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{
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"results": [
{
"id": "mp-1177356",
"created_at": "2022-09-04T14:47:46.466587Z",
"structure_string": "Li4 Nb3 V3 Fe2 O16\n1.0\n3.070071 5.253334 0.000000\n-3.070071 5.253334 0.000000\n0.000000 0.125851 9.894073\nLi Nb V Fe O\n4 3 3 2 16\ndirect\n0.331865 0.331865 0.098982 Li\n0.992723 0.992723 0.000965 Li\n0.987568 0.987568 0.505911 Li\n0.665540 0.665540 0.614418 Li\n0.169528 0.169528 0.785739 Nb\n0.836460 0.342661 0.286600 Nb\n0.342661 0.836460 0.286600 Nb\n0.663835 0.166939 0.784708 V\n0.166939 0.663835 0.784708 V\n0.826936 0.826936 0.290277 V\n0.348339 0.348339 0.520229 Fe\n0.673621 0.673621 0.996914 Fe\n0.673697 0.174685 0.402698 O\n0.481402 0.481402 0.662878 O\n0.327893 0.327893 0.898045 O\n0.004405 0.004405 0.683926 O\n0.002735 0.002735 0.188035 O\n0.174685 0.673697 0.402698 O\n0.476284 0.041831 0.656982 O\n0.041831 0.476284 0.656982 O\n0.841181 0.841181 0.889773 O\n0.161680 0.161680 0.400216 O\n0.969303 0.501588 0.164265 O\n0.501588 0.969303 0.164265 O\n0.658347 0.658347 0.404333 O\n0.846928 0.316479 0.894166 O\n0.515850 0.515850 0.172687 O\n0.316479 0.846928 0.894166 O\n",
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"Nb",
"V",
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"O"
],
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"density_atomic": 0.08773431558318953,
"volume": 319.14536306435815,
"volume_molar": 6.864065354553106,
"formula_full": "Li4 Nb3 V3 Fe2 O16",
"formula_reduced": "Li4Nb3V3(FeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -231.19900686,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.744000Z",
"spacegroup": 8
},
{
"id": "mp-885334",
"created_at": "2022-09-04T14:48:00.089475Z",
"structure_string": "Li4 Ti2 Mn3 V3 O16\n1.0\n2.937422 5.258880 0.000000\n-2.937422 5.258880 0.000000\n0.000000 0.510197 9.611647\nLi Ti Mn V O\n4 2 3 3 16\ndirect\n0.346136 0.346136 0.898554 Li\n0.998517 0.998517 0.991590 Li\n0.998443 0.998443 0.492203 Li\n0.665296 0.665296 0.400348 Li\n0.341164 0.341164 0.498097 Ti\n0.664630 0.664630 0.997330 Ti\n0.166962 0.166962 0.206429 Mn\n0.344111 0.840488 0.711798 Mn\n0.840488 0.344111 0.711798 Mn\n0.155972 0.652468 0.220147 V\n0.652468 0.155972 0.220147 V\n0.829772 0.829772 0.726562 V\n0.157818 0.656689 0.593442 O\n0.478334 0.478334 0.340140 O\n0.351406 0.351406 0.102665 O\n0.989067 0.989067 0.304880 O\n0.001506 0.001506 0.801882 O\n0.656689 0.157818 0.593442 O\n0.035727 0.500820 0.344228 O\n0.500820 0.035727 0.344228 O\n0.830873 0.830873 0.103315 O\n0.164480 0.164480 0.589870 O\n0.536634 0.970559 0.849660 O\n0.970559 0.536634 0.849660 O\n0.675846 0.675846 0.608900 O\n0.334072 0.817341 0.087875 O\n0.530210 0.530210 0.836559 O\n0.817341 0.334072 0.087875 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-Ti-V",
"density": 3.8982852124396503,
"density_atomic": 0.09429108194626606,
"volume": 296.95279152652466,
"volume_molar": 6.38675539159881,
"formula_full": "Li4 Ti2 Mn3 V3 O16",
"formula_reduced": "Li4Ti2Mn3V3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -228.53977281,
