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{
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"results": [
{
"id": "mp-1174507",
"created_at": "2022-09-04T14:45:09.152679Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.076835 0.000000 0.000000\n-0.707393 5.076726 0.000000\n-1.971558 -2.005409 9.751153\nLi Mn Co O\n8 2 4 14\ndirect\n0.359832 0.431119 0.848021 Li\n0.500000 0.000000 0.000000 Li\n0.218112 0.858794 0.706401 Li\n0.066912 0.272595 0.564837 Li\n0.933088 0.727405 0.435163 Li\n0.781888 0.141206 0.293599 Li\n0.640168 0.568881 0.151979 Li\n0.500000 0.000000 0.500000 Li\n0.924190 0.713232 0.925958 Mn\n0.075810 0.286768 0.074042 Mn\n0.216928 0.858544 0.220219 Co\n0.366972 0.420581 0.361899 Co\n0.633028 0.579419 0.638101 Co\n0.783072 0.141456 0.779781 Co\n0.590385 0.780591 0.831827 O\n0.748150 0.374099 0.961857 O\n0.464189 0.217936 0.687308 O\n0.298340 0.622108 0.540043 O\n0.148457 0.064837 0.377888 O\n0.012958 0.475738 0.238292 O\n0.889370 0.938989 0.099456 O\n0.110630 0.061011 0.900544 O\n0.251850 0.625901 0.038143 O\n0.987042 0.524262 0.761708 O\n0.851543 0.935163 0.622112 O\n0.701660 0.377892 0.459957 O\n0.535811 0.782064 0.312692 O\n0.409615 0.219409 0.168173 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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"spacegroup": 2
},
{
"id": "mp-1177758",
"created_at": "2022-09-04T14:46:00.583729Z",
"structure_string": "Li10 V5 O10 F5\n1.0\n1.502296 12.988846 0.000000\n-1.502296 12.988846 0.000000\n0.000000 0.040031 7.309043\nLi V O F\n10 5 10 5\ndirect\n0.535129 0.535129 0.120198 Li\n0.931905 0.931905 0.158885 Li\n0.733161 0.733161 0.155905 Li\n0.662409 0.662409 0.864126 Li\n0.865656 0.865656 0.841478 Li\n0.332540 0.332540 0.158158 Li\n0.130402 0.130402 0.127409 Li\n0.074175 0.074175 0.870147 Li\n0.464704 0.464704 0.844411 Li\n0.266228 0.266228 0.840863 Li\n0.997196 0.997196 0.501614 V\n0.799989 0.799989 0.498824 V\n0.603865 0.603865 0.518749 V\n0.398614 0.398614 0.500760 V\n0.201183 0.201183 0.501686 V\n0.532929 0.532929 0.633502 O\n0.734397 0.734397 0.653240 O\n0.932051 0.932051 0.655717 O\n0.866584 0.866584 0.344893 O\n0.666158 0.666158 0.357425 O\n0.599515 0.599515 0.003180 O\n0.333025 0.333025 0.654589 O\n0.134175 0.134175 0.656713 O\n0.267085 0.267085 0.344361 O\n0.465714 0.465714 0.346127 O\n0.995658 0.995658 0.999102 F\n0.801078 0.801078 0.999707 F\n0.067549 0.067549 0.345760 F\n0.203786 0.203786 0.001881 F\n0.398948 0.398948 0.000589 F\n",
"nsites": 30,
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"elements": [
"Li",
"V",
"O",
"F"
],
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"density": 3.3712325232608995,
"density_atomic": 0.1051730972228274,
"volume": 285.2440480709607,
"volume_molar": 5.725932694785106,
"formula_full": "Li10 V5 O10 F5",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy": -202.3545066,
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"updated_at": "2021-11-28T01:37:14.954000Z",
"spacegroup": 8
},
{
"id": "mp-831182",
"created_at": "2022-09-04T14:45:56.265940Z",
