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{
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"results": [
{
"id": "jvasp-8640",
"created_at": "2022-09-04T14:36:46.027323Z",
"updated_at": "2022-09-04T14:36:46.027333Z",
"structure_string": "Li1 Mn1 O2\n1.0\n3.147609 -0.179778 0.080248\n-1.728992 2.636366 -0.080314\n0.149179 -0.086056 5.066533\nLi Mn O\n1 1 2\ndirect\n0.676416 0.323574 0.414222 Li\n0.980970 0.018992 0.974823 Mn\n0.369111 0.630869 0.219549 O\n0.640098 0.359859 0.782806 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.855815275651127,
"density_atomic": 0.09893819928462871,
"volume": 40.4292783669194,
"volume_molar": 6.086770128770289,
"formula_full": "Li1 Mn1 O2",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9432235603448276,
"spacegroup": 8
},
{
"id": "jvasp-102842",
"created_at": "2022-09-04T14:36:50.050111Z",
"updated_at": "2022-09-04T14:36:50.050134Z",
"structure_string": "Li3 Mn1 O4\n1.0\n2.380715 -0.004547 4.303599\n-0.072649 2.822097 9.543026\n-0.067653 -0.019680 9.537328\nLi Mn O\n3 1 4\ndirect\n0.998150 0.004494 -0.004529 Li\n0.998148 0.504464 0.995510 Li\n0.498151 0.004530 0.495439 Li\n0.498130 0.504445 0.495533 Mn\n0.271289 0.004527 0.222268 O\n0.178402 0.504511 0.268716 O\n0.724967 0.004499 0.768652 O\n0.817877 0.504519 0.722193 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.5511335547464036,
"density_atomic": 0.12241347149083968,
"volume": 65.35228437336366,
"volume_molar": 4.919508193549305,
"formula_full": "Li3 Mn1 O4",
"formula_reduced": "Li3MnO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.069460155172414,
"spacegroup": 65
},
{
"id": "jvasp-47888",
"created_at": "2022-09-04T14:36:48.699816Z",
"updated_at": "2022-09-04T14:36:48.699838Z",
"structure_string": "Li2 Mn4 O8\n1.0\n2.680792 -3.039689 4.021673\n-2.680792 3.039689 4.021673\n-3.072281 -2.643455 4.021673\nLi Mn O\n2 4 8\ndirect\n0.500000 -0.000001 0.500001 Li\n0.500000 0.500000 0.000000 Li\n-0.000000 0.499999 0.500000 Mn\n-0.000000 -0.000001 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.242338 0.761525 0.019179 O\n0.240749 0.214194 0.026562 O\n0.240756 0.767310 0.473438 O\n0.219295 0.238483 0.519180 O\n0.780704 0.761515 0.480821 O\n0.759243 0.232688 0.526562 O\n0.759250 0.785804 0.973439 O\n0.757662 0.238474 -0.019179 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.54529319244131,
"density_atomic": 0.10596858467012531,
"volume": 132.11462664695648,
"volume_molar": 5.682949129448706,
"formula_full": "Li2 Mn4 O8",
"formula_reduced": "LiMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.787596926108374,
"spacegroup": 74
},
{
"id": "jvasp-118982",
"created_at": "2022-09-04T14:38:50.803895Z",
