HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=115",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=113",
"results": [
{
"id": "mp-776449",
"created_at": "2022-09-04T14:43:41.766889Z",
"structure_string": "Li4 Mn2 V2 P4 O16 F4\n1.0\n6.912302 0.000000 0.000000\n3.387329 6.606169 0.000000\n0.226927 0.336928 7.970900\nLi Mn V P O F\n4 2 2 4 16 4\ndirect\n0.744068 0.812285 0.825920 Li\n0.246222 0.811755 0.325457 Li\n0.753778 0.188245 0.674543 Li\n0.255932 0.187715 0.174080 Li\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.281872 0.238715 0.837389 P\n0.781172 0.235587 0.340254 P\n0.218828 0.764413 0.659746 P\n0.718128 0.761285 0.162611 P\n0.407791 0.612491 0.767174 O\n0.278069 0.918477 0.558841 O\n0.221233 0.087190 0.939512 O\n0.328958 0.345610 0.982145 O\n0.092244 0.388526 0.728110 O\n0.837913 0.338430 0.482563 O\n0.010433 0.888109 0.767809 O\n0.508289 0.883621 0.267758 O\n0.491711 0.116379 0.732242 O\n0.989567 0.111891 0.232191 O\n0.162087 0.661570 0.517437 O\n0.907756 0.611474 0.271890 O\n0.671042 0.654390 0.017855 O\n0.778767 0.912810 0.060488 O\n0.721931 0.081523 0.441159 O\n0.592209 0.387509 0.232826 O\n0.765797 0.262139 0.899673 F\n0.729728 0.737034 0.609417 F\n0.270272 0.262966 0.390583 F\n0.234203 0.737861 0.100327 F\n",
"nsites": 32,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P-V",
"density": 3.1725274054901806,
"density_atomic": 0.08791646829595917,
"volume": 363.98186392424486,
"volume_molar": 6.849843808246776,
"formula_full": "Li4 Mn2 V2 P4 O16 F4",
"formula_reduced": "Li2MnVP2(O4F)2",
"formula_anonymous": "ABC2D2E2F8",
"energy": -239.99276725,
"energy_per_atom": -7.4997739765625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.41676725,
"band_gap": 0.2445999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.051000Z",
"spacegroup": 2
},
{
"id": "mp-776480",
"created_at": "2022-09-04T14:42:28.349920Z",
"structure_string": "Li4 Mn2 V2 P4 O16 F4\n1.0\n5.312183 0.000000 0.000000\n-2.559165 7.132228 0.000000\n-1.335774 -3.390052 9.877471\nLi Mn V P O F\n4 2 2 4 16 4\ndirect\n0.537459 0.620958 0.809765 Li\n0.034342 0.116917 0.306845 Li\n0.965658 0.883083 0.693155 Li\n0.462541 0.379042 0.190235 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.502018 0.052934 0.820927 P\n0.003306 0.558991 0.321617 P\n0.996694 0.441009 0.678383 P\n0.497982 0.947066 0.179073 P\n0.700674 0.944359 0.830895 O\n0.203400 0.450470 0.331768 O\n0.656544 0.280778 0.897300 O\n0.368329 0.013083 0.670833 O\n0.142104 0.782150 0.392844 O\n0.874807 0.512535 0.166358 O\n0.249075 0.967198 0.875363 O\n0.744904 0.465374 0.372431 O\n0.255096 0.534626 0.627569 O\n0.750925 0.032802 0.124637 O\n0.125193 0.487465 0.833642 O\n0.857896 0.217850 0.607156 O\n0.631671 0.986917 0.329167 O\n0.343456 0.719222 0.102700 O\n0.796600 0.549530 0.668232 O\n0.299326 0.055641 0.169105 O\n0.832546 0.677592 0.963000 F\n0.331997 0.212183 0.461791 F\n0.668003 0.787817 0.538209 F\n0.167454 0.322408 0.037000 F\n",
"nsites": 32,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P-V",
"density": 3.085610601595166,
"density_atomic": 0.08550784657032856,
"volume": 374.2346613030491,