"structure_string": "Na14 Cr4 O12\n1.0\n2.923351 7.527214 0.000000\n-2.923351 7.527214 0.000000\n0.000000 2.754124 10.256046\nNa Cr O\n14 4 12\ndirect\n0.299621 0.581762 0.149195 Na\n0.421596 0.242531 0.405352 Na\n0.581762 0.299621 0.649195 Na\n0.813336 0.734653 0.309025 Na\n0.242531 0.421596 0.905352 Na\n0.265347 0.186664 0.190975 Na\n0.734653 0.813336 0.809025 Na\n0.757469 0.578404 0.094648 Na\n0.186664 0.265347 0.690975 Na\n0.418238 0.700379 0.350805 Na\n0.578404 0.757469 0.594648 Na\n0.925846 0.074154 0.250000 Na\n0.700379 0.418238 0.850805 Na\n0.074154 0.925846 0.750000 Na\n0.773863 0.988467 0.039787 Cr\n0.988467 0.773863 0.539787 Cr\n0.011533 0.226137 0.460213 Cr\n0.226137 0.011533 0.960213 Cr\n0.133727 0.672023 0.375389 O\n0.600500 0.154443 0.186524 O\n0.672023 0.133727 0.875389 O\n0.993647 0.655367 0.080137 O\n0.154443 0.600500 0.686524 O\n0.344633 0.006353 0.419863 O\n0.655367 0.993647 0.580137 O\n0.845557 0.399500 0.313476 O\n0.006353 0.344633 0.919863 O\n0.327977 0.866273 0.124611 O\n0.399500 0.845557 0.813476 O\n0.866273 0.327977 0.624611 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Na",
"Cr",
"O"
],
"chemical_system": "Cr-Na-O",
"density": 2.6555912658224994,
"density_atomic": 0.06646546882980041,
"volume": 451.3621964635751,
"volume_molar": 9.060555602821411,
"formula_full": "Na14 Cr4 O12",
"formula_reduced": "Na7Cr2O6",
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"energy": -166.63926768000002,
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"spacegroup": 15
},
{
"id": "mp-1041710",
"created_at": "2022-09-04T14:40:30.584986Z",
"structure_string": "V6 Zn6 As8 O32\n1.0\n5.172314 0.000000 0.000000\n0.000000 9.068550 0.000000\n0.000000 4.861849 14.737165\nV Zn As O\n6 6 8 32\ndirect\n0.440748 0.241493 0.619212 V\n0.559252 0.758507 0.380788 V\n0.940748 0.758507 0.880788 V\n0.059252 0.241493 0.119212 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.545802 0.279361 0.224865 Zn\n0.045802 0.720639 0.275135 Zn\n0.454198 0.720639 0.775135 Zn\n0.954198 0.279361 0.724865 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.988593 0.052626 0.345935 As\n0.530534 0.386068 0.402340 As\n0.030534 0.613932 0.097660 As\n0.969466 0.386068 0.902340 As\n0.011407 0.947374 0.654065 As\n0.469466 0.613932 0.597660 As\n0.511407 0.052626 0.845935 As\n0.488593 0.947374 0.154065 As\n0.416866 0.790202 0.256710 O\n0.900096 0.773030 0.000795 O\n0.372686 0.364918 0.308392 O\n0.355014 0.100914 0.183126 O\n0.627314 0.635082 0.691608 O\n0.083134 0.790202 0.756710 O\n0.872686 0.635082 0.191608 O\n0.668978 0.614794 0.889280 O\n0.686392 0.106539 0.922947 O\n0.583134 0.209798 0.743290 O\n0.144986 0.100914 0.683126 O\n0.331022 0.385206 0.110720 O\n0.322703 0.549735 0.421919 O\n0.313608 0.893461 0.077053 O\n0.695862 0.000899 0.625060 O\n0.195862 0.999101 0.874940 O\n0.822703 0.450265 0.078081 O\n0.127314 0.364918 0.808392 O\n0.186392 0.893461 0.577053 O\n0.168978 0.385206 0.610720 O\n0.804138 0.000899 0.125060 O\n0.304138 0.999101 0.374940 O\n0.099904 0.226970 0.999205 O\n0.400096 0.226970 0.499205 O\n0.677297 0.450265 0.578081 O\n0.916866 0.209798 0.243290 O\n0.644986 0.899086 0.816874 O\n0.813608 0.106539 0.422947 O\n0.599904 0.773030 0.500795 O\n0.831022 0.614794 0.389280 O\n0.177297 0.549735 0.921919 O\n0.855014 0.899086 0.316874 O\n",
"nsites": 52,
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"elements": [
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"Zn",
"As",
"O"
],
"chemical_system": "As-O-V-Zn",
"density": 4.346709221649959,
"density_atomic": 0.07522577379307306,