"updated_at": "2022-09-04T14:38:50.803921Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.760708 0.080182 -0.651827\n-0.659143 9.428624 -1.660045\n0.053313 -0.028119 6.393454\nLi Mn O\n6 4 10\ndirect\n0.900005 0.699999 0.799992 Li\n0.400009 0.200003 0.800004 Li\n0.089538 0.294756 0.179077 Li\n0.710495 0.105244 0.420929 Li\n0.495402 0.488728 0.991270 Li\n0.304637 0.911278 0.608732 Li\n0.996630 0.005450 0.993577 Mn\n0.601732 0.799374 0.203496 Mn\n0.803347 0.394547 0.606420 Mn\n0.198248 0.600621 0.396496 Mn\n0.143030 0.937213 0.286680 O\n0.547923 0.133556 0.096591 O\n0.252072 0.266441 0.503413 O\n0.338726 0.542095 0.677788 O\n0.461263 0.857904 0.922204 O\n0.939354 0.356239 0.878617 O\n0.860651 0.043765 0.721386 O\n0.743332 0.739966 0.487293 O\n0.056655 0.660032 0.112699 O\n0.656956 0.462783 0.313318 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.191628764704181,
"density_atomic": 0.11980563304917902,
"volume": 166.93705872569615,
"volume_molar": 5.026592328532643,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.497132198275862,
"spacegroup": 12
},
{
"id": "jvasp-119720",
"created_at": "2022-09-04T14:38:52.288574Z",
"updated_at": "2022-09-04T14:38:52.288602Z",
"structure_string": "Li3 Mn5 O10\n1.0\n4.832032 0.005602 -1.007277\n-1.263590 4.623557 -1.804314\n0.051090 -0.035582 7.648920\nLi Mn O\n3 5 10\ndirect\n0.223755 0.927330 0.424302 Li\n0.500000 0.500000 0.500001 Li\n0.776243 0.072669 0.575697 Li\n0.107435 0.695817 0.692384 Mn\n-0.000001 0.500000 -0.000001 Mn\n0.692441 0.883796 0.895288 Mn\n0.307558 0.116206 0.104714 Mn\n0.892566 0.304185 0.307617 Mn\n0.658509 0.264845 0.055137 O\n0.779355 0.530195 0.762408 O\n0.545096 0.126302 0.334856 O\n0.454906 0.873701 0.665144 O\n0.036429 0.069258 0.855336 O\n0.341491 0.735154 0.944862 O\n0.119025 0.317433 0.539086 O\n0.880975 0.682566 0.460913 O\n0.220644 0.469804 0.237593 O\n0.963571 0.930744 0.144666 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.427930297228675,
"density_atomic": 0.10537289537453688,
"volume": 170.82191711654968,
"volume_molar": 5.71507572093842,
"formula_full": "Li3 Mn5 O10",
"formula_reduced": "Li3Mn5O10",
"formula_anonymous": "A3B5C10",
"energy_above_hull": 3.199708400383142,
"spacegroup": 2
},
{
"id": "jvasp-103153",
"created_at": "2022-09-04T14:37:07.622009Z",
"updated_at": "2022-09-04T14:37:07.622038Z",
"structure_string": "Li4 Mn2 O4\n1.0\n4.269628 0.253098 2.010545\n0.989864 4.597696 0.466096\n0.194394 0.126608 5.125849\nLi Mn O\n4 2 4\ndirect\n0.948395 0.250001 0.603214 Li\n0.448394 0.750001 0.603215 Li\n0.551604 0.250001 0.396788 Li\n0.051603 0.750001 0.396788 Li\n0.749999 0.750001 0.000001 Mn\n0.250000 0.250000 0.000001 Mn\n0.145053 0.500001 0.709901 O\n0.645050 0.000005 0.709901 O\n0.354946 -0.000000 0.290101 O\n0.854949 0.499996 0.290102 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.431854376041821,
"density_atomic": 0.10249626509551825,
"volume": 97.56453067515004,
"volume_molar": 5.875473369090913,
"formula_full": "Li4 Mn2 O4",
"formula_reduced": "Li2MnO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8508008482758616,
"spacegroup": 71
},
{
"id": "jvasp-112401",
"created_at": "2022-09-04T14:38:40.931870Z",
"updated_at": "2022-09-04T14:38:40.931901Z",
