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{
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"results": [
{
"id": "mp-1100516",
"created_at": "2022-09-04T14:46:52.673413Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.102156 0.000000 0.000000\n0.192787 6.064991 0.000000\n2.032858 0.679280 9.620960\nLi Mn O\n9 7 16\ndirect\n0.491589 0.260881 0.999132 Li\n0.253053 0.502085 0.248024 Li\n0.508411 0.739119 0.000868 Li\n0.244426 0.999069 0.248118 Li\n0.755574 0.000931 0.751882 Li\n0.746947 0.497915 0.751976 Li\n0.996122 0.748496 0.498944 Li\n0.003878 0.251504 0.501056 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.750398 0.248751 0.244904 Mn\n0.500000 0.500000 0.500000 Mn\n0.249602 0.751249 0.755096 Mn\n0.750752 0.741866 0.244465 Mn\n0.500000 0.000000 0.500000 Mn\n0.249248 0.258134 0.755535 Mn\n0.352947 0.018696 0.880341 O\n0.093016 0.221707 0.117630 O\n0.367190 0.503766 0.863181 O\n0.100884 0.764204 0.126123 O\n0.606077 0.766606 0.626968 O\n0.602188 0.264813 0.626539 O\n0.859474 0.513208 0.375356 O\n0.849780 0.002397 0.371765 O\n0.632810 0.496234 0.136819 O\n0.397812 0.735187 0.373461 O\n0.647053 0.981304 0.119659 O\n0.393923 0.233394 0.373032 O\n0.899116 0.235796 0.873877 O\n0.906984 0.778293 0.882370 O\n0.150220 0.997603 0.628235 O\n0.140526 0.486792 0.624644 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"O"
],
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"density": 3.9211910733411144,
"density_atomic": 0.10748495411119308,
"volume": 297.71608747114533,
"volume_molar": 5.602775578961592,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
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"updated_at": "2021-11-28T01:37:42.483000Z",
"spacegroup": 2
},
{
"id": "mp-720196",
"created_at": "2022-09-04T14:39:41.369395Z",
"structure_string": "Mn4 Fe2 Ag4 P6 O24\n1.0\n6.089870 5.620793 0.000000\n-6.089870 5.620793 0.000000\n0.000000 3.656353 8.905111\nMn Fe Ag P O\n4 2 4 6 24\ndirect\n0.413419 0.035655 0.098590 Mn\n0.376224 0.623776 0.000000 Mn\n0.964345 0.586581 0.901410 Mn\n0.526778 0.473222 0.500000 Mn\n0.991861 0.378275 0.703391 Fe\n0.621725 0.008139 0.296609 Fe\n0.908198 0.091802 0.000000 Ag\n0.391787 0.330238 0.288007 Ag\n0.107622 0.892378 0.500000 Ag\n0.669762 0.608213 0.711993 Ag\n0.802364 0.414400 0.222299 P\n0.149209 0.850791 0.000000 P\n0.585600 0.197636 0.777701 P\n0.459539 0.748206 0.632160 P\n0.840291 0.159709 0.500000 P\n0.251794 0.540461 0.367840 P\n0.352648 0.874721 0.972209 O\n0.038506 0.371963 0.883553 O\n0.751004 0.287463 0.791389 O\n0.282020 0.232959 0.045691 O\n0.074636 0.910769 0.136241 O\n0.396146 0.371070 0.023437 O\n0.628930 0.603854 0.976563 O\n0.089231 0.925364 0.863759 O\n0.767041 0.717980 0.954309 O\n0.868051 0.345103 0.380706 O\n0.712537 0.248996 0.208611 O\n0.628037 0.961494 0.116447 O\n0.393548 0.063069 0.302274 O\n0.253818 0.727424 0.317488 O\n0.125279 0.647352 0.027791 O\n0.223416 0.461237 0.538261 O\n0.977453 0.172435 0.577645 O\n0.487822 0.341372 0.711419 O\n0.658628 0.512178 0.288581 O\n0.827565 0.022547 0.422355 O\n0.538763 0.776584 0.461739 O\n0.272576 0.746182 0.682512 O\n0.936931 0.606452 0.697726 O\n0.654897 0.131949 0.619294 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Mn",
