\n2.852286 2.592791 6.643334\nLi Mn Co O\n8 2 4 14\ndirect\n0.641989 0.285710 0.073836 Li\n0.928363 0.860504 0.218345 Li\n0.206630 0.415580 0.368583 Li\n0.500000 0.000000 0.500000 Li\n0.793370 0.584420 0.631417 Li\n0.071637 0.139496 0.781655 Li\n0.358011 0.714290 0.926164 Li\n0.000000 0.000000 0.500000 Li\n0.859796 0.715125 0.924968 Mn\n0.140204 0.284875 0.075032 Mn\n0.415599 0.857264 0.226626 Co\n0.713893 0.430023 0.358660 Co\n0.286107 0.569977 0.641340 Co\n0.584401 0.142736 0.773374 Co\n0.961435 0.433964 0.872893 O\n0.251918 0.018524 0.003457 O\n0.570875 0.581935 0.139838 O\n0.840246 0.169086 0.277202 O\n0.140301 0.710073 0.424907 O\n0.386493 0.296709 0.577232 O\n0.678810 0.846820 0.734450 O\n0.321190 0.153180 0.265550 O\n0.613507 0.703291 0.422768 O\n0.859699 0.289927 0.575093 O\n0.159754 0.830914 0.722798 O\n0.429125 0.418065 0.860162 O\n0.748082 0.981476 0.996543 O\n0.038565 0.566036 0.127107 O\n",
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"O"
],
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"volume": 247.70610878171397,
"volume_molar": 5.327575193554835,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
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"energy": -183.48725687,
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"updated_at": "2021-11-28T01:34:58.122000Z",
"spacegroup": 2
},
{
"id": "mp-1175856",
"created_at": "2022-09-04T14:42:21.132497Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.017645 0.000000 0.000000\n0.515165 9.894769 0.000000\n0.504877 2.064912 9.753974\nLi Mn Co O\n9 2 5 16\ndirect\n0.004614 0.256758 0.124214 Li\n0.493778 0.743520 0.130129 Li\n0.496924 0.254559 0.372720 Li\n0.992910 0.749843 0.373404 Li\n0.007090 0.250157 0.626596 Li\n0.503076 0.745441 0.627280 Li\n0.506222 0.256480 0.869871 Li\n0.995386 0.743242 0.875786 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500318 0.001274 0.249796 Co\n0.001100 0.498584 0.241557 Co\n0.500000 0.500000 0.500000 Co\n0.499682 0.998726 0.750204 Co\n0.998900 0.501416 0.758443 Co\n0.529322 0.117041 0.067975 O\n0.005447 0.616046 0.084147 O\n0.030672 0.113863 0.315082 O\n0.530349 0.614355 0.320990 O\n0.530348 0.115965 0.568845 O\n0.991169 0.610440 0.573721 O\n0.032032 0.112530 0.814834 O\n0.515286 0.614446 0.808013 O\n0.484714 0.385554 0.191987 O\n0.967968 0.887470 0.185166 O\n0.008831 0.389560 0.426279 O\n0.469652 0.884035 0.431155 O\n0.469651 0.385645 0.679010 O\n0.969328 0.886137 0.684918 O\n0.994553 0.383954 0.915853 O\n0.470678 0.882959 0.932025 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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],
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"density": 4.122236210999955,
"density_atomic": 0.10987390944637568,
"volume": 291.24293620968956,
"volume_molar": 5.48095611628266,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"energy": -207.12242831,
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"updated_at": "2021-11-28T01:35:43.335000Z",
"spacegroup": 2
},
{
"id": "mp-1044153",
"created_at": "2022-09-04T14:46:56.848096Z",