"energy_per_atom": -8.162134743214285,
"energy_above_hull": null,
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"energy_uncorrected": -207.44377281,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 15.9999653,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.722000Z",
"spacegroup": 8
},
{
"id": "mp-772169",
"created_at": "2022-09-04T14:48:11.862034Z",
"structure_string": "Li4 Fe3 Ni3 Te2 O16\n1.0\n2.968938 5.146496 0.000000\n-2.968938 5.146496 0.000000\n0.000000 0.060120 9.706433\nLi Fe Ni Te O\n4 3 3 2 16\ndirect\n0.664888 0.664888 0.091232 Li\n0.997078 0.997078 0.016356 Li\n0.997993 0.997993 0.512956 Li\n0.332945 0.332945 0.587668 Li\n0.341076 0.831050 0.787419 Fe\n0.831050 0.341076 0.787419 Fe\n0.170694 0.170694 0.286805 Fe\n0.828337 0.828337 0.788718 Ni\n0.170777 0.658718 0.287884 Ni\n0.658718 0.170777 0.287884 Ni\n0.669431 0.669431 0.514648 Te\n0.335938 0.335938 0.018388 Te\n0.344790 0.831823 0.408737 O\n0.519226 0.519226 0.647334 O\n0.660525 0.660525 0.891407 O\n0.002703 0.002703 0.701727 O\n0.001764 0.001764 0.203631 O\n0.831823 0.344790 0.408737 O\n0.514941 0.962198 0.646825 O\n0.962198 0.514941 0.646825 O\n0.173410 0.173410 0.907654 O\n0.831011 0.831011 0.409943 O\n0.036207 0.477413 0.146751 O\n0.477413 0.036207 0.146751 O\n0.330429 0.330429 0.388038 O\n0.174227 0.658394 0.910563 O\n0.481123 0.481123 0.149454 O\n0.658394 0.174227 0.910563 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Ni",
"Te",
"O"
],
"chemical_system": "Fe-Li-Ni-O-Te",
"density": 4.940781371815187,
"density_atomic": 0.09439643797845532,
"volume": 296.62136198815693,
"volume_molar": 6.379627122555695,
"formula_full": "Li4 Fe3 Ni3 Te2 O16",
"formula_reduced": "Li4Fe3Ni3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -183.47652897,
"energy_per_atom": -6.5527331775,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.377000Z",
"spacegroup": 8
},
{
"id": "mp-756039",
"created_at": "2022-09-04T14:48:18.448469Z",
"structure_string": "Li4 Mn3 V2 Cu3 O16\n1.0\n2.909538 5.106023 0.000000\n-2.909538 5.106023 0.000000\n0.000000 0.286485 9.603141\nLi Mn V Cu O\n4 3 2 3 16\ndirect\n0.671785 0.671785 0.901730 Li\n0.997668 0.997668 0.994666 Li\n0.000656 0.000656 0.486989 Li\n0.324318 0.324318 0.405415 Li\n0.824493 0.824493 0.218776 Mn\n0.664282 0.167803 0.717121 Mn\n0.167803 0.664282 0.717121 Mn\n0.639023 0.639023 0.480622 V\n0.333822 0.333822 0.993188 V\n0.827007 0.334856 0.207409 Cu\n0.334856 0.827007 0.207409 Cu\n0.171097 0.171097 0.712928 Cu\n0.821185 0.343062 0.589594 O\n0.510251 0.510251 0.370935 O\n0.667541 0.667541 0.113789 O\n0.996201 0.996201 0.296263 O\n0.002533 0.002533 0.806024 O\n0.343062 0.821185 0.589594 O\n0.956531 0.530788 0.346566 O\n0.530788 0.956531 0.346566 O\n0.178105 0.178105 0.063802 O\n0.843513 0.843513 0.608791 O\n0.506957 0.045885 0.849093 O\n0.045885 0.506957 0.849093 O\n0.337777 0.337777 0.615673 O\n0.654766 0.162076 0.092916 O\n0.485935 0.485935 0.833197 O\n0.162076 0.654766 0.092916 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O-V",
"density": 4.312902858672614,
"density_atomic": 0.09813138530245732,