"Fe",
"Ag",
"P",
"O"
],
"chemical_system": "Ag-Fe-Mn-O-P",
"density": 3.6301169003072737,
"density_atomic": 0.06561226722089362,
"volume": 609.6420942951712,
"volume_molar": 9.178376262666784,
"formula_full": "Mn4 Fe2 Ag4 P6 O24",
"formula_reduced": "Mn2FeAg2(PO4)3",
"formula_anonymous": "AB2C2D3E12",
"energy": -265.77510288,
"energy_per_atom": -6.644377572000001,
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"energy_uncorrected": -250.72710288,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:43.831000Z",
"spacegroup": 5
},
{
"id": "mp-776450",
"created_at": "2022-09-04T14:42:17.313635Z",
"structure_string": "Li2 Mn6 B6 O18\n1.0\n5.784192 0.000000 0.000000\n-1.518419 7.975504 0.000000\n-2.375402 -3.733380 8.033992\nLi Mn B O\n2 6 6 18\ndirect\n0.485156 0.172733 0.896050 Li\n0.514844 0.827267 0.103950 Li\n0.568942 0.823469 0.770331 Mn\n0.785498 0.526261 0.864707 Mn\n0.077228 0.829602 0.513105 Mn\n0.922772 0.170398 0.486895 Mn\n0.214502 0.473739 0.135293 Mn\n0.431058 0.176531 0.229669 Mn\n0.458856 0.192337 0.574924 B\n0.881276 0.141564 0.128139 B\n0.753291 0.506430 0.206855 B\n0.246709 0.493570 0.793145 B\n0.118724 0.858436 0.871861 B\n0.541144 0.807663 0.425076 B\n0.759101 0.076946 0.962733 O\n0.401351 0.781866 0.522372 O\n0.117474 0.277532 0.205735 O\n0.554021 0.269351 0.743517 O\n0.209921 0.072909 0.487553 O\n0.894741 0.531469 0.110316 O\n0.227072 0.912810 0.770053 O\n0.492476 0.620678 0.879449 O\n0.845245 0.586822 0.374891 O\n0.154755 0.413178 0.625109 O\n0.507524 0.379322 0.120551 O\n0.772928 0.087190 0.229947 O\n0.105259 0.468531 0.889684 O\n0.790079 0.927091 0.512447 O\n0.445979 0.730649 0.256483 O\n0.882526 0.722468 0.794265 O\n0.598649 0.218134 0.477628 O\n0.240899 0.923054 0.037267 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.119996400075728,
"density_atomic": 0.08634113347839562,
"volume": 370.62288518608665,
"volume_molar": 6.9748224483372905,
"formula_full": "Li2 Mn6 B6 O18",
"formula_reduced": "LiMn3(BO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -264.88656244000003,
"energy_per_atom": -8.277705076250001,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:39.468000Z",
"spacegroup": 2
},
{
"id": "mp-1100555",
"created_at": "2022-09-04T14:45:57.342758Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.085779 0.000000 0.000000\n-1.896340 7.544132 0.000000\n-1.189370 -1.655554 7.738360\nLi Mn O\n9 7 16\ndirect\n0.496288 0.634003 0.378828 Li\n0.978334 0.245915 0.738390 Li\n0.504117 0.875252 0.137622 Li\n0.021666 0.754085 0.261610 Li\n0.503712 0.365997 0.621172 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.495883 0.124748 0.862378 Li\n0.500000 0.000000 0.500000 Li\n0.993608 0.875636 0.615215 Mn\n0.006392 0.124364 0.384785 Mn\n0.500000 0.500000 0.000000 Mn\n0.490887 0.754122 0.738526 Mn\n0.006534 0.373586 0.128956 Mn\n0.993466 0.626414 0.871044 Mn\n0.509113 0.245878 0.261474 Mn\n0.743277 0.644111 0.621401 O\n0.249403 0.266446 0.003543 O\n0.786307 