"volume_molar": 7.042793148868397,
"formula_full": "Li4 Mn2 V2 P4 O16 F4",
"formula_reduced": "Li2MnVP2(O4F)2",
"formula_anonymous": "ABC2D2E2F8",
"energy": -239.99620262,
"energy_per_atom": -7.499881331875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.42020262,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0002821,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.969000Z",
"spacegroup": 2
},
{
"id": "mp-890597",
"created_at": "2022-09-04T14:47:12.402212Z",
"structure_string": "Li4 Mn2 V2 P4 O16 F4\n1.0\n10.430112 0.000000 0.000000\n-0.701628 5.306029 0.000000\n-2.028244 -2.718284 6.665854\nLi Mn V P O F\n4 2 2 4 16 4\ndirect\n0.813216 0.041080 0.429541 Li\n0.810567 0.539866 0.427890 Li\n0.187571 0.459932 0.573723 Li\n0.188232 0.958035 0.569788 Li\n0.999348 0.498884 0.001084 Mn\n0.500259 0.748577 0.499847 Mn\n0.002609 0.002075 0.000519 V\n0.498381 0.250405 0.497687 V\n0.761522 0.221361 0.118549 P\n0.235406 0.279202 0.878054 P\n0.762815 0.722456 0.119422 P\n0.240312 0.777629 0.882277 P\n0.913622 0.142526 0.161504 O\n0.612911 0.182099 0.825543 O\n0.656759 0.177464 0.315620 O\n0.115002 0.120925 0.780153 O\n0.882545 0.379830 0.217682 O\n0.340273 0.323303 0.682299 O\n0.383218 0.318062 0.171420 O\n0.081126 0.357350 0.834236 O\n0.911684 0.639855 0.160114 O\n0.614028 0.683562 0.825629 O\n0.660962 0.679600 0.321244 O\n0.114733 0.619670 0.782876 O\n0.888496 0.879798 0.218376 O\n0.342999 0.821778 0.681566 O\n0.388654 0.816476 0.177280 O\n0.092317 0.859671 0.844195 O\n0.263615 0.068372 0.337271 F\n0.725023 0.430462 0.649918 F\n0.264664 0.560116 0.342363 F\n0.747132 0.939582 0.672330 F\n",
"nsites": 32,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P-V",
"density": 3.1301902803742454,
"density_atomic": 0.08674323004069434,
"volume": 368.9048699822183,
"volume_molar": 6.942490794007554,
"formula_full": "Li4 Mn2 V2 P4 O16 F4",
"formula_reduced": "Li2MnVP2(O4F)2",
"formula_anonymous": "ABC2D2E2F8",
"energy": -123.92872813,
"energy_per_atom": -3.8727727540625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.76872813,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.1801041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.761000Z",
"spacegroup": 1
},
{
"id": "mp-1391284",
"created_at": "2022-09-04T14:39:59.754748Z",
"structure_string": "Li1 Mn1 V1 P2 O8 F2\n1.0\n5.191618 0.000000 0.000000\n-0.641887 5.230456 0.000000\n-1.884251 -2.639386 6.630731\nLi Mn V P O F\n1 1 1 2 8 2\ndirect\n0.921345 0.389686 0.177115 Li\n0.506292 0.996346 0.504202 Mn\n0.999041 0.004332 0.993137 V\n0.440629 0.358328 0.759292 P\n0.555079 0.643782 0.241363 P\n0.274383 0.225128 0.911418 O\n0.360581 0.220404 0.603195 O\n0.365085 0.663543 0.664559 O\n0.241977 0.669175 0.131577 O\n0.747627 0.315063 0.891877 O\n0.643901 0.337038 0.335823 O\n0.646929 0.790727 0.391527 O\n0.719485 0.760969 0.086728 O\n0.117448 0.067960 0.245821 F\n0.879254 0.941414 0.750950 F\n",
"nsites": 15,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P-V",
"density": 3.1426362160814794,
"density_atomic": 0.08330816470374859,
"volume": 180.05438066414456,
"volume_molar": 7.2287521654273394,