"volume": 285.33175103662626,
"volume_molar": 6.136814171570855,
"formula_full": "Li4 Mn3 V2 Cu3 O16",
"formula_reduced": "Li4Mn3V2Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -196.78838822,
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"energy_above_hull": null,
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"energy_uncorrected": -177.39238822,
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"updated_at": "2021-11-28T01:38:52.995000Z",
"spacegroup": 8
},
{
"id": "mp-849709",
"created_at": "2022-09-04T14:39:06.109194Z",
"structure_string": "Li4 Ti3 V2 Cu3 O16\n1.0\n2.959434 5.122263 0.000000\n-2.959434 5.122263 0.000000\n0.000000 0.173945 9.734021\nLi Ti V Cu O\n4 3 2 3 16\ndirect\n0.673364 0.673364 0.093504 Li\n0.993014 0.993014 0.016210 Li\n0.996917 0.996917 0.506354 Li\n0.335384 0.335384 0.593816 Li\n0.345439 0.846052 0.777546 Ti\n0.846052 0.345439 0.777546 Ti\n0.181532 0.181532 0.262924 Ti\n0.661664 0.661664 0.500835 V\n0.361626 0.361626 0.013817 V\n0.828733 0.828733 0.791058 Cu\n0.172633 0.662158 0.296823 Cu\n0.662158 0.172633 0.296823 Cu\n0.350388 0.826697 0.413274 O\n0.517157 0.517157 0.665821 O\n0.661941 0.661941 0.890805 O\n0.995067 0.995067 0.697223 O\n0.000383 0.000383 0.210128 O\n0.826697 0.350388 0.413274 O\n0.496017 0.962727 0.652406 O\n0.962727 0.496017 0.652406 O\n0.159953 0.159953 0.895120 O\n0.817482 0.817482 0.429864 O\n0.036548 0.470869 0.149591 O\n0.470869 0.036548 0.149591 O\n0.329270 0.329270 0.388295 O\n0.181508 0.650855 0.911891 O\n0.483953 0.483953 0.133313 O\n0.650855 0.181508 0.911891 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Ti",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O-Ti-V",
"density": 4.050552138802368,
"density_atomic": 0.09487793516115617,
"volume": 295.1160346443062,
"volume_molar": 6.347251075575173,
"formula_full": "Li4 Ti3 V2 Cu3 O16",
"formula_reduced": "Li4Ti3V2Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -207.58149,
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"updated_at": "2021-11-28T01:34:32.155000Z",
"spacegroup": 8
},
{
"id": "mp-778230",
"created_at": "2022-09-04T14:48:23.960309Z",
"structure_string": "Li4 V3 Cr3 Cu2 O16\n1.0\n5.838725 0.000000 0.000000\n-2.864662 5.094390 0.000000\n-0.105061 -0.580788 9.733093\nLi V Cr Cu O\n4 3 3 2 16\ndirect\n0.316824 0.656159 0.097583 Li\n0.017980 0.033396 0.004681 Li\n0.024223 0.015104 0.507421 Li\n0.646644 0.323817 0.605416 Li\n0.790640 0.641591 0.273224 V\n0.139908 0.814599 0.789449 V\n0.328305 0.117109 0.297223 V\n0.655860 0.848106 0.782537 Cr\n0.171340 0.344125 0.786974 Cr\n0.850310 0.179310 0.287042 Cr\n0.351042 0.662811 0.516527 Cu\n0.671552 0.333415 0.999259 Cu\n0.704706 0.842474 0.392154 O\n0.472694 0.514653 0.667161 O\n0.331166 0.693716 0.894413 O\n0.995309 0.991435 0.687836 O\n0.009660 0.985380 0.188570 O\n0.193594 0.322050 0.394799 O\n0.456206 0.956708 0.661005 O\n0.014597 0.518636 0.673824 O\n0.848567 0.175925 0.898338 O\n0.183209 0.843670 0.396518 O\n0.961625 0.478866 0.168471 O\n0.500220 0.017746 0.180039 O\n0.669067 0.345981 0.391724 O\n0.856532 0.703715 0.894379 O\n0.511836 0.479445 0.161943 O\n0.326678 0.160357 0.893648 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-Li-O-V",