"structure_string": "Li2 Mn6 O8\n1.0\n4.924467 -0.087375 -1.519667\n-0.258554 6.185158 -0.188216\n0.066018 -0.087363 5.153215\nLi Mn O\n2 6 8\ndirect\n0.500038 0.249925 0.000038 Li\n0.500040 0.749927 0.000039 Li\n0.000003 0.750011 0.500003 Mn\n-0.000004 0.500007 -0.000009 Mn\n0.499993 0.500008 0.499999 Mn\n0.000005 0.250014 0.500003 Mn\n-0.000005 0.000008 -0.000007 Mn\n0.499996 0.000011 0.499998 Mn\n0.754461 0.016748 0.254464 O\n0.754472 0.516757 0.254474 O\n0.245521 0.483296 0.745517 O\n0.245514 0.983289 0.745512 O\n0.753869 0.250000 0.746120 O\n0.753875 0.749997 0.746112 O\n0.246120 0.250008 0.253867 O\n0.246114 0.750004 0.253870 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.975881925221648,
"density_atomic": 0.1016843732283487,
"volume": 157.34964470960955,
"volume_molar": 5.922385681107864,
"formula_full": "Li2 Mn6 O8",
"formula_reduced": "LiMn3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.146346965517241,
"spacegroup": 12
},
{
"id": "jvasp-112905",
"created_at": "2022-09-04T14:38:43.055021Z",
"updated_at": "2022-09-04T14:38:43.055048Z",
"structure_string": "Li6 Mn4 O10\n1.0\n4.712348 -0.000047 1.742933\n-0.058998 7.100673 2.455278\n-0.118253 0.000020 4.910606\nLi Mn O\n6 4 10\ndirect\n0.500000 0.800001 0.099999 Li\n0.000000 0.800001 0.600000 Li\n0.500010 0.196444 0.901784 Li\n0.499991 0.403554 0.298217 Li\n0.499996 0.610696 0.694642 Li\n0.500005 0.989302 0.505360 Li\n0.000006 0.993053 0.003466 Mn\n0.000004 0.197214 0.401382 Mn\n-0.000008 0.606948 0.196536 Mn\n-0.000005 0.402785 0.798620 Mn\n0.773768 0.587527 0.956580 O\n0.234327 0.799996 0.873142 O\n0.765674 0.800002 0.326859 O\n0.224615 0.198626 0.658499 O\n0.224618 0.401375 0.057126 O\n0.775381 0.198624 0.142874 O\n0.775387 0.401374 0.541501 O\n0.226224 0.587527 0.455905 O\n0.226234 0.012472 0.243421 O\n0.773776 0.012472 0.744096 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.220978936853461,
"density_atomic": 0.12064452316847016,
"volume": 165.7762779009176,
"volume_molar": 4.991640400941016,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.494556198275862,
"spacegroup": 12
},
{
"id": "jvasp-111647",
"created_at": "2022-09-04T14:38:40.692603Z",
"updated_at": "2022-09-04T14:38:40.692621Z",
"structure_string": "Li5 Mn3 O8\n1.0\n2.846898 0.000000 0.000000\n0.000000 4.859405 0.926630\n0.000000 -0.105105 9.738587\nLi Mn O\n5 3 8\ndirect\n0.000000 0.211884 0.283709 Li\n0.500000 0.260000 0.728401 Li\n0.000000 0.788116 0.716291 Li\n0.500000 0.740000 0.271599 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500001 -0.000000 Mn\n0.000000 0.370694 0.892089 O\n0.500000 0.380735 0.388018 O\n0.000000 0.843137 0.382353 O\n0.500000 0.870888 0.890275 O\n0.000000 0.156863 0.617647 O\n0.500000 0.129112 0.109725 O\n0.000000 0.629306 0.107911 O\n0.500000 0.619265 0.611982 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.028427837766699,
"density_atomic": 0.11851577483552729,
"volume": 135.0031252987573,
"volume_molar": 5.081298897431459,
"formula_full": "Li5 Mn3 O8",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy_above_hull": 2.6371931077586206,
"spacegroup": 10
},
{
"id": "jvasp-98001",
"created_at": "2022-09-04T14:35:59.876204Z",
"updated_at": "2022-09-04T14:35:59.876229Z",
