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{
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"results": [
{
"id": "jvasp-108966",
"created_at": "2022-09-04T14:38:17.839749Z",
"updated_at": "2022-09-04T14:38:17.839780Z",
"structure_string": "Li2 Mn1 Ni1 O4\n1.0\n2.835922 0.000000 0.000000\n-0.000000 4.731283 1.795904\n-0.000000 0.090723 5.127187\nLi Mn Ni O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 0.499999 0.500000 Mn\n0.500000 0.500000 -0.000000 Ni\n0.000000 0.289576 0.256869 O\n0.500000 0.260000 0.726827 O\n0.000000 0.710423 0.743131 O\n0.500000 0.739999 0.273174 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"O"
],
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"density": 4.653903065017437,
"density_atomic": 0.11707506207014133,
"volume": 68.33222941369945,
"volume_molar": 5.14382879967388,
"formula_full": "Li2 Mn1 Ni1 O4",
"formula_reduced": "Li2MnNiO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 10
},
{
"id": "jvasp-46142",
"created_at": "2022-09-04T14:38:07.541107Z",
"updated_at": "2022-09-04T14:38:07.541120Z",
"structure_string": "Li2 Mn3 Ni1 O8\n1.0\n-4.112288 4.112288 -0.059816\n4.112288 -0.059816 4.112288\n4.052474 4.052474 0.000000\nLi Mn Ni O\n2 3 1 8\ndirect\n0.122800 0.254402 0.122800 Li\n0.877200 0.745598 0.877199 Li\n0.500000 -0.000001 0.000000 Mn\n0.500000 -0.000001 0.500000 Mn\n-0.000000 0.500000 0.499999 Mn\n0.500000 0.500000 0.499999 Ni\n0.743290 0.466726 0.289983 O\n0.737918 0.024163 0.737918 O\n0.289983 0.013422 0.743289 O\n0.743290 0.466726 0.743289 O\n0.256710 0.533273 0.256710 O\n0.710016 0.986578 0.256710 O\n0.262081 0.975837 0.262081 O\n0.256710 0.533273 0.710016 O\n",
"nsites": 14,
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"elements": [
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"O"
],
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"density": 4.459627618121313,
"density_atomic": 0.10290278647767685,
"volume": 136.05073758655777,
"volume_molar": 5.852262087486239,
"formula_full": "Li2 Mn3 Ni1 O8",
"formula_reduced": "Li2Mn3NiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.904598008866995,
"spacegroup": 166
},
{
"id": "jvasp-46460",
"created_at": "2022-09-04T14:38:07.785011Z",
"updated_at": "2022-09-04T14:38:07.785026Z",
"structure_string": "Li1 Mn3 Ni2 O8\n1.0\n-0.000000 4.036041 4.036041\n4.143601 -0.015547 4.051588\n4.143601 4.051588 -0.015547\nLi Mn Ni O\n1 3 2 8\ndirect\n0.881791 0.868209 0.868209 Li\n0.116990 0.133010 0.133010 Mn\n0.990957 0.504095 0.504095 Mn\n0.500853 0.504095 0.504095 Mn\n0.499863 0.500985 -0.000710 Ni\n0.499863 -0.000710 0.500985 Ni\n0.245059 0.261712 0.261712 O\n0.731516 0.261712 0.261712 O\n0.246996 0.742415 0.263594 O\n0.246996 0.263594 0.742415 O\n0.748486 0.724754 0.278275 O\n0.748486 0.278275 0.724754 O\n0.754483 0.728928 0.728928 O\n0.287661 0.728928 0.728928 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
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"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 5.091853138831188,
"density_atomic": 0.1029143542414185,
"volume": 136.0354452320473,
"volume_molar": 5.851604282404712,
"formula_full": "Li1 Mn3 Ni2 O8",
"formula_reduced": "LiMn3(NiO4)2",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 44
},
{
"id": "jvasp-57336",
"created_at": "2022-09-04T14:37:41.738700Z",
"updated_at": "2022-09-04T14:37:41.738729Z",
