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"results": [
{
"id": "mp-1174177",
"created_at": "2022-09-04T14:40:42.155597Z",
"structure_string": "Li5 Co3 O8\n1.0\n4.874328 -0.072407 1.068714\n1.210823 4.975661 2.722250\n0.245131 0.095924 5.911917\nLi Co O\n5 3 8\ndirect\n0.500000 0.250000 0.250000 Li\n0.010332 0.496505 0.999861 Li\n0.989668 0.003495 0.500139 Li\n0.500000 0.750000 0.750000 Li\n0.500000 0.250000 0.750000 Li\n0.998821 0.004037 0.990957 Co\n0.001179 0.495963 0.509043 Co\n0.500000 0.750000 0.250000 Co\n0.774941 0.352481 0.880863 O\n0.234677 0.619181 0.600020 O\n0.238519 0.097578 0.120056 O\n0.752892 0.853858 0.385184 O\n0.225059 0.147519 0.619137 O\n0.761481 0.402422 0.379944 O\n0.765323 0.880819 0.899980 O\n0.247108 0.646142 0.114816 O\n",
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"spacegroup": 2
},
{
"id": "mp-1395802",
"created_at": "2022-09-04T14:39:24.233055Z",
"structure_string": "Li5 Co3 O8\n1.0\n-4.990638 0.000000 0.000000\n1.693367 5.546751 0.000000\n-0.189340 -2.964890 -5.108028\nLi Co O\n5 3 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.010332 0.253495 0.250139 Li\n0.989668 0.746505 0.749861 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.998821 0.745963 0.259043 Co\n0.001179 0.254037 0.740957 Co\n0.500000 0.000000 0.000000 Co\n0.774941 0.397519 0.369137 O\n0.234677 0.130819 0.649980 O\n0.238519 0.652422 0.129944 O\n0.752892 0.896142 0.864816 O\n0.225059 0.602481 0.630863 O\n0.761481 0.347578 0.870056 O\n0.765323 0.869181 0.350020 O\n0.247108 0.103858 0.135184 O\n",
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"formula_full": "Li5 Co3 O8",
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"updated_at": "2021-11-28T01:34:35.159000Z",
"spacegroup": 2
},
{
"id": "mp-1174564",
"created_at": "2022-09-04T14:45:41.037187Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.002108 2.567835 0.000000\n-10.002108 2.567835 0.000000\n0.000000 1.898050 4.817254\nLi Mn Co O\n8 2 4 14\ndirect\n0.784729 0.215271 0.500000 Li\n0.215271 0.784729 0.500000 Li\n0.640878 0.359122 0.500000 Li\n0.067292 0.932708 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.932708 0.067292 0.500000 Li\n0.359122 0.640878 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.859382 0.140618 0.000000 Mn\n0.140618 0.859382 0.000000 Mn\n0.285215 0.714785 0.000000 Co\n0.714785 0.285215 0.000000 Co\n0.569434 0.430566 0.000000 Co\n0.430566 0.569434 0.000000 Co\n0.557770 0.988580 0.229200 O\n0.988580 0.557770 0.229200 O\n0.397092 0.111141 0.208516 O\n0.842444 0.687541 0.238697 O\n0.282671 0.282671 0.227431 O\n0.687541 0.842444 0.238697 O\n0.111141 0.397092 0.208516 O\n0.011420 0.442230 0.770800 O\n0.442230 0.011420 0.770800 O\n0.888859 0.602908 0.791484 O\n0.312459 0.157556 0.761303 O\n0.717329 0.717329 0.772569 O\n0.157556 0.312459 0.761303 O\n0.602908 0.888859 0.791484 O\n",
"nsites": 28,
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"elements": [
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],
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"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
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},
{
"id": "mp-1175551",
"created_at": "2022-09-04T14:39:44.705177Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.908113 0.000000 0.000000\n2.600360 5.905577 0.000000\n0.114296 0.135457 8.105640\nLi Mn Co O\n9 2 5 16\ndirect\n0.750820 0.503064 0.005154 Li\n0.133506 0.245983 0.251388 Li\n0.373478 0.751660 0.748652 Li\n0.016712 0.994419 0.495513 Li\n0.618374 0.252449 0.248747 Li\n0.246831 0.504504 0.008544 Li\n0.875169 0.748256 0.751005 Li\n0.488586 0.995079 0.490853 Li\n0.374177 0.751709 0.251425 Li\n0.006319 0.995523 0.000170 Mn\n0.250383 0.503302 0.496747 Mn\n0.740764 0.507634 