"structure_string": "Zn1 Mo4 O8\n1.0\n5.273731 -3.226773 0.000000\n5.273731 3.226773 0.000000\n3.299406 0.000000 5.228597\nZn Mo O\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.275703 0.752293 0.752293 O\n0.247707 0.247707 0.724297 O\n0.724297 0.247707 0.247707 O\n0.247707 0.724297 0.247707 O\n0.271174 0.271174 0.271174 O\n0.728826 0.728826 0.728826 O\n0.752293 0.275703 0.752293 O\n0.752293 0.752293 0.275703 O\n",
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],
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"density": 5.385759168557401,
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"volume": 177.951459014022,
"volume_molar": 8.243451804844701,
"formula_full": "Zn1 Mo4 O8",
"formula_reduced": "Zn(MoO2)4",
"formula_anonymous": "AB4C8",
"energy": -106.09644069,
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"updated_at": "2021-11-28T01:37:48.709000Z",
"spacegroup": 166
},
{
"id": "mp-882371",
"created_at": "2022-09-04T14:40:58.827794Z",
"structure_string": "Li16 V6 P16 O58\n1.0\n4.933679 8.560703 0.000000\n-4.933679 8.560703 0.000000\n0.000000 0.065597 13.806646\nLi V P O\n16 6 16 58\ndirect\n0.671049 0.234105 0.064291 Li\n0.671618 0.094932 0.562896 Li\n0.234105 0.671049 0.564291 Li\n0.337893 0.331988 0.381835 Li\n0.331988 0.337893 0.881835 Li\n0.094932 0.671618 0.062896 Li\n0.234678 0.095085 0.064370 Li\n0.898832 0.765736 0.440043 Li\n0.095085 0.234678 0.564370 Li\n0.765736 0.898832 0.940043 Li\n0.898538 0.336187 0.937292 Li\n0.763864 0.337125 0.438143 Li\n0.336187 0.898538 0.437292 Li\n0.337125 0.763864 0.938143 Li\n0.999367 0.997871 0.000777 Li\n0.997871 0.999367 0.500777 Li\n0.996403 0.564638 0.249820 V\n0.998913 0.436318 0.748433 V\n0.564638 0.996403 0.749820 V\n0.436318 0.998913 0.248433 V\n0.564117 0.436537 0.248438 V\n0.436537 0.564117 0.748438 V\n0.685397 0.222593 0.843509 P\n0.685532 0.090579 0.344051 P\n0.222593 0.685397 0.343509 P\n0.330776 0.334304 0.125752 P\n0.334304 0.330776 0.625752 P\n0.090579 0.685532 0.844051 P\n0.912776 0.774274 0.656869 P\n0.224644 0.089153 0.843487 P\n0.774274 0.912776 0.156869 P\n0.089153 0.224644 0.343487 P\n0.914867 0.312780 0.156114 P\n0.667440 0.664106 0.374337 P\n0.664106 0.667440 0.874337 P\n0.773767 0.312416 0.655631 P\n0.312780 0.914867 0.656114 P\n0.312416 0.773767 0.155631 P\n0.775272 0.219662 0.566887 O\n0.673011 0.251728 0.344453 O\n0.780516 0.001160 0.067472 O\n0.669586 0.074641 0.843780 O\n0.521330 0.367667 0.834673 O\n0.483066 0.325980 0.163531 O\n0.367667 0.521330 0.334673 O\n0.219662 0.775272 0.066887 O\n0.251728 0.673011 0.844453 O\n0.486832 0.183415 0.668501 O\n0.521573 0.110024 0.333545 O\n0.325980 0.483066 0.663531 O\n0.325422 0.341838 0.016498 O\n0.341838 0.325422 0.516498 O\n0.183415 0.486832 0.168501 O\n0.372658 0.105414 0.830506 O\n0.320449 0.191217 0.163356 O\n0.074641 0.669586 0.343780 O\n0.001117 0.790536 0.750621 O\n0.001160 0.780516 0.567472 O\n0.995660 0.775828 0.932611 O\n0.110024 0.521573 0.833545 O\n0.191217 0.320449 0.663356 O\n0.921148 0.748440 0.158777 O\n0.105414 0.372658 0.330506 O\n0.252041 0.079022 0.345522 O\n0.790536 0.001117 0.250621 O\n0.775828 0.995660 0.432611 O\n0.223942 0.005986 0.566455 O\n0.748440 0.921148 0.658777 O\n0.906450 0.624521 0.665979 O\n0.079022 0.252041 0.845522 O\n0.819284 0.664018 0.328484 O\n0.910870 0.469404 0.168596 O\n0.005986 0.223942 0.066455 O\n0.995671 0.231547 0.432890 O\n0.002256 0.207496 0.250380 O\n0.921071 0.326504 0.656228 