"volume": 691.2524441827445,
"volume_molar": 8.005422153004865,
"formula_full": "V6 Zn6 As8 O32",
"formula_reduced": "V3Zn3(AsO4)4",
"formula_anonymous": "A3B3C4D16",
"energy": -351.57904110000004,
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"updated_at": "2021-11-28T01:35:03.647000Z",
"spacegroup": 14
},
{
"id": "mp-1178153",
"created_at": "2022-09-04T14:44:28.080538Z",
"structure_string": "K8 Li10 Cr4 O16\n1.0\n5.622441 0.000000 0.000000\n-0.062859 8.774198 0.000000\n-1.940911 -0.086299 10.706232\nK Li Cr O\n8 10 4 16\ndirect\n0.155516 0.010381 0.869707 K\n0.169797 0.768000 0.362263 K\n0.342331 0.507439 0.635263 K\n0.365437 0.219085 0.136337 K\n0.614386 0.780248 0.896800 K\n0.704486 0.464404 0.345978 K\n0.865546 0.269514 0.614722 K\n0.838390 0.022589 0.165417 K\n0.097386 0.757976 0.707403 Li\n0.092877 0.470528 0.201215 Li\n0.303613 0.487406 0.926365 Li\n0.185502 0.991473 0.571912 Li\n0.408199 0.261001 0.795376 Li\n0.601851 0.027236 0.695694 Li\n0.586345 0.738488 0.196521 Li\n0.684118 0.510166 0.069372 Li\n0.766735 0.012134 0.425690 Li\n0.902084 0.531614 0.806058 Li\n0.160177 0.709964 0.057879 Cr\n0.685718 0.776592 0.562591 Cr\n0.828724 0.289059 0.935824 Cr\n0.297768 0.215149 0.438889 Cr\n0.098997 0.320754 0.847152 O\n0.138715 0.693042 0.876194 O\n0.084417 0.059181 0.401129 O\n0.197026 0.403781 0.393631 O\n0.364645 0.192232 0.613433 O\n0.354925 0.887056 0.094753 O\n0.410759 0.820147 0.626163 O\n0.368106 0.545110 0.124680 O\n0.617934 0.459673 0.880096 O\n0.571566 0.181645 0.382859 O\n0.671493 0.107004 0.861794 O\n0.662106 0.789362 0.397212 O\n0.838132 0.606939 0.626432 O\n0.884920 0.935285 0.630036 O\n0.858374 0.321168 0.109619 O\n0.897473 0.674830 0.148385 O\n",
"nsites": 38,
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"elements": [
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"Li",
"Cr",
"O"
],
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"density_atomic": 0.07194731797990926,
"volume": 528.1642327600205,
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"formula_full": "K8 Li10 Cr4 O16",
"formula_reduced": "K4Li5Cr2O8",
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{
"id": "mp-548231",
"created_at": "2022-09-04T14:48:27.759280Z",
"structure_string": "Fe2 Bi2 O6\n1.0\n4.867486 -2.781048 0.000000\n4.867486 2.781048 0.000000\n3.278528 0.000000 4.547296\nFe Bi O\n2 2 6\ndirect\n0.297604 0.297604 0.297604 Fe\n0.791829 0.791829 0.791829 Fe\n0.073737 0.073737 0.073737 Bi\n0.571041 0.571041 0.571041 Bi\n0.476498 0.012186 0.611655 O\n0.520473 0.966358 0.108066 O\n0.012186 0.611655 0.476498 O\n0.611655 0.476498 0.012186 O\n0.108066 0.520473 0.966358 O\n0.966358 0.108066 0.520473 O\n",
"nsites": 10,
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],
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"volume": 123.1108745288784,
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"formula_full": "Fe2 Bi2 O6",
"formula_reduced": "FeBiO3",
"formula_anonymous": "ABC3",
"energy": -70.53073916,
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"spacegroup": 146
},
{
"id": "mp-1174234",