"formula_full": "Li1 Mn1 V1 P2 O8 F2",
"formula_reduced": "LiMnVP2(O4F)2",
"formula_anonymous": "ABCD2E2F8",
"energy": -66.44440912,
"energy_per_atom": -4.429627274666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.65640912,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2471967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.457000Z",
"spacegroup": 1
},
{
"id": "mp-776477",
"created_at": "2022-09-04T14:41:28.727453Z",
"structure_string": "Li6 Mn3 V3 P6 O24 F6\n1.0\n5.238439 0.000000 0.000000\n1.746099 10.204286 0.000000\n1.128360 1.890451 10.292538\nLi Mn V P O F\n6 3 3 6 24 6\ndirect\n0.661435 0.749407 0.565315 Li\n0.338565 0.250593 0.434685 Li\n0.997995 0.578236 0.765819 Li\n0.331900 0.085928 0.898062 Li\n0.002005 0.421764 0.234181 Li\n0.668100 0.914072 0.101938 Li\n0.165012 0.833001 0.334758 Mn\n0.000000 0.500000 0.500000 Mn\n0.834988 0.166999 0.665242 Mn\n0.662613 0.832057 0.834577 V\n0.500000 0.500000 0.000000 V\n0.337387 0.167943 0.165423 V\n0.479308 0.460166 0.697441 P\n0.520692 0.539834 0.302559 P\n0.148774 0.795486 0.034713 P\n0.177736 0.870940 0.634333 P\n0.822264 0.129060 0.365667 P\n0.851226 0.204514 0.965287 P\n0.403353 0.806682 0.721619 O\n0.643462 0.510310 0.168097 O\n0.547797 0.309890 0.697911 O\n0.452203 0.690110 0.302089 O\n0.596647 0.193318 0.278381 O\n0.611084 0.131439 0.012958 O\n0.255281 0.527077 0.607590 O\n0.283429 0.464508 0.346070 O\n0.356538 0.489690 0.831903 O\n0.215791 0.645019 0.036234 O\n0.302465 0.839984 0.499607 O\n0.938269 0.797030 0.681472 O\n0.388916 0.868561 0.987042 O\n0.027272 0.827138 0.169398 O\n0.112055 0.021462 0.633456 O\n0.972728 0.172862 0.830602 O\n0.061731 0.202970 0.318528 O\n0.077132 0.142194 0.052575 O\n0.716571 0.535492 0.653930 O\n0.744719 0.472923 0.392410 O\n0.887945 0.978538 0.366544 O\n0.784209 0.354981 0.963766 O\n0.697535 0.160016 0.500393 O\n0.922868 0.857806 0.947425 O\n0.591763 0.026397 0.772576 F\n0.408237 0.973603 0.227424 F\n0.267644 0.365932 0.103762 F\n0.077230 0.302666 0.561801 F\n0.922770 0.697334 0.438199 F\n0.732356 0.634068 0.896238 F\n",
"nsites": 48,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P-V",
"density": 3.148251316831835,
"density_atomic": 0.08724373400367605,
"volume": 550.182778719415,
"volume_molar": 6.902662785783853,
"formula_full": "Li6 Mn3 V3 P6 O24 F6",
"formula_reduced": "Li2MnVP2(O4F)2",
"formula_anonymous": "ABC2D2E2F8",
"energy": -360.10418487,
"energy_per_atom": -7.502170518124999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -330.74018487,
"band_gap": 0.4934,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0001355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.831000Z",
"spacegroup": 2
},
{
"id": "mp-849423",
"created_at": "2022-09-04T14:45:18.591974Z",
