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"results": [
{
"id": "mp-24355",
"created_at": "2022-09-04T14:41:15.908845Z",
"structure_string": "K16 Be16 H96 N48\n1.0\n11.297114 0.000000 0.000000\n0.000000 13.093196 0.000000\n0.000000 0.000000 13.287033\nK Be H N\n16 16 96 48\ndirect\n0.162533 0.461321 0.700896 K\n0.662533 0.538679 0.799104 K\n0.337467 0.961321 0.299104 K\n0.837467 0.038679 0.200896 K\n0.837467 0.538679 0.299104 K\n0.337467 0.461321 0.200896 K\n0.662533 0.038679 0.700896 K\n0.162533 0.961321 0.799104 K\n0.944149 0.341782 0.479943 K\n0.444149 0.658218 0.020057 K\n0.555851 0.841782 0.520057 K\n0.055851 0.158218 0.979943 K\n0.055851 0.658218 0.520057 K\n0.555851 0.341782 0.979943 K\n0.444149 0.158218 0.479943 K\n0.944149 0.841782 0.020057 K\n0.205067 0.449766 0.443438 Be\n0.794933 0.050234 0.943438 Be\n0.294933 0.949766 0.556562 Be\n0.294933 0.449766 0.943438 Be\n0.794933 0.550234 0.556562 Be\n0.205067 0.949766 0.056562 Be\n0.705067 0.050234 0.443438 Be\n0.969815 0.758860 0.253610 Be\n0.469815 0.241140 0.246390 Be\n0.530185 0.258860 0.746390 Be\n0.030185 0.741140 0.753610 Be\n0.030185 0.241140 0.746390 Be\n0.530185 0.758860 0.753610 Be\n0.469815 0.741140 0.253610 Be\n0.969815 0.258860 0.246390 Be\n0.705067 0.550234 0.056562 Be\n0.155265 0.277291 0.178592 H\n0.655265 0.722709 0.321408 H\n0.344735 0.777291 0.821408 H\n0.844735 0.222709 0.678592 H\n0.844735 0.722709 0.821408 H\n0.344735 0.277291 0.678592 H\n0.655265 0.222709 0.178592 H\n0.155265 0.777291 0.321408 H\n0.059008 0.352650 0.121733 H\n0.559008 0.647350 0.378267 H\n0.440992 0.852650 0.878267 H\n0.940992 0.147350 0.621733 H\n0.940992 0.647350 0.878267 H\n0.440992 0.352650 0.621733 H\n0.559008 0.147350 0.121733 H\n0.059008 0.852650 0.378267 H\n0.808204 0.351869 0.190251 H\n0.308204 0.648131 0.309749 H\n0.691796 0.851869 0.809749 H\n0.191796 0.148131 0.690251 H\n0.191796 0.648131 0.809749 H\n0.691796 0.351869 0.690251 H\n0.308204 0.148131 0.190251 H\n0.808204 0.851869 0.309749 H\n0.777018 0.290336 0.294832 H\n0.277018 0.709664 0.205168 H\n0.722982 0.790336 0.705168 H\n0.222982 0.209664 0.794832 H\n0.222982 0.709664 0.705168 H\n0.722982 0.290336 0.794832 H\n0.277018 0.209664 0.294832 H\n0.777018 0.790336 0.205168 H\n0.933039 0.146865 0.380865 H\n0.433039 0.853135 0.119135 H\n0.566961 0.646865 0.619135 H\n0.066961 0.353135 0.880865 H\n0.066961 0.853135 0.619135 H\n0.566961 0.146865 0.880865 H\n0.433039 0.353135 0.380865 H\n0.933039 0.646865 0.119135 H\n0.071282 0.134790 0.342150 H\n0.571282 0.865210 0.157850 H\n0.428718 0.634790 0.657850 H\n0.853458 0.993096 0.545136 H\n0.928718 0.365210 0.842150 H\n0.428718 0.134790 0.842150 H\n0.571282 0.365210 0.342150 H\n0.071282 0.634790 0.157850 H\n0.612292 0.943200 0.324388 H\n0.112292 0.056800 0.175612 H\n0.887708 0.443200 0.675612 H\n0.387708 0.556800 0.824388 H\n0.387708 0.056800 0.675612 H\n0.887708 0.943200 0.824388 H\n0.112292 0.556800 0.324388 H\n0.612292 0.443200 0.175612 H\n0.582844 0.064426 0.304794 H\n0.082844 0.935574 0.195206 H\n0.917156 0.564426 0.695206 H\n0.417156 0.435574 0.804794 H\n0.417156 0.935574 0.695206 H\n0.917156 0.064426 0.804794 H\n0.082844 0.435574 0.304794 H\n0.582844 0.564426 0.195206 H\n0.668413 0.226292 0.438539 H\n0.168413 0.773708 0.061461 H\n0.831587 0.726292 0.561461 H\n0.331587 0.273708 0.938539 H\n0.331587 0.773708 0.561461 H\n0.831587 0.226292 0.938539 H\n0.168413 0.273708 0.438539 