0.497684 Co\n0.124592 0.249337 0.749928 Co\n0.502839 0.996967 0.003938 Co\n0.877971 0.749943 0.249621 Co\n0.623455 0.250206 0.749744 Co\n0.112387 0.242880 0.988342 O\n0.504074 0.994437 0.231914 O\n0.739888 0.485652 0.734241 O\n0.368736 0.736186 0.502721 O\n0.987167 0.989311 0.236437 O\n0.653335 0.221790 0.989238 O\n0.240262 0.486182 0.741428 O\n0.899970 0.724599 0.493606 O\n0.347403 0.783742 0.997560 O\n0.763484 0.514408 0.267047 O\n0.003197 0.013667 0.758804 O\n0.595722 0.279245 0.508515 O\n0.252742 0.498852 0.265491 O\n0.886959 0.756529 0.006752 O\n0.509439 0.014260 0.764698 O\n0.131260 0.258227 0.514094 O\n",
"nsites": 32,
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"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.24511865703247,
"density_atomic": 0.11314921296049682,
"volume": 282.81239579785665,
"volume_molar": 5.322300175523516,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.80167573,
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"spacegroup": 1
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{
"id": "mp-634930",
"created_at": "2022-09-04T14:44:24.503731Z",
"structure_string": "Yb1 H3\n1.0\n0.000000 2.604971 2.604971\n2.604971 0.000000 2.604971\n2.604971 2.604971 0.000000\nYb H\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n0.500000 0.500000 0.500000 H\n",
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"volume": 35.35400949479478,
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"formula_full": "Yb1 H3",
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"updated_at": "2021-11-28T01:36:36.748000Z",
"spacegroup": 225
},
{
"id": "mp-1174782",
"created_at": "2022-09-04T14:40:57.901925Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n9.907967 2.603310 0.000000\n-9.907967 2.603310 0.000000\n0.000000 1.970550 4.797324\nLi Mn Co O\n8 2 4 14\ndirect\n0.928634 0.071366 0.500000 Li\n0.357816 0.642184 0.500000 Li\n0.786585 0.213415 0.500000 Li\n0.212390 0.787610 0.500000 Li\n0.641514 0.358486 0.500000 Li\n0.072536 0.927464 0.500000 Li\n0.501196 0.498804 0.500000 Li\n0.572106 0.427894 0.000000 Li\n0.000179 0.999821 0.000000 Mn\n0.285198 0.714802 0.000000 Mn\n0.429245 0.570755 0.000000 Co\n0.857270 0.142730 0.000000 Co\n0.712457 0.287543 0.000000 Co\n0.143026 0.856974 0.000000 Co\n0.700459 0.842240 0.232750 O\n0.127498 0.412774 0.228211 O\n0.565965 0.993526 0.227883 O\n0.988170 0.565596 0.233467 O\n0.392781 0.098326 0.209248 O\n0.855517 0.710753 0.233311 O\n0.240205 0.247533 0.211382 O\n0.157760 0.299541 0.767250 O\n0.587226 0.872502 0.771789 O\n0.006474 0.434035 0.772117 O\n0.434404 0.011830 0.766533 O\n0.901674 0.607219 0.790752 O\n0.289247 0.144483 0.766689 O\n0.752467 0.759795 0.788618 O\n",
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"volume": 247.4796450161692,
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"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
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{
"id": "mp-1232890",
"created_at": "2022-09-04T14:42:28.969772Z",
"structure_string": "Cr4 N4\n1.0\n-2.123567 2.123548 0.000003\n-0.000005 0.000001 4.109614\n4.051172 4.051178 -0.000003\nCr N\n4 4\ndirect\n0.500000 0.500000 0.228615 Cr\n0.000000 0.000000 0.521368 Cr\n0.499998 0.499999 0.728678 Cr\n0.000002 0.999999 0.021320 Cr\n0.000000 0.500000 0.482432 N\n0.500000 0.000000 0.767425 N\n0.000000 0.500000 0.982590 N\n0.500001 0.000001 0.267573 N\n",
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{
"id": "mp-1174329",