"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.460984 0.000000 0.000000\n-2.658195 6.953998 0.000000\n-0.314774 -1.643651 14.460060\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.261638 0.865308 0.693767 Li\n0.067600 0.466780 0.641690 Li\n0.404095 0.796963 0.974079 Li\n0.601055 0.203476 0.024834 Li\n0.931527 0.532679 0.359394 Li\n0.735184 0.133429 0.306887 Li\n0.335511 0.335410 0.834783 Mn\n0.333172 0.333643 0.333378 Mn\n0.668108 0.667989 0.666369 Mn\n0.662393 0.663872 0.165850 V\n0.999909 0.000073 0.500150 V\n0.000601 0.999090 0.999215 V\n0.013518 0.379997 0.148538 P\n0.311291 0.951779 0.184408 P\n0.349363 0.715660 0.481840 P\n0.651049 0.284967 0.517981 P\n0.683393 0.047549 0.814134 P\n0.988613 0.619174 0.852580 P\n0.052894 0.989748 0.326632 H\n0.284656 0.347029 0.007946 H\n0.388273 0.325418 0.658687 H\n0.615034 0.677060 0.341030 H\n0.715175 0.652559 0.991778 H\n0.946406 0.010313 0.674506 H\n0.090749 0.830371 0.901104 O\n0.039048 0.837759 0.218548 O\n0.141079 0.798436 0.448661 O\n0.204641 0.540732 0.884585 O\n0.296479 0.955815 0.077338 O\n0.020185 0.375369 0.254214 O\n0.355595 0.712741 0.587526 O\n0.248038 0.504903 0.432629 O\n0.050931 0.100489 0.370264 O\n0.287770 0.494471 0.115074 O\n0.285756 0.237866 0.962917 O\n0.577552 0.836194 0.765860 O\n0.522428 0.869485 0.213978 O\n0.388019 0.435372 0.703447 O\n0.624956 0.828583 0.448379 O\n0.375483 0.171368 0.551113 O\n0.615100 0.566486 0.296775 O\n0.464991 0.126592 0.787286 O\n0.416253 0.162450 0.232876 O\n0.719514 0.762073 0.037780 O\n0.720604 0.507378 0.889014 O\n0.948589 0.899979 0.630095 O\n0.752196 0.495603 0.567044 O\n0.644925 0.288374 0.412070 O\n0.977908 0.623256 0.746885 O\n0.704813 0.042371 0.921300 O\n0.803744 0.461654 0.115917 O\n0.858983 0.201935 0.550973 O\n0.949379 0.161043 0.777354 O\n0.913839 0.170887 0.098544 O\n",
"nsites": 54,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.118159071755183,
"density_atomic": 0.09833728174121079,
"volume": 549.1304929712115,
"volume_molar": 6.1239650449644945,
"formula_full": "Li6 Mn3 V3 P6 H6 O30",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -397.47439363,
"energy_per_atom": -7.360636919074074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -366.76039363,
"band_gap": 0.5207999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.769000Z",
"spacegroup": 1
},
{
"id": "mp-778728",
"created_at": "2022-09-04T14:42:10.752887Z",
"structure_string": "Li4 Mn2 V2 P4 H4 O20\n1.0\n5.177231 0.000000 0.000000\n-1.954790 7.151113 0.000000\n-1.365311 -2.663756 9.853105\nLi Mn V P H O\n4 2 2 4 4 20\ndirect\n0.360722 0.105068 0.288792 Li\n0.130630 0.387637 0.215279 Li\n0.868783 0.616779 0.780910 Li\n0.643013 0.894055 0.715451 Li\n0.749865 0.748402 0.251033 Mn\n0.504372 0.502268 0.501395 Mn\n0.993634 0.997154 0.999875 V\n0.250643 0.250843 0.747789 V\n0.612626 0.294605 0.062537 P\n0.877548 0.200170 0.434273 P\n0.133262 0.801541 0.568043 P\n0.373766 0.702613 0.934249 P\n0.154482 0.792358 0.138123 H\n0.347352 0.703867 0.365592 H\n0.662511 0.302320 0.636033 H\n0.839149 0.201299 0.860974 H\n0.786267 0.159994 0.089178 O\n0.337573 0.225450 0.109682 O\n0.411466 0.703597 0.084527 O\n0.794949 0.495356 0.154976 O\n0.038894 0.879572 0.161991 O\n0.143609 0.262954 0.381923 O\n0.701409 0.337077 0.410223 O\n0.458605 0.613523 0.340384 O\n0.318702 0.004721 0.657654 O\n0.089112 0.794695 0.416367 O\n0.932879 0.207713 0.587097 O\n0.689771 0.998078 0.345495 O\n0.554510 0.392983 0.660242 O\n0.305449 0.663290 0.596281 O\n0.862874 0.742006 0.618033 O\n0.954430 0.115786 0.839841 O\n0.197245 0.501355 0.839771 O\n0.565109 0.291863 0.910713 O\n0.653549 0.771487 0.890055 O\n0.201237 0.837521 0.905220 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.1292356818251785,