"structure_string": "Li4 Mn4 Ni2 O12\n1.0\n4.983752 0.000000 0.000000\n-2.491877 4.322427 -0.000000\n-0.000000 -0.000000 10.015123\nLi Mn Ni O\n4 4 2 12\ndirect\n0.168251 0.500000 0.250000 Li\n0.831748 0.500000 0.750000 Li\n0.331748 0.500000 0.750000 Li\n0.668251 0.500000 0.250000 Li\n0.162474 0.324949 0.500000 Mn\n0.837525 0.675052 0.500000 Mn\n0.662474 0.324949 0.000000 Mn\n0.337525 0.675052 0.000000 Mn\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.995799 0.642056 0.105662 O\n0.004200 0.357944 0.894337 O\n0.345839 -0.000000 0.900141 O\n0.845839 -0.000000 0.599859 O\n0.353744 0.357944 0.105662 O\n0.154161 -0.000000 0.400141 O\n0.853743 0.357944 0.394337 O\n0.504200 0.357944 0.605662 O\n0.654160 -0.000000 0.099859 O\n0.495799 0.642056 0.394337 O\n0.646256 0.642056 0.894337 O\n0.146256 0.642056 0.605662 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.286300813718688,
"density_atomic": 0.1019723206870789,
"volume": 215.74482027834893,
"volume_molar": 5.905662163441452,
"formula_full": "Li4 Mn4 Ni2 O12",
"formula_reduced": "Li2Mn2NiO6",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 64
},
{
"id": "jvasp-46921",
"created_at": "2022-09-04T14:38:08.127356Z",
"updated_at": "2022-09-04T14:38:08.127384Z",
"structure_string": "Li4 Mn2 Ni2 O8\n1.0\n5.793512 -0.193142 0.051408\n0.159852 5.794526 0.051408\n-2.940713 -2.766850 4.035977\nLi Mn Ni O\n4 2 2 8\ndirect\n0.000000 0.500001 0.500001 Li\n0.500000 0.500001 0.500001 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500001 0.000000 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500001 Ni\n0.233693 0.766310 0.005997 O\n0.225120 0.230044 0.477579 O\n0.233691 0.766307 0.494005 O\n0.769957 0.774881 0.022423 O\n0.230044 0.225121 0.977579 O\n0.766309 0.233694 0.505997 O\n0.774880 0.769958 0.522423 O\n0.766307 0.233692 0.994005 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.631634996349947,
"density_atomic": 0.11651487946964299,
"volume": 137.32151698417772,
"volume_molar": 5.168559404096556,
"formula_full": "Li4 Mn2 Ni2 O8",
"formula_reduced": "Li2MnNiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.1505329551724137,
"spacegroup": 74
},
{
"id": "jvasp-44364",
"created_at": "2022-09-04T14:38:08.664517Z",
"updated_at": "2022-09-04T14:38:08.664540Z",
"structure_string": "Li3 Mn4 Ni1 O8\n1.0\n0.061187 3.149165 -5.002554\n1.781251 -2.597717 -5.002554\n-5.138691 1.592822 -2.428324\nLi Mn Ni O\n3 4 1 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.500000 -0.000001 0.499999 Li\n0.500000 0.499999 0.499999 Li\n-0.000001 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000001 -0.000000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.499999 -0.000000 Ni\n0.456974 0.250131 0.793157 O\n0.994553 0.264349 0.763408 O\n0.500941 0.757960 0.763408 O\n0.025641 0.750505 0.724862 O\n0.974358 0.249494 0.275136 O\n0.499059 0.242039 0.236591 O\n0.005446 0.735650 0.236591 O\n0.543025 0.749867 0.206842 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.792723741551113,
"density_atomic": 0.10808295336576915,
"volume": 148.03444485693842,
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"formula_full": "Li3 Mn4 Ni1 O8",
"formula_reduced": "Li3Mn4NiO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.959268710344827,
"spacegroup": 12
},
{
"id": "jvasp-43047",
"created_at": "2022-09-04T14:38:09.922341Z",
"updated_at": "2022-09-04T14:38:09.922361Z",