"created_at": "2022-09-04T14:48:17.279380Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n4.681270 0.137610 1.718051\n-0.764918 4.912986 -3.138234\n-0.385398 0.187902 5.864087\nLi Mn Co O\n5 2 1 8\ndirect\n0.999999 0.499242 0.499242 Li\n0.002038 0.496408 0.996900 Li\n0.997959 0.996903 0.496408 Li\n0.504391 0.252556 0.750160 Li\n0.495610 0.750165 0.252556 Li\n0.000009 0.997524 0.997547 Mn\n0.499995 0.745281 0.745273 Mn\n0.499997 0.264192 0.264189 Co\n0.747884 0.653972 0.876986 O\n0.252112 0.876991 0.653975 O\n0.752754 0.119794 0.338563 O\n0.247248 0.338558 0.119797 O\n0.278661 0.399844 0.631357 O\n0.721341 0.631359 0.399840 O\n0.245785 0.874875 0.102334 O\n0.754218 0.102338 0.874875 O\n",
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"formula_full": "Li5 Mn2 Co1 O8",
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{
"id": "mp-770598",
"created_at": "2022-09-04T14:39:22.361300Z",
"structure_string": "Li4 Co2 H16 C4 O20\n1.0\n3.473817 4.274101 0.000000\n-3.473817 4.274101 0.000000\n0.000000 2.368556 13.692192\nLi Co H C O\n4 2 16 4 20\ndirect\n0.413149 0.749171 0.557681 Li\n0.250829 0.586851 0.942319 Li\n0.749171 0.413149 0.057681 Li\n0.586851 0.250829 0.442319 Li\n0.044873 0.955127 0.750000 Co\n0.955127 0.044873 0.250000 Co\n0.767882 0.842323 0.940436 H\n0.877793 0.808339 0.547492 H\n0.842323 0.767882 0.440436 H\n0.808339 0.877793 0.047492 H\n0.778409 0.471222 0.873911 H\n0.471222 0.778409 0.373911 H\n0.742686 0.367713 0.620150 H\n0.632287 0.257314 0.879850 H\n0.367713 0.742686 0.120150 H\n0.257314 0.632287 0.379850 H\n0.528778 0.221591 0.626089 H\n0.221591 0.528778 0.126089 H\n0.191661 0.122207 0.952508 H\n0.157677 0.232118 0.559564 H\n0.122207 0.191661 0.452508 H\n0.232118 0.157677 0.059564 H\n0.482845 0.958122 0.788398 C\n0.958122 0.482845 0.288398 C\n0.041878 0.517155 0.711602 C\n0.517155 0.041878 0.211602 C\n0.854574 0.759164 0.997323 O\n0.685069 0.991360 0.818484 O\n0.759164 0.854574 0.497323 O\n0.991360 0.685069 0.318484 O\n0.459708 0.947239 0.698075 O\n0.286986 0.939500 0.852154 O\n0.947239 0.459708 0.198075 O\n0.631311 0.410415 0.910433 O\n0.939500 0.286986 0.352154 O\n0.410415 0.631311 0.410433 O\n0.589585 0.368689 0.589567 O\n0.060500 0.713014 0.647846 O\n0.368689 0.589585 0.089567 O\n0.052761 0.540292 0.801925 O\n0.713014 0.060500 0.147846 O\n0.540292 0.052761 0.301925 O\n0.008640 0.314931 0.681516 O\n0.240836 0.145426 0.502677 O\n0.314931 0.008640 0.181516 O\n0.145426 0.240836 0.002677 O\n",
"nsites": 46,
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"elements": [
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"density": 2.1636983314029576,
"density_atomic": 0.11313660408157397,
"volume": 406.5881274537195,
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"formula_full": "Li4 Co2 H16 C4 O20",
"formula_reduced": "Li2CoH8(CO5)2",
"formula_anonymous": "AB2C2D8E10",
"energy": -285.29155012,
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"spacegroup": 15
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{
"id": "mp-1301792",
"created_at": "2022-09-04T14:47:21.238827Z",
"structure_string": "Li8 Cr4 O12\n1.0\n0.001788 1.532579 -2.487546\n9.331731 2.929458 0.060672\n2.381560 -5.334988 -4.946917\nLi Cr O\n8 4 12\ndirect\n0.333018 0.000133 0.333338 Li\n0.334856 0.499790 0.833425 Li\n0.324944 0.250087 0.083487 Li\n0.334680 0.749924 0.583272 Li\n0.992822 0.758068 0.255800 Li\n0.990717 0.257810 0.756367 Li\n0.666338 0.242208 0.410665 Li\n0.673988 0.742261 0.909983 Li\n0.006000 0.502830 0.514294 Cr\n0.686950 0.497200 0.152422 Cr\n0.000922 0.003066 0.013714 Cr\n0.664984 0.996894 0.652840 Cr\n0.487922 0.886222 0.107222 O\n0.493864 0.385987 0.607816 O\n0.146126 0.614039 0.058964 O\n0.176961 0.113720 0.559451 O\n0.176920 0.393064 0.287017 O\n0.148710 0.892304 0.786927 O\n0.521589 0.606983 0.379724 O\n0.517531 0.107631 0.879664 O\n0.827794 0.882915 0.473227 O\n0.813829 0.382483 0.973677 O\n0.838118 0.117070 0.193381 O\n0.840418 0.617310 0.693322 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Cr-Li-O",