O\n0.664018 0.819284 0.828484 O\n0.624521 0.906450 0.165979 O\n0.810534 0.519167 0.834697 O\n0.665212 0.680353 0.982036 O\n0.680353 0.665212 0.482036 O\n0.674895 0.513395 0.335014 O\n0.469404 0.910870 0.668596 O\n0.519167 0.810534 0.334697 O\n0.752157 0.330707 0.155134 O\n0.789611 0.206930 0.750402 O\n0.776527 0.223183 0.932295 O\n0.623890 0.469313 0.666536 O\n0.513395 0.674895 0.835014 O\n0.469313 0.623890 0.166536 O\n0.326504 0.921071 0.156228 O\n0.231547 0.995671 0.932890 O\n0.207496 0.002256 0.750380 O\n0.330707 0.752157 0.655134 O\n0.223183 0.776527 0.432295 O\n0.206930 0.789611 0.250402 O\n",
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],
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"formula_full": "Li16 V6 P16 O58",
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"energy": -718.4095361100001,
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"updated_at": "2021-11-28T01:35:23.842000Z",
"spacegroup": 9
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{
"id": "mp-774648",
"created_at": "2022-09-04T14:43:11.681640Z",
"structure_string": "Li6 V8 Fe2 O24\n1.0\n-0.762836 -5.561965 5.322297\n5.455122 1.352142 5.324433\n-2.303348 8.318550 5.502823\nLi V Fe O\n6 8 2 24\ndirect\n0.272493 0.102545 0.374717 Li\n0.769479 0.105530 0.875347 Li\n0.882942 0.245752 0.124236 Li\n0.380545 0.240925 0.625954 Li\n0.605572 0.769356 0.374514 Li\n0.105267 0.769283 0.874968 Li\n0.477714 0.198790 0.089320 V\n0.957997 0.604103 0.159731 V\n0.543096 0.390985 0.341160 V\n0.514388 0.814212 0.904633 V\n0.985630 0.201477 0.590476 V\n0.462363 0.612025 0.660287 V\n0.030984 0.390176 0.845670 V\n0.018204 0.798008 0.408544 V\n0.712737 0.913845 0.630442 Fe\n0.205651 0.917344 0.119582 Fe\n0.925092 0.021018 0.704215 O\n0.421321 0.013761 0.205424 O\n0.024377 0.778126 0.045697 O\n0.531654 0.784764 0.544421 O\n0.176561 0.103036 0.546127 O\n0.674951 0.100457 0.052374 O\n0.100515 0.368997 0.203879 O\n0.597641 0.377943 0.697520 O\n0.486272 0.216177 0.463652 O\n0.986666 0.197505 0.973871 O\n0.579153 0.987126 0.776862 O\n0.070829 0.976799 0.285696 O\n0.780408 0.363471 0.423310 O\n0.289614 0.347047 0.924267 O\n0.963908 0.642545 0.326840 O\n0.478223 0.635346 0.825162 O\n0.533682 0.352101 0.178759 O\n0.049473 0.343139 0.677405 O\n0.729045 0.627295 0.073016 O\n0.219528 0.645467 0.571020 O\n0.403194 0.628934 0.297700 O\n0.914504 0.640511 0.795242 O\n0.314907 0.879471 0.956164 O\n0.823422 0.894610 0.451795 O\n",
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},
{
"id": "mp-504570",
"created_at": "2022-09-04T14:39:10.744926Z",
"structure_string": "K6 Fe2 O6\n1.0\n5.701251 3.603171 0.000000\n-5.701251 3.603171 0.000000\n0.000000 1.275822 6.486821\nK Fe O\n6 2 6\ndirect\n0.627650 0.627650 0.646150 K\n0.195856 0.804144 0.500000 K\n0.804144 0.195856 0.500000 K\n0.259565 0.740435 0.000000 K\n0.372350 0.372350 0.353850 K\n0.740435 0.259565 0.000000 K\n0.828323 0.828323 0.144479 Fe\n0.171677 0.171677 0.855521 Fe\n0.838773 0.568143 0.263581 O\n0.900694 0.900694 0.838670 O\n0.099306 0.099306 0.161330 O\n0.161227 0.431857 0.736419 O\n0.431857 0.161227 0.736419 O\n0.568143 0.838773 0.263581 O\n",
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"elements": [
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