"density_atomic": 0.0986866044345452,
"volume": 364.79115079774914,
"volume_molar": 6.102287939184532,
"formula_full": "Li4 Mn2 V2 P4 H4 O20",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -264.89972699,
"energy_per_atom": -7.358325749722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -244.42372699,
"band_gap": 0.4662999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.751000Z",
"spacegroup": 1
},
{
"id": "mp-754810",
"created_at": "2022-09-04T14:42:28.771895Z",
"structure_string": "Li2 Mn1 V1 P2 H2 O10\n1.0\n5.501967 -0.048545 -0.133190\n-2.159870 7.007774 0.124176\n-0.765502 -1.863735 4.752667\nLi Mn V P H O\n2 1 1 2 2 10\ndirect\n0.388208 0.825304 0.743389 Li\n0.611941 0.174716 0.256564 Li\n0.999986 0.500172 0.000438 Mn\n0.000005 0.999949 0.000029 V\n0.367056 0.233994 0.672323 P\n0.632697 0.765942 0.327614 P\n0.074581 0.345320 0.357796 H\n0.925604 0.654704 0.642154 H\n0.041300 0.719888 0.841032 O\n0.222428 0.383888 0.710430 O\n0.333379 0.662828 0.304707 O\n0.258587 0.072375 0.367138 O\n0.337925 0.115716 0.881742 O\n0.662164 0.884223 0.118349 O\n0.741549 0.927604 0.632655 O\n0.666339 0.337045 0.694953 O\n0.777621 0.616271 0.289648 O\n0.958628 0.280060 0.159040 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.1227331460684864,
"density_atomic": 0.09848153417481077,
"volume": 182.7753817080966,
"volume_molar": 6.114994867271594,
"formula_full": "Li2 Mn1 V1 P2 H2 O10",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -132.4968321,
"energy_per_atom": -7.360935116666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.2588321,
"band_gap": 1.0425,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9998905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.758000Z",
"spacegroup": 2
},
{
"id": "mp-1177882",
"created_at": "2022-09-04T14:40:07.668041Z",
"structure_string": "Li4 Mn2 V2 P4 H4 O20\n1.0\n6.955908 0.000000 0.000000\n-0.102287 7.495717 0.000000\n-0.216182 -3.553798 7.010271\nLi Mn V P H O\n4 2 2 4 4 20\ndirect\n0.161349 0.584701 0.762741 Li\n0.340583 0.914079 0.739938 Li\n0.658739 0.088871 0.261255 Li\n0.838227 0.413136 0.235132 Li\n0.251165 0.749673 0.249449 Mn\n0.501728 0.499971 0.500979 Mn\n0.999175 0.999997 0.000819 V\n0.748497 0.251270 0.750746 V\n0.590800 0.726625 0.961321 P\n0.097481 0.227380 0.458758 P\n0.907133 0.775459 0.540693 P\n0.404966 0.271443 0.039836 P\n0.042678 0.320563 0.980768 H\n0.545241 0.813277 0.483299 H\n0.455942 0.184822 0.517438 H\n0.956074 0.679275 0.017375 H\n0.054328 0.837519 0.712555 O\n0.012426 0.692837 0.347660 O\n0.439741 0.669757 0.796159 O\n0.717540 0.906815 0.981363 O\n0.076216 0.756317 0.026538 O\n0.221198 0.409139 0.477129 O\n0.424687 0.736461 0.474890 O\n0.720935 0.549416 0.931546 O\n0.504047 0.188324 0.843219 O\n0.776088 0.950811 0.567897 O\n0.227481 0.053047 0.434138 O\n0.491200 0.810131 0.158634 O\n0.275589 0.447488 0.067241 O\n0.577857 0.261424 0.527918 O\n0.782419 0.592757 0.518805 O\n0.921280 0.243178 0.968529 O\n0.278690 0.091854 0.022631 O\n0.558090 0.329185 0.204674 O\n0.992530 0.309284 0.650965 O\n0.947880 0.163714 0.286964 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.1230630384552462,