"created_at": "2022-09-04T14:47:04.765359Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n1.460372 6.360482 0.000000\n-1.460372 6.360482 0.000000\n0.000000 1.765219 9.735768\nLi Mn Co O\n6 2 2 10\ndirect\n0.501962 0.501962 0.508886 Li\n0.705832 0.705832 0.884066 Li\n0.887414 0.887414 0.321457 Li\n0.106260 0.106260 0.683676 Li\n0.297284 0.297284 0.108513 Li\n0.201586 0.201586 0.401297 Li\n0.999357 0.999357 0.001250 Mn\n0.605189 0.605189 0.205305 Mn\n0.397854 0.397854 0.792689 Co\n0.789951 0.789951 0.588959 Co\n0.254469 0.254469 0.748073 O\n0.460261 0.460261 0.132147 O\n0.655261 0.655261 0.552700 O\n0.862619 0.862619 0.945141 O\n0.054747 0.054747 0.324992 O\n0.739070 0.739070 0.241047 O\n0.946828 0.946828 0.662117 O\n0.137820 0.137820 0.063126 O\n0.351846 0.351846 0.460168 O\n0.544392 0.544392 0.874391 O\n",
"nsites": 20,
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],
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"volume": 180.86466877869137,
"volume_molar": 5.445962469480282,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -131.59013128,
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"updated_at": "2021-11-28T01:37:53.993000Z",
"spacegroup": 8
},
{
"id": "mp-782660",
"created_at": "2022-09-04T14:41:53.158736Z",
"structure_string": "Li2 Mn2 P6 H16 O26\n1.0\n7.361662 0.000000 0.000000\n1.808166 7.616014 0.000000\n2.715067 0.436551 9.759756\nLi Mn P H O\n2 2 6 16 26\ndirect\n0.804207 0.816730 0.763972 Li\n0.195793 0.183270 0.236028 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.331570 0.805879 0.743030 P\n0.245215 0.805967 0.476533 P\n0.591239 0.456872 0.728838 P\n0.408761 0.543128 0.271162 P\n0.754785 0.194033 0.523467 P\n0.668430 0.194121 0.256970 P\n0.372146 0.966513 0.961437 H\n0.810172 0.824043 0.430338 H\n0.316518 0.865258 0.101881 H\n0.925474 0.735982 0.206907 H\n0.688321 0.701286 0.397141 H\n0.852431 0.652144 0.008158 H\n0.653169 0.621491 0.004533 H\n0.097049 0.641903 0.088005 H\n0.902951 0.358097 0.911995 H\n0.346831 0.378509 0.995467 H\n0.147569 0.347856 0.991842 H\n0.311679 0.298714 0.602859 H\n0.074526 0.264018 0.793093 H\n0.683482 0.134742 0.898119 H\n0.189828 0.175957 0.569662 H\n0.627854 0.033487 0.038563 H\n0.474624 0.878474 0.789060 O\n0.278538 0.980082 0.052676 O\n0.194992 0.960064 0.385076 O\n0.357833 0.857550 0.579578 O\n0.120816 0.855481 0.814850 O\n0.982382 0.739914 0.106292 O\n0.820854 0.717858 0.382822 O\n0.786526 0.612393 0.947585 O\n0.754884 0.550245 0.671025 O\n0.093874 0.707722 0.558615 O\n0.426865 0.658874 0.391103 O\n0.385891 0.592247 0.745872 O\n0.413757 0.653310 0.140439 O\n0.586243 0.346690 0.859561 O\n0.614109 0.407753 0.254128 O\n0.573135 0.341126 0.608897 O\n0.906126 0.292278 0.441385 O\n0.245116 0.449755 0.328975 O\n0.213474 0.387607 0.052415 O\n0.179146 0.282142 0.617178 O\n0.017618 0.260086 0.893708 O\n0.879184 0.144519 0.185150 O\n0.642167 0.142450 0.420422 O\n0.805008 0.039936 0.614924 O\n0.721462 0.019918 0.947324 O\n0.525376 0.121526 0.210940 O\n",
"nsites": 52,
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"elements": [
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"H",
"O"
],
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"density": 2.250825854794088,
"density_atomic": 0.09503001026698649,
"volume": 547.1955633163269,
"volume_molar": 6.337093664496948,
"formula_full": "Li2 Mn2 P6 H16 O26",
"formula_reduced": "LiMnP3H8O13",
"formula_anonymous": "ABC3D8E13",
"energy": -340.0878465,
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