0.886483 0.394790 O\n0.226422 0.759907 0.504802 O\n0.742809 0.386287 0.874956 O\n0.249818 0.016903 0.252346 O\n0.243889 0.522203 0.754763 O\n0.777739 0.130874 0.154886 O\n0.257191 0.613713 0.125044 O\n0.773578 0.240093 0.495198 O\n0.222261 0.869126 0.845114 O\n0.750597 0.733554 0.996457 O\n0.256723 0.355889 0.378599 O\n0.750182 0.983097 0.747654 O\n0.756111 0.477797 0.245237 O\n0.213693 0.113517 0.605210 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.9319194795926213,
"density_atomic": 0.1077790336987626,
"volume": 296.90375671244664,
"volume_molar": 5.58748817217234,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.91991024,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.972000Z",
"spacegroup": 2
},
{
"id": "mp-1100495",
"created_at": "2022-09-04T14:44:26.208256Z",
"structure_string": "Li9 Mn7 O16\n1.0\n2.896849 9.839599 0.000000\n-2.896849 9.839599 0.000000\n0.000000 0.628222 5.217558\nLi Mn O\n9 7 16\ndirect\n0.259552 0.740448 0.500000 Li\n0.620355 0.620355 0.251848 Li\n0.000000 0.500000 0.000000 Li\n0.379645 0.379645 0.748152 Li\n0.740448 0.259552 0.500000 Li\n0.123721 0.123721 0.242014 Li\n0.500000 0.000000 0.000000 Li\n0.876279 0.876279 0.757986 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.624649 0.132261 0.233739 Mn\n0.375351 0.867739 0.766261 Mn\n0.749843 0.749843 0.499354 Mn\n0.132261 0.624649 0.233739 Mn\n0.867739 0.375351 0.766261 Mn\n0.250157 0.250157 0.500646 Mn\n0.176224 0.705241 0.883706 O\n0.569834 0.569834 0.630038 O\n0.944313 0.439960 0.388581 O\n0.318661 0.318661 0.126762 O\n0.705241 0.176224 0.883706 O\n0.059687 0.059687 0.667413 O\n0.439960 0.944313 0.388581 O\n0.819781 0.819781 0.134617 O\n0.294759 0.823776 0.116294 O\n0.681339 0.681339 0.873238 O\n0.055687 0.560040 0.611419 O\n0.430166 0.430166 0.369962 O\n0.823776 0.294759 0.116294 O\n0.180219 0.180219 0.865383 O\n0.560040 0.055687 0.611419 O\n0.940313 0.940313 0.332587 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.9248202303869,
"density_atomic": 0.10758443403227641,
"volume": 297.44079882782745,
"volume_molar": 5.5975948697125615,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.40653548,
"energy_per_atom": -7.13770423375,
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"updated_at": "2021-11-28T01:36:39.099000Z",
"spacegroup": 12
},
{
"id": "mp-1175164",
"created_at": "2022-09-04T14:41:49.794097Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n-5.876992 0.082035 0.543070\n3.334751 0.115042 9.548588\n0.298763 7.532450 3.276352\nLi Mn Co O\n14 8 2 24\ndirect\n0.666696 0.333319 0.833339 Li\n0.166705 0.333307 0.833366 Li\n0.666732 0.833281 0.333364 Li\n0.166735 0.833299 0.333340 Li\n0.666649 0.833320 0.833331 Li\n0.166655 0.833320 0.833336 Li\n0.508679 0.507331 0.998130 Li\n0.015774 0.508021 0.000388 Li\n0.317563 0.158662 0.666254 Li\n0.824645 0.159335 0.668571 Li\n0.488734 0.994881 0.526562 Li\n0.007365 0.000893 0.524517 Li\n0.844580 0.671802 0.140107 Li\n0.326050 0.665774 0.142152 Li\n0.989731 0.995500 0.992633 Mn\n0.491135 0.995911 0.992084 Mn\n0.343617 0.671179 0.674011 Mn\n0.842187 0.670788 0.674603 