H\n0.668413 0.726292 0.061461 H\n0.756109 0.197208 0.533754 H\n0.256109 0.802792 0.966246 H\n0.743891 0.697208 0.466246 H\n0.243891 0.302792 0.033754 H\n0.243891 0.802792 0.466246 H\n0.743891 0.197208 0.033754 H\n0.256109 0.302792 0.533754 H\n0.756109 0.697208 0.966246 H\n0.802843 0.398765 0.020334 H\n0.302843 0.601235 0.479666 H\n0.697157 0.898765 0.979666 H\n0.197157 0.101235 0.520334 H\n0.197157 0.601235 0.979666 H\n0.697157 0.398765 0.520334 H\n0.302843 0.101235 0.020334 H\n0.802843 0.898765 0.479666 H\n0.853458 0.493096 0.954864 H\n0.353458 0.506904 0.545136 H\n0.646542 0.993096 0.045136 H\n0.146542 0.006904 0.454864 H\n0.146542 0.506904 0.045136 H\n0.646542 0.493096 0.454864 H\n0.353458 0.006904 0.954864 H\n0.928718 0.865210 0.657850 H\n0.278988 0.532417 0.509539 N\n0.493256 0.828777 0.171137 N\n0.506744 0.671223 0.671137 N\n0.006744 0.328777 0.828863 N\n0.006744 0.828777 0.671137 N\n0.506744 0.171223 0.828863 N\n0.493256 0.328777 0.328863 N\n0.993256 0.671223 0.171137 N\n0.612592 0.013528 0.357509 N\n0.112592 0.986472 0.142491 N\n0.887408 0.513528 0.642491 N\n0.387408 0.486472 0.857509 N\n0.387408 0.986472 0.642491 N\n0.887408 0.013528 0.857509 N\n0.112592 0.486472 0.357509 N\n0.612592 0.513528 0.142491 N\n0.704485 0.167395 0.478303 N\n0.204485 0.832605 0.021697 N\n0.795515 0.667395 0.521697 N\n0.295515 0.332605 0.978303 N\n0.295515 0.832605 0.521697 N\n0.795515 0.167395 0.978303 N\n0.204485 0.332605 0.478303 N\n0.704485 0.667395 0.021697 N\n0.844733 0.818656 0.247664 N\n0.278988 0.032417 0.990461 N\n0.721012 0.467583 0.490461 N\n0.221012 0.532417 0.009539 N\n0.221012 0.032417 0.490461 N\n0.721012 0.967583 0.009539 N\n0.993256 0.171223 0.328863 N\n0.778988 0.467583 0.990461 N\n0.344733 0.181344 0.252336 N\n0.655267 0.318656 0.752336 N\n0.155267 0.681344 0.747664 N\n0.155267 0.181344 0.752336 N\n0.655267 0.818656 0.747664 N\n0.344733 0.681344 0.247664 N\n0.844733 0.318656 0.252336 N\n0.067757 0.786363 0.338552 N\n0.567757 0.213637 0.161448 N\n0.432243 0.286363 0.661448 N\n0.932243 0.713637 0.838552 N\n0.932243 0.213637 0.661448 N\n0.432243 0.786363 0.838552 N\n0.567757 0.713637 0.338552 N\n0.067757 0.286363 0.161448 N\n0.778988 0.967583 0.509539 N\n",
"nsites": 176,
"nelements": 4,
"elements": [
"K",
"Be",
"H",
"N"
],
"chemical_system": "Be-H-K-N",
"density": 1.300183440051307,
"density_atomic": 0.08955121318178888,
"volume": 1965.3558421673213,
"volume_molar": 6.724800866488609,
"formula_full": "K16 Be16 H96 N48",
"formula_reduced": "KBe(H2N)3",
"formula_anonymous": "ABC3D6",
"energy": -909.17508345,
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"updated_at": "2021-11-28T01:35:15.009000Z",
"spacegroup": 61
},
{
"id": "mp-1184006",
"created_at": "2022-09-04T14:43:07.164021Z",
"structure_string": "Ga1 Co3\n1.0\n-1.799494 1.799494 3.448435\n1.799494 -1.799494 3.448435\n1.799494 1.799494 -3.448435\nGa Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n",
"nsites": 4,
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"elements": [
"Ga",
"Co"
],
"chemical_system": "Co-Ga",
"density": 9.164799514880405,
"density_atomic": 0.08955238358361786,
"volume": 44.66659445491001,
"volume_molar": 6.724712976932589,
"formula_full": "Ga1 Co3",
"formula_reduced": "GaCo3",
"formula_anonymous": "AB3",
"energy": -24.6708797,
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"updated_at": "2021-11-28T01:36:06.015000Z",
"spacegroup": 139
},