"density": 4.127764352062652,
"density_atomic": 0.09671569305346371,
"volume": 289.5083426070453,
"volume_molar": 6.226642822764043,
"formula_full": "Li4 V3 Cr3 Cu2 O16",
"formula_reduced": "Li4V3Cr3(CuO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -209.9146512,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:39:11.727000Z",
"spacegroup": 1
},
{
"id": "mp-776458",
"created_at": "2022-09-04T14:48:27.270737Z",
"structure_string": "Li4 Mn3 Fe2 Sn3 O16\n1.0\n6.063674 0.003025 0.038637\n-3.029430 5.241001 0.022358\n0.060794 0.075767 9.715780\nLi Mn Fe Sn O\n4 3 2 3 16\ndirect\n0.345240 0.673016 0.884694 Li\n0.967576 0.982978 0.993155 Li\n0.977777 0.988602 0.502392 Li\n0.675245 0.338649 0.394596 Li\n0.662467 0.831796 0.218245 Mn\n0.830036 0.660869 0.715269 Mn\n0.831079 0.170726 0.715050 Mn\n0.338171 0.668907 0.499266 Fe\n0.682842 0.343975 0.988708 Fe\n0.172164 0.833255 0.213947 Sn\n0.171553 0.338884 0.213058 Sn\n0.338639 0.168994 0.714511 Sn\n0.148187 0.828359 0.601553 O\n0.035293 0.516376 0.343680 O\n0.345843 0.674366 0.095624 O\n0.992441 0.995539 0.318355 O\n0.977168 0.988040 0.808579 O\n0.148421 0.320419 0.601768 O\n0.494781 0.965440 0.337808 O\n0.495224 0.529888 0.336674 O\n0.319054 0.159580 0.088698 O\n0.672225 0.834087 0.610033 O\n0.534908 0.495118 0.834554 O\n0.536647 0.039747 0.834867 O\n0.689869 0.346137 0.607289 O\n0.828273 0.674249 0.103315 O\n0.960781 0.480283 0.829180 O\n0.828097 0.152023 0.102973 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Fe",
"Sn",
"O"
],
"chemical_system": "Fe-Li-Mn-O-Sn",
"density": 4.927424639651611,
"density_atomic": 0.09066700661928381,
"volume": 308.82237148926373,
"volume_molar": 6.642042110519131,
"formula_full": "Li4 Mn3 Fe2 Sn3 O16",
"formula_reduced": "Li4Mn3Fe2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -198.91759637,
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"updated_at": "2021-11-28T01:39:14.672000Z",
"spacegroup": 8
},
{
"id": "mp-781494",
"created_at": "2022-09-04T14:48:27.159063Z",
"structure_string": "Li4 Ti3 Mn3 Cu2 O16\n1.0\n2.913362 5.114963 0.000000\n-2.913362 5.114963 0.000000\n0.000000 0.003953 9.706298\nLi Ti Mn Cu O\n4 3 3 2 16\ndirect\n0.324020 0.324020 0.890628 Li\n0.012433 0.012433 0.996043 Li\n0.999254 0.999254 0.498285 Li\n0.669710 0.669710 0.393845 Li\n0.181261 0.671664 0.213216 Ti\n0.671664 0.181261 0.213216 Ti\n0.821033 0.821033 0.713128 Ti\n0.177745 0.177745 0.216566 Mn\n0.328290 0.820957 0.714735 Mn\n0.820957 0.328290 0.714735 Mn\n0.331318 0.331318 0.491249 Cu\n0.668140 0.668140 0.990100 Cu\n0.151389 0.672807 0.603754 O\n0.495631 0.495631 0.320316 O\n0.336609 0.336609 0.105576 O\n0.013782 0.013782 0.314835 O\n0.991997 0.991997 0.812307 O\n0.672807 0.151389 0.603754 O\n0.047120 0.485983 0.336374 O\n0.485983 0.047120 0.336374 O\n0.852763 0.852763 0.108924 O\n0.149395 0.149395 0.613705 O\n0.509743 0.950194 0.834768 O\n0.950194 0.509743 0.834768 O\n0.656746 0.656746 0.606947 O\n0.327868 0.852121 0.104798 O\n0.503256 0.503256 0.822915 O\n0.852121 0.327868 0.104798 O\n",