Mn\n0.503215 0.502130 0.493430 Mn\n0.007815 0.503787 0.491577 Mn\n0.325471 0.162916 0.175188 Mn\n0.830081 0.164535 0.173298 Mn\n0.666680 0.333343 0.333317 Co\n0.166644 0.333349 0.333339 Co\n0.309560 0.149334 0.935199 O\n0.807495 0.148827 0.931094 O\n0.525832 0.517837 0.735530 O\n0.023792 0.517341 0.731451 O\n0.355199 0.662354 0.431255 O\n0.847316 0.659998 0.430339 O\n0.485964 0.006689 0.236322 O\n0.978130 0.004315 0.235361 O\n0.174393 0.323511 0.098843 O\n0.680383 0.324779 0.102726 O\n0.652917 0.341871 0.563929 O\n0.158863 0.343142 0.567844 O\n0.653785 0.812932 0.595175 O\n0.154286 0.812708 0.593358 O\n0.679566 0.853720 0.071490 O\n0.179085 0.853961 0.073279 O\n0.479129 0.477534 0.261788 O\n0.009917 0.495005 0.258366 O\n0.323402 0.171687 0.408302 O\n0.854188 0.189137 0.404825 O\n0.000009 0.002821 0.767666 O\n0.499037 0.004119 0.766442 O\n0.834300 0.662557 0.900213 O\n0.333313 0.663839 0.898965 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9786503739589354,
"density_atomic": 0.11074107218572819,
"volume": 433.4435187650822,
"volume_molar": 5.43803725315214,
"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -330.89239736,
"energy_per_atom": -6.893591611666667,
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"updated_at": "2021-11-28T01:35:27.635000Z",
"spacegroup": 2
},
{
"id": "mp-1100534",
"created_at": "2022-09-04T14:45:22.284928Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.996108 0.000000 0.000000\n-0.444134 6.040498 0.000000\n-0.053630 -0.122458 8.191671\nLi Mn O\n9 7 16\ndirect\n0.253483 0.743628 0.745624 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.254991 0.256368 0.743940 Li\n0.746517 0.256372 0.254376 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.745009 0.743632 0.256060 Li\n0.500000 0.500000 0.500000 Li\n0.743547 0.750139 0.747375 Mn\n0.500000 0.000000 0.500000 Mn\n0.256453 0.249861 0.252625 Mn\n0.000000 0.000000 0.000000 Mn\n0.743156 0.258085 0.747032 Mn\n0.256844 0.741915 0.252968 Mn\n0.000000 0.500000 0.000000 Mn\n0.979728 0.997071 0.760850 O\n0.723335 0.778024 0.511889 O\n0.240041 0.734712 0.012918 O\n0.995501 0.486460 0.755768 O\n0.475771 0.496880 0.249106 O\n0.241022 0.234092 0.011317 O\n0.740660 0.235682 0.512107 O\n0.499536 0.982872 0.263587 O\n0.524229 0.503120 0.750894 O\n0.276665 0.221976 0.488111 O\n0.759959 0.265288 0.987082 O\n0.500464 0.017128 0.736413 O\n0.020272 0.002929 0.239150 O\n0.758978 0.765908 0.988683 O\n0.259340 0.764318 0.487893 O\n0.004499 0.513540 0.244232 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"O"
],
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"density": 3.934645549057647,
"density_atomic": 0.10785375881311479,
"volume": 296.69805069518696,
"volume_molar": 5.5836169515751,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.73803661,
"energy_per_atom": -7.1480636440625,
"energy_above_hull": null,
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"spacegroup": 2
},
{
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{
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{
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]
}