{
"id": "mp-1402504",
"created_at": "2022-09-04T14:42:58.507303Z",
"structure_string": "Li7 Co2 O6\n1.0\n5.254136 0.000000 0.000000\n-2.567519 4.928933 0.000000\n-0.275535 -2.609138 6.467768\nLi Co O\n7 2 6\ndirect\n0.338885 0.563158 0.083750 Li\n0.442987 0.096611 0.177416 Li\n0.798279 0.503073 0.277819 Li\n0.838950 0.094941 0.392293 Li\n0.588606 0.996120 0.778829 Li\n0.669430 0.587010 0.686793 Li\n0.038855 0.614193 0.881906 Li\n0.223941 0.496789 0.498438 Co\n0.965559 0.007371 0.002835 Co\n0.216952 0.863462 0.048262 O\n0.893184 0.259815 0.114114 O\n0.339261 0.331677 0.323718 O\n0.819791 0.378234 0.550011 O\n0.442087 0.734374 0.606351 O\n0.772867 0.771705 0.867735 O\n",
"nsites": 15,
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],
"chemical_system": "Co-Li-O",
"density": 2.6018764424526135,
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"volume": 167.49762679167006,
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"formula_full": "Li7 Co2 O6",
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"formula_anonymous": "A2B6C7",
"energy": -51.40141625,
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"spacegroup": 1
},
{
"id": "mp-764768",
"created_at": "2022-09-04T14:40:09.491016Z",
"structure_string": "Li7 Co2 O6\n1.0\n0.004353 2.634982 -4.545634\n1.911360 -5.277946 0.047710\n-6.973167 0.048907 -0.296808\nLi Co O\n7 2 6\ndirect\n0.775727 0.353091 0.916250 Li\n0.346376 0.725973 0.822584 Li\n0.295206 0.219108 0.722181 Li\n0.744009 0.512766 0.607707 Li\n0.592486 0.225051 0.221171 Li\n0.082421 0.726197 0.313207 Li\n0.424663 0.503901 0.118094 Li\n0.727152 0.004773 0.501562 Co\n0.958188 0.989795 0.997165 Co\n0.353490 0.088277 0.951738 O\n0.633370 0.626072 0.885886 O\n0.007584 0.344605 0.676282 O\n0.441556 0.071755 0.449989 O\n0.707713 0.659274 0.393649 O\n0.001162 0.360560 0.132265 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Co-Li-O",
"density": 2.6018767226800867,
"density_atomic": 0.08955351728169678,
"volume": 167.4976087518312,
"volume_molar": 6.724627845779569,
"formula_full": "Li7 Co2 O6",
"formula_reduced": "Li7(CoO3)2",
"formula_anonymous": "A2B6C7",
"energy": -84.29034711999999,
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"updated_at": "2021-11-28T01:34:46.164000Z",
"spacegroup": 1
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{
"id": "mp-781016",
"created_at": "2022-09-04T14:47:42.984717Z",
"structure_string": "Li28 Fe8 O26\n1.0\n27.390993 0.000000 0.000000\n0.000000 5.318665 0.000000\n0.000000 2.490588 4.752236\nLi Fe O\n28 8 26\ndirect\n0.323422 0.165413 0.849893 Li\n0.557705 0.209303 0.791813 Li\n0.176578 0.665413 0.849893 Li\n0.942295 0.709303 0.791813 Li\n0.387712 0.693798 0.778090 Li\n0.725270 0.768793 0.654251 Li\n0.501295 0.732409 0.733419 Li\n0.280493 0.732100 0.700360 Li\n0.613958 0.778961 0.695371 Li\n0.112288 0.193798 0.778090 Li\n0.113958 0.721039 0.304629 Li\n0.774730 0.268793 0.654251 Li\n0.998705 0.232409 0.733419 Li\n0.219507 0.232100 0.700360 Li\n0.780493 0.767900 0.299640 Li\n0.001295 0.767591 0.266581 Li\n0.225270 0.731207 0.345749 Li\n0.886042 0.278961 0.695371 Li\n0.887712 0.806202 0.221910 Li\n0.386042 0.221039 0.304629 Li\n0.719507 0.267900 0.299640 Li\n0.498705 0.267591 0.266581 Li\n0.274730 0.231207 0.345749 Li\n0.612288 0.306202 0.221910 Li\n0.057705 0.290697 0.208187 Li\n0.823422 0.334587 0.150107 Li\n0.442295 0.790697 0.208187 Li\n0.676578 0.834587 0.150107 