"nsites": 28,
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"elements": [
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"Ti",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O-Ti",
"density": 4.1287194078868925,
"density_atomic": 0.09679155501622518,
"volume": 289.2814357131297,
"volume_molar": 6.221762589711994,
"formula_full": "Li4 Ti3 Mn3 Cu2 O16",
"formula_reduced": "Li4Ti3Mn3(CuO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -210.91979031,
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"updated_at": "2021-11-28T01:39:40.829000Z",
"spacegroup": 8
},
{
"id": "mp-758553",
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{
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"formula_full": "Li4 Ti2 V3 Ni3 O16",
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{
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"structure_string": "Li4 Ti3 V3 Fe2 O16\n1.0\n5.909535 0.000000 0.000000\n-2.943956 5.162997 0.000000\n-0.050167 -0.033253 9.634471\nLi Ti V Fe O\n4 3 3 2 16\ndirect\n0.668065 0.337051 0.894345 Li\n0.997228 0.996479 0.994488 Li\n0.001992 0.004503 0.497047 Li\n0.332857 0.665245 0.393808 Li\n0.340854 0.173247 0.216459 Ti\n0.832849 0.173814 0.216511 Ti\n0.170116 0.341930 0.721617 Ti\n0.829933 0.660262 0.210519 V\n0.658971 0.832675 0.709336 V\n0.181351 0.836818 0.710572 V\n0.670890 0.337410 0.493151 Fe\n0.334170 0.669987 0.993062 Fe\n0.331751 0.163536 0.602553 O\n0.520100 0.037933 0.334921 O\n0.654615 0.311201 0.101653 O\n0.006042 0.010122 0.310638 O\n0.010529 0.006935 0.808701 O\n0.835144 0.164752 0.602434 O\n0.513632 0.473287 0.338557 O\n0.960932 0.472764 0.338141 O\n0.162800 0.327498 0.101961 O\n0.847990 0.679051 0.603666 O\n0.037882 0.517408 0.836869 O\n0.479266 0.519340 0.838107 O\n0.314042 0.648127 0.599387 O\n0.164732 0.837891 0.102271 O\n0.468554 0.962087 0.835598 O\n0.672411 0.838644 0.101470 O\n",
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{
"id": "mp-757062",
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"structure_string": "Li4 Nb3 V3 Sn2 O16\n1.0\n6.094791 0.024230 0.014677\n-3.026411 5.242357 -0.000024\n0.021427 0.012367 10.145500\nLi Nb V Sn O\n4 3 3 2 16\ndirect\n0.334591 0.667339 0.903477 Li\n0.007518 0.003760 0.990758 Li\n0.011018 0.005497 0.490970 Li\n0.672317 0.336147 0.390884 Li\n0.662733 0.831439 0.217195 Nb\n0.821303 0.640452 0.713471 Nb\n0.821297 0.180873 0.713477 Nb\n0.171601 0.820489 0.212759 V\n0.171598 0.351105 0.212786 V\n0.348779 0.174402 0.713232 V\n0.323841 0.661909 0.490100 Sn\n0.648880 0.324506 0.996379 Sn\n0.154359 0.831818 0.598932 O\n0.039882 0.519826 0.344402 O\n0.355064 0.677413 0.100059 O\n0.998046 0.999073 0.307469 O\n0.996053 0.998034 0.806742 O\n0.154346 0.322520 0.598922 O\n0.492891 0.966423 0.340996 O\n0.492935 0.526522 0.340956 O\n0.312808 0.156470 0.098146 O\n0.669213 0.834608 0.596911 O\n0.525994 0.495841 0.843989 O\n0.526004 0.030226 0.844017 O\n0.664727 0.332384 0.585432 O\n0.827041 0.670639 0.102119 O\n0.968121 0.484077 0.851116 O\n0.827040 0.156508 0.102146 O\n",
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]
}