"density_atomic": 0.09849193798033658,
"volume": 365.51214991004866,
"volume_molar": 6.114348934023707,
"formula_full": "Li4 Mn2 V2 P4 H4 O20",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -264.86636256,
"energy_per_atom": -7.357398960000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -244.39036256,
"band_gap": 0.5952000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.625000Z",
"spacegroup": 1
},
{
"id": "mp-753729",
"created_at": "2022-09-04T14:42:01.683770Z",
"structure_string": "Li1 Mn1 V1 P2 H2 O10\n1.0\n5.338519 0.034382 -0.131756\n-1.849747 7.145131 -0.033326\n-0.840867 -2.094574 4.771573\nLi Mn V P H O\n1 1 1 2 2 10\ndirect\n0.582747 0.144965 0.211404 Li\n0.992305 0.996233 0.999498 Mn\n0.002602 0.504559 0.001383 V\n0.350171 0.231879 0.678370 P\n0.649584 0.772666 0.330002 P\n0.050134 0.342866 0.350720 H\n0.989345 0.667842 0.655940 H\n0.034069 0.721125 0.864700 O\n0.171903 0.373674 0.707261 O\n0.350215 0.634701 0.264767 O\n0.257595 0.077094 0.362504 O\n0.336293 0.130605 0.883305 O\n0.661639 0.889656 0.143091 O\n0.744776 0.924368 0.642753 O\n0.650716 0.355947 0.723293 O\n0.827368 0.630334 0.286092 O\n0.946704 0.276958 0.145966 O\n",
"nsites": 17,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.0958667960037323,
"density_atomic": 0.09411057837554218,
"volume": 180.63856681618296,
"volume_molar": 6.3990051532454055,
"formula_full": "Li1 Mn1 V1 P2 H2 O10",
"formula_reduced": "LiMnVP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -126.905131,
"energy_per_atom": -7.4650077058823525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.667131,
"band_gap": 1.0341000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0020695,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.261000Z",
"spacegroup": 1
},
{
"id": "mp-776506",
"created_at": "2022-09-04T14:40:52.996485Z",
"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.433818 0.000000 0.000000\n-2.020538 7.114042 0.000000\n-1.086446 -1.308714 14.345005\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.856481 0.417012 0.248160 Li\n0.817811 0.248372 0.415864 Li\n0.518862 0.094662 0.915732 Li\n0.481138 0.905338 0.084268 Li\n0.182189 0.751628 0.584136 Li\n0.143519 0.582988 0.751840 Li\n0.000000 0.500000 0.000000 Mn\n0.663126 0.667085 0.667234 Mn\n0.336874 0.332915 0.332766 Mn\n0.000000 0.000000 0.000000 V\n0.664373 0.168358 0.667698 V\n0.335627 0.831642 0.332302 V\n0.806012 0.671271 0.438266 P\n0.864850 0.995139 0.226396 P\n0.475559 0.340086 0.107831 P\n0.524441 0.659914 0.892169 P\n0.135150 0.004861 0.773604 P\n0.193988 0.328729 0.561734 P\n0.944711 0.220007 0.881548 H\n0.718183 0.442675 0.786573 H\n0.386816 0.104834 0.450467 H\n0.613184 0.895166 0.549533 H\n0.281817 0.557325 0.213427 H\n0.055289 0.779993 0.118452 H\n0.867000 0.043900 0.123708 O\n0.944788 0.177326 0.293678 O\n0.951527 0.130808 0.756213 O\n0.908538 0.215218 