Li\n0.668611 0.315763 0.693531 Fe\n0.055402 0.770637 0.728185 Fe\n0.831389 0.815763 0.693531 Fe\n0.555402 0.729363 0.271815 Fe\n0.444598 0.270637 0.728185 Fe\n0.168611 0.184237 0.306469 Fe\n0.944598 0.229363 0.271815 Fe\n0.331389 0.684237 0.306469 Fe\n0.441091 0.226690 0.090770 O\n0.672309 0.251706 0.063368 O\n0.058909 0.726690 0.090770 O\n0.279454 0.453826 0.550946 O\n0.056473 0.403550 0.775779 O\n0.825739 0.447816 0.734558 O\n0.827691 0.751706 0.063368 O\n0.391214 0.500653 0.494192 O\n0.220546 0.953826 0.550946 O\n0.443527 0.903550 0.775779 O\n0.674261 0.947816 0.734558 O\n0.891214 0.999347 0.505808 O\n0.000000 0.000000 0.500000 O\n0.108786 0.000653 0.494192 O\n0.325739 0.052184 0.265442 O\n0.556473 0.096450 0.224221 O\n0.779454 0.046174 0.449054 O\n0.608786 0.499347 0.505808 O\n0.500000 0.500000 0.500000 O\n0.172309 0.248294 0.936632 O\n0.174261 0.552184 0.265442 O\n0.943527 0.596450 0.224221 O\n0.720546 0.546174 0.449054 O\n0.941091 0.273310 0.909230 O\n0.327691 0.748294 0.936632 O\n0.558909 0.773310 0.909230 O\n",
"nsites": 62,
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"elements": [
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"Fe",
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],
"chemical_system": "Fe-Li-O",
"density": 2.5354417316284814,
"density_atomic": 0.08955364678803182,
"volume": 692.3224483169327,
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"formula_full": "Li28 Fe8 O26",
"formula_reduced": "Li14Fe4O13",
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"energy": -370.30734259,
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"updated_at": "2021-11-28T01:38:17.385000Z",
"spacegroup": 14
},
{
"id": "mp-1246213",
"created_at": "2022-09-04T14:42:08.228964Z",
"structure_string": "Ru16 C4 N16\n1.0\n10.075964 0.000000 0.000000\n0.000000 2.762481 0.000000\n0.000000 0.000000 14.442143\nRu C N\n16 4 16\ndirect\n0.140851 0.250000 0.153547 Ru\n0.640851 0.250000 0.346453 Ru\n0.859149 0.750000 0.846453 Ru\n0.359149 0.750000 0.653547 Ru\n0.906178 0.250000 0.058698 Ru\n0.406178 0.250000 0.441302 Ru\n0.093822 0.750000 0.941302 Ru\n0.593822 0.750000 0.558698 Ru\n0.443879 0.250000 0.883755 Ru\n0.943879 0.250000 0.616245 Ru\n0.556121 0.750000 0.116245 Ru\n0.056121 0.750000 0.383755 Ru\n0.205415 0.250000 0.802648 Ru\n0.705415 0.250000 0.697352 Ru\n0.794585 0.750000 0.197352 Ru\n0.294585 0.750000 0.302648 Ru\n0.347006 0.250000 0.002782 C\n0.847006 0.250000 0.497218 C\n0.652994 0.750000 0.997218 C\n0.152994 0.750000 0.502782 C\n0.652178 0.250000 0.212066 N\n0.152178 0.250000 0.287934 N\n0.347822 0.750000 0.787934 N\n0.847822 0.750000 0.712066 N\n0.011560 0.250000 0.844963 N\n0.511560 0.250000 0.655037 N\n0.988440 0.750000 0.155037 N\n0.488440 0.750000 0.344963 N\n0.214814 0.250000 0.016035 N\n0.714814 0.250000 0.483965 N\n0.785186 0.750000 0.983965 N\n0.285186 0.750000 0.516035 N\n0.425911 0.250000 0.078976 N\n0.925910 0.250000 0.421024 N\n0.574090 0.750000 0.921024 N\n0.074090 0.750000 0.578976 N\n",
"nsites": 36,
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"elements": [
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"C",
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],
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"formula_full": "Ru16 C4 N16",
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"spacegroup": 62
},
{
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