"structure_string": "Li5 Mn5 Ni2 O12\n1.0\n5.071262 0.125712 -0.080530\n2.326780 4.507725 0.080530\n-0.595247 0.950408 9.590300\nLi Mn Ni O\n5 5 2 12\ndirect\n0.175724 0.651652 0.508642 Li\n0.305976 0.866017 0.986085 Li\n0.651650 0.175725 0.991358 Li\n0.866015 0.305978 0.513915 Li\n0.921615 0.921617 0.750000 Li\n0.072914 0.072915 0.250000 Mn\n0.986832 0.526453 0.990983 Mn\n0.526452 0.986834 0.509017 Mn\n0.412723 0.412723 0.250000 Mn\n0.579842 0.579843 0.750000 Mn\n0.748614 0.748615 0.250000 Ni\n0.254239 0.254241 0.750000 Ni\n0.804198 0.022465 0.382853 O\n0.933387 0.255440 0.867374 O\n0.255439 0.933389 0.632626 O\n0.178525 0.323831 0.381801 O\n0.323830 0.178526 0.118199 O\n0.297207 0.552340 0.867827 O\n0.552339 0.297208 0.632173 O\n0.429002 0.718279 0.357475 O\n0.718278 0.429003 0.142525 O\n0.632911 0.849807 0.876237 O\n0.849805 0.632912 0.623763 O\n0.022465 0.804199 0.117147 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.764899532755865,
"density_atomic": 0.11129694826907825,
"volume": 215.63933578822076,
"volume_molar": 5.410876806289879,
"formula_full": "Li5 Mn5 Ni2 O12",
"formula_reduced": "Li5Mn5(NiO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.883609708620689,
"spacegroup": 5
},
{
"id": "jvasp-47817",
"created_at": "2022-09-04T14:36:43.498584Z",
"updated_at": "2022-09-04T14:36:43.498609Z",
"structure_string": "Li1 Mn2 Ni1 O6\n1.0\n-2.895155 0.035723 -0.019118\n-0.081738 -5.772909 0.074078\n1.427886 1.550664 6.014917\nLi Mn Ni O\n1 2 1 6\ndirect\n0.500000 0.000001 0.500000 Li\n0.169928 0.820027 0.838492 Mn\n0.830073 0.179974 0.161508 Mn\n0.500000 0.500001 0.500000 Ni\n0.983669 0.259577 0.469990 O\n0.327762 0.952565 0.155240 O\n0.016332 0.740424 0.530011 O\n0.342141 0.400276 0.186368 O\n0.672239 0.047436 0.844760 O\n0.657860 0.599726 0.813632 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.475855535406968,
"density_atomic": 0.09927642007523539,
"volume": 100.72885376428385,
"volume_molar": 6.066033359619731,
"formula_full": "Li1 Mn2 Ni1 O6",
"formula_reduced": "LiMn2NiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.788986788275862,
"spacegroup": 12
},
{
"id": "jvasp-116848",
"created_at": "2022-09-04T14:38:50.747828Z",
"updated_at": "2022-09-04T14:38:50.747853Z",
"structure_string": "Li2 Mn1 Ni3 O8\n1.0\n4.958009 -0.008321 2.804324\n1.631790 4.681793 2.804324\n-0.011733 -0.008321 5.696134\nLi Mn Ni O\n2 1 3 8\ndirect\n0.123424 0.123424 0.123423 Li\n0.876577 0.876576 0.876574 Li\n0.500001 0.500000 0.499999 Mn\n0.500000 0.000000 0.499999 Ni\n0.000000 0.500000 0.499999 Ni\n0.500000 0.500000 -0.000001 Ni\n0.262546 0.262546 0.262545 O\n0.264809 0.264808 0.710047 O\n0.710049 0.264808 0.264807 O\n0.264809 0.710048 0.264807 O\n0.735193 0.289952 0.735190 O\n0.289952 0.735192 0.735190 O\n0.735192 0.735192 0.289950 O\n0.737455 0.737454 0.737452 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.672203858205343,
"density_atomic": 0.10563641243875083,
"volume": 132.53005925506375,
"volume_molar": 5.700819084036676,
"formula_full": "Li2 Mn1 Ni3 O8",
"formula_reduced": "Li2MnNi3O8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-119386",
"created_at": "2022-09-04T14:38:52.638212Z",
"updated_at": "2022-09-04T14:38:52.638236Z",