0.569614 O\n0.901319 0.221287 0.947155 O\n0.767677 0.434772 0.098767 O\n0.728370 0.489515 0.370153 O\n0.803569 0.623118 0.540419 O\n0.767433 0.440990 0.721167 O\n0.374463 0.158526 0.036602 O\n0.475561 0.277716 0.207832 O\n0.440935 0.106215 0.386540 O\n0.686805 0.521131 0.904307 O\n0.620074 0.795559 0.419951 O\n0.421679 0.115996 0.766933 O\n0.578321 0.884004 0.233067 O\n0.379926 0.204441 0.580049 O\n0.313195 0.478869 0.095693 O\n0.559065 0.893785 0.613460 O\n0.524439 0.722284 0.792168 O\n0.625537 0.841474 0.963398 O\n0.232567 0.559010 0.278833 O\n0.196431 0.376882 0.459581 O\n0.271630 0.510485 0.629847 O\n0.232323 0.565228 0.901233 O\n0.098681 0.778713 0.052845 O\n0.091462 0.784782 0.430386 O\n0.048473 0.869192 0.243787 O\n0.055212 0.822674 0.706322 O\n0.133000 0.956100 0.876292 O\n",
"nsites": 54,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.0878174021541787,
"density_atomic": 0.09738039748887109,
"volume": 554.5263871629942,
"volume_molar": 6.1841406641292735,
"formula_full": "Li6 Mn3 V3 P6 H6 O30",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -397.04156932,
"energy_per_atom": -7.352621654074074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -366.32756932,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 17.9999117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.256000Z",
"spacegroup": 2
},
{
"id": "mp-1176607",
"created_at": "2022-09-04T14:46:25.326736Z",
"structure_string": "Li2 Mn2 V2 P4 H4 O20\n1.0\n5.222490 0.000000 0.000000\n-2.566875 6.927755 0.000000\n-0.840082 -3.396722 9.910051\nLi Mn V P H O\n2 2 2 4 4 20\ndirect\n0.568762 0.644402 0.795008 Li\n0.431238 0.355598 0.204992 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.494662 0.046275 0.821091 P\n0.995964 0.445754 0.678916 P\n0.004036 0.554246 0.321084 P\n0.505338 0.953725 0.178909 P\n0.328361 0.317131 0.968786 H\n0.167645 0.183166 0.517839 H\n0.832355 0.816834 0.482161 H\n0.671639 0.682869 0.031214 H\n0.821240 0.692579 0.977408 O\n0.633059 0.281010 0.903421 O\n0.119709 0.478152 0.829285 O\n0.238217 0.949248 0.878820 O\n0.696693 0.940589 0.830421 O\n0.779732 0.539502 0.675937 O\n0.256965 0.555662 0.627538 O\n0.392361 0.022207 0.671644 O\n0.876575 0.214189 0.594789 O\n0.346733 0.207783 0.485395 O\n0.653267 0.792217 0.514605 O\n0.123425 0.785811 0.405211 O\n0.607639 0.977793 0.328356 O\n0.743035 0.444338 0.372462 O\n0.220268 0.460498 0.324063 O\n0.303307 0.059411 0.169579 O\n0.761783 0.050752 0.121180 O\n0.880291 0.521848 0.170715 O\n0.366941 0.718990 0.096579 O\n0.178760 0.307421 0.022592 O\n",
"nsites": 34,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.119440553813526,
"density_atomic": 0.09482719188902682,
"volume": 358.54694547729616,
"volume_molar": 6.350647572742126,
"formula_full": "Li2 Mn2 V2 P4 H4 O20",
"formula_reduced": "LiMnVP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -253.66693439,
"energy_per_atom": -7.460792187941176,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -233.19093439,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.000029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.336000Z",
"spacegroup": 2
}
]
}