"density": 3.5654702137842,
"density_atomic": 0.1131320398208368,
"volume": 212.14149446971828,
"volume_molar": 5.323108086389189,
"formula_full": "Li8 Cr4 O12",
"formula_reduced": "Li2CrO3",
"formula_anonymous": "AB2C3",
"energy": -166.35456686,
"energy_per_atom": -6.931440285833333,
"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:38:05.313000Z",
"spacegroup": 5
},
{
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"created_at": "2022-09-04T14:42:10.337735Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n11.560639 0.000000 0.000000\n0.000000 5.079294 0.000000\n0.000000 1.807259 4.817087\nLi Mn Co O\n9 2 5 16\ndirect\n0.876690 0.000000 0.500000 Li\n0.753540 0.500000 0.500000 Li\n0.626457 0.000000 0.500000 Li\n0.502138 0.500000 0.500000 Li\n0.372670 0.000000 0.500000 Li\n0.240931 0.500000 0.500000 Li\n0.126575 0.000000 0.500000 Li\n0.003192 0.500000 0.500000 Li\n0.124522 0.500000 0.000000 Li\n0.003010 0.000000 0.000000 Mn\n0.368757 0.500000 0.000000 Mn\n0.878282 0.500000 0.000000 Co\n0.754518 0.000000 0.000000 Co\n0.626094 0.500000 0.000000 Co\n0.500782 0.000000 0.000000 Co\n0.247600 0.000000 0.000000 Co\n0.879146 0.773316 0.237369 O\n0.752342 0.267187 0.223650 O\n0.623991 0.762542 0.233977 O\n0.496348 0.264359 0.228769 O\n0.370982 0.748394 0.217788 O\n0.257705 0.246555 0.221506 O\n0.124100 0.781570 0.230546 O\n0.992507 0.250378 0.214029 O\n0.879146 0.226684 0.762631 O\n0.752342 0.732813 0.776350 O\n0.623991 0.237458 0.766023 O\n0.496348 0.735641 0.771231 O\n0.370982 0.251606 0.782212 O\n0.257705 0.753445 0.778494 O\n0.124100 0.218430 0.769454 O\n0.992507 0.749622 0.785971 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.24442235692811,
"density_atomic": 0.11313065380699425,
"volume": 282.85879134574236,
"volume_molar": 5.323173302148532,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.64406342,
"energy_per_atom": -6.551376981875,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -187.12606342,
"band_gap": 1.4158,
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"is_magnetic": true,
"total_magnetization": 6.0001951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.014000Z",
"spacegroup": 3
},
{
"id": "mp-1175859",
"created_at": "2022-09-04T14:44:02.510538Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.783697 0.000000 0.000000\n-2.873297 5.086178 0.000000\n-0.007453 -1.636488 9.615565\nLi Mn Co O\n9 2 5 16\ndirect\n0.118538 0.247848 0.749766 Li\n0.378026 0.248533 0.245145 Li\n0.630024 0.254596 0.758433 Li\n0.621212 0.751913 0.756599 Li\n0.876067 0.748088 0.248313 Li\n0.117556 0.738305 0.753244 Li\n0.887273 0.263691 0.243893 Li\n0.377402 0.750712 0.244362 Li\n0.000114 0.500358 0.999701 Li\n0.999977 0.999934 0.999791 Mn\n0.249436 0.999344 0.499927 Mn\n0.499681 0.000210 0.000442 Co\n0.749429 0.000231 0.499829 Co\n0.499851 0.500137 0.000148 Co\n0.748646 0.499538 0.500696 Co\n0.251699 0.499868 0.499451 Co\n0.798369 0.108404 0.890672 O\n0.075076 0.124712 0.385270 O\n0.295826 0.092823 0.884512 O\n0.342553 0.650700 0.897559 O\n0.572495 0.646666 0.382408 O\n0.802295 0.640823 0.892958 O\n0.547069 0.120359 0.385693 O\n0.082303 0.644529 0.383045 O\n0.414421 0.351638 0.615543 O\n0.658191 0.350120 0.103247 O\n0.929250 0.355836 0.618845 O\n0.951297 0.879377 0.615064 O\n0.199786 0.890810 0.108105 O\n0.424542 0.873265 0.614178 O\n0.195692 0.358418 0.106255 O\n0.705904 0.908215 0.116907 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.244400714368082,
"density_atomic": 0.11313007694711552,
"volume": 282.86023366676324,
"volume_molar": 5.323200445461684,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.91949281,
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"updated_at": "2021-11-28T01:36:23.340000Z",
"spacegroup": 1
}
]
}