"structure_string": "Li5 Mn2 Ni5 O12\n1.0\n4.993132 0.014220 0.454945\n-2.623052 4.248666 0.454945\n-0.007866 -0.014149 9.582469\nLi Mn Ni O\n5 2 5 12\ndirect\n0.830625 0.666326 0.255522 Li\n0.673823 0.834399 0.742960 Li\n0.333674 0.169375 0.744477 Li\n0.165601 0.326177 0.257039 Li\n0.084733 0.915268 0.500000 Li\n0.746850 0.253149 0.500000 Mn\n0.250160 0.749841 -0.000001 Mn\n0.581558 0.418442 -0.000001 Ni\n0.487373 0.995378 0.256677 Ni\n0.419442 0.580559 0.500000 Ni\n0.916017 0.083983 -0.000000 Ni\n0.004623 0.512627 0.743322 Ni\n0.215455 0.024106 0.118930 O\n0.033494 0.232873 0.618427 O\n0.767127 0.966506 0.381573 O\n0.878142 0.383796 0.115010 O\n0.616204 0.121858 0.884989 O\n0.707453 0.524724 0.617151 O\n0.475276 0.292547 0.382848 O\n0.528112 0.709451 0.114933 O\n0.290549 0.471889 0.885066 O\n0.401716 0.883903 0.617459 O\n0.116098 0.598285 0.382540 O\n0.975893 0.784545 0.881069 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Li-Mn-Ni-O",
"density": 5.135881502205599,
"density_atomic": 0.11781712013130109,
"volume": 203.70553934142373,
"volume_molar": 5.11143096460738,
"formula_full": "Li5 Mn2 Ni5 O12",
"formula_reduced": "Li5Mn2Ni5O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.385633686781609,
"spacegroup": 5
},
{
"id": "jvasp-47883",
"created_at": "2022-09-04T14:37:07.251509Z",
"updated_at": "2022-09-04T14:37:07.251538Z",
"structure_string": "Li4 Mn2 Ni3 O10\n1.0\n5.027103 0.004413 0.055797\n-0.962576 4.946080 -0.040393\n-2.391293 -2.054540 6.783140\nLi Mn Ni O\n4 2 3 10\ndirect\n0.083748 0.769426 0.591203 Li\n0.697525 0.598619 0.223321 Li\n0.302474 0.401381 0.776680 Li\n0.916252 0.230573 0.408798 Li\n0.297318 0.897989 0.308797 Mn\n0.702681 0.102010 0.691204 Mn\n0.500000 -0.000000 0.000000 Ni\n0.896162 0.697611 0.897531 Ni\n0.103838 0.302389 0.102469 Ni\n0.712270 0.320428 0.948488 O\n0.466530 0.222158 0.225961 O\n0.899728 0.438409 0.668539 O\n0.100271 0.561591 0.331461 O\n0.927309 0.939620 0.150996 O\n0.287729 0.679572 0.051512 O\n0.683485 0.889798 0.449165 O\n0.316515 0.110202 0.550836 O\n0.533469 0.777842 0.774040 O\n0.072691 0.060380 0.849005 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.653422602163342,
"density_atomic": 0.11239849926796003,
"volume": 169.04140289901613,
"volume_molar": 5.357848013293406,
"formula_full": "Li4 Mn2 Ni3 O10",
"formula_reduced": "Li4Mn2Ni3O10",
"formula_anonymous": "A2B3C4D10",
"energy_above_hull": 2.466536667513612,
"spacegroup": 2
},
{
"id": "jvasp-43130",
"created_at": "2022-09-04T14:37:03.080026Z",
"updated_at": "2022-09-04T14:37:03.080053Z",
"structure_string": "Li4 Mn2 Ni4 O12\n1.0\n4.927291 0.075966 0.000000\n-2.410466 4.298095 0.000000\n0.000000 -0.000000 9.760346\nLi Mn Ni O\n4 2 4 12\ndirect\n0.138259 0.638260 0.750000 Li\n0.361740 0.861742 0.250000 Li\n0.638260 0.138260 0.750000 Li\n0.861741 0.361742 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.163742 0.836259 0.500000 Ni\n0.336258 0.663743 0.000000 Ni\n0.663742 0.336259 0.000000 Ni\n0.836258 0.163743 0.500000 Ni\n0.518672 0.181475 0.393788 O\n0.825129 0.825131 0.401245 O\n0.318526 0.981329 0.893788 O\n0.674871 0.674872 0.901245 O\n0.325129 0.325130 0.098756 O\n0.018672 0.681475 0.106212 O\n0.481328 0.818527 0.606213 O\n0.181474 0.518673 0.393788 O\n0.981328 0.318527 0.893788 O\n0.818526 0.481329 0.606213 O\n0.174871 0.174871 0.598756 O\n0.681474 0.018673 0.106212 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.495238219811724,
"density_atomic": 0.10551988178120518,
"volume": 208.49151485609949,
"volume_molar": 5.707114771495738,
"formula_full": "Li4 Mn2 Ni4 O12",
"formula_reduced": "Li2Mn(NiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.3060339128526643,
"spacegroup": 64
}
]
}