"structure_string": "Li2 Mn2 O8\n1.0\n4.972757 0.028065 0.000000\n-1.950786 4.574224 -0.000000\n-0.000000 0.000000 6.241686\nLi Mn O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.360846 0.639153 0.750000 Mn\n0.639154 0.360847 0.250000 Mn\n0.249752 0.750247 0.960794 O\n0.716855 0.767837 0.750000 O\n0.750248 0.249754 0.039206 O\n0.750248 0.249754 0.460794 O\n0.249752 0.750247 0.539207 O\n0.767837 0.716855 0.250000 O\n0.232163 0.283145 0.750000 O\n0.283145 0.232163 0.250000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.9374035649089505,
"density_atomic": 0.08431806111254679,
"volume": 142.31826303480267,
"volume_molar": 7.142171772619054,
"formula_full": "Li2 Mn2 O8",
"formula_reduced": "LiMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.4210818735632187,
"spacegroup": 63
},
{
"id": "jvasp-48233",
"created_at": "2022-09-04T14:35:55.588461Z",
"updated_at": "2022-09-04T14:35:55.588488Z",
"structure_string": "Li4 Mn5 O10\n1.0\n-5.033852 -0.250445 -0.707174\n0.566796 4.864255 0.019543\n-1.270198 -2.288635 -7.009651\nLi Mn O\n4 5 10\ndirect\n0.487348 0.887073 0.295194 Li\n0.487366 0.288450 0.098832 Li\n0.485383 0.505905 0.525845 Li\n0.485363 0.104585 0.722217 Li\n0.983703 -0.010037 0.008970 Mn\n-0.010104 0.594077 0.209435 Mn\n0.982800 0.798898 0.611626 Mn\n0.986357 0.196487 0.410523 Mn\n0.988993 0.403014 0.812078 Mn\n0.206906 0.750452 0.762890 O\n0.767545 0.445284 0.651866 O\n0.213970 0.546297 0.367415 O\n0.759568 0.245707 0.255405 O\n0.765789 0.642522 0.058167 O\n0.758734 0.846683 0.453638 O\n0.205162 0.947679 0.169175 O\n0.213134 0.147275 0.565651 O\n0.205695 0.336711 -0.032714 O\n0.766997 0.056266 0.853769 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.5990560008773445,
"density_atomic": 0.11379156868632545,
"volume": 166.97194897079635,
"volume_molar": 5.292255682493015,
"formula_full": "Li4 Mn5 O10",
"formula_reduced": "Li4Mn5O10",
"formula_anonymous": "A4B5C10",
"energy_above_hull": 3.085177958257713,
"spacegroup": 2
},
{
"id": "jvasp-52791",
"created_at": "2022-09-04T14:36:20.832061Z",
"updated_at": "2022-09-04T14:36:20.832087Z",
"structure_string": "Li6 Mn4 O8\n1.0\n5.083252 -0.070498 -2.797753\n-1.471734 4.866049 -2.797753\n0.208251 0.276526 6.390150\nLi Mn O\n6 4 8\ndirect\n0.875029 0.124971 0.750000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.124972 0.875029 0.250001 Li\n0.500000 0.000000 0.500000 Li\n0.500000 -0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500001 0.500001 Mn\n0.500000 0.500000 0.500001 Mn\n0.734695 0.240470 0.981014 O\n0.265306 0.759530 0.018987 O\n0.246344 0.240501 0.981052 O\n0.759500 0.753656 0.518950 O\n0.759530 0.265305 0.518987 O\n0.240500 0.246345 0.481051 O\n0.240470 0.734695 0.481014 O\n0.753656 0.759500 0.018950 O\n",
"nsites": 18,
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"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.9105793467427823,
"density_atomic": 0.10886190904752953,
"volume": 165.3470911679597,
"volume_molar": 5.531908095944479,
"formula_full": "Li6 Mn4 O8",
"formula_reduced": "Li3Mn2O4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.4668042758620685,
"spacegroup": 141
}
]
}