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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11465",
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"results": [
{
"id": "mp-1648338",
"created_at": "2022-09-04T14:46:55.780212Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.037398 -0.144641 -0.323097\n-2.212823 4.450159 -0.213180\n-0.228510 -0.119103 9.818993\nLi Mn Co O\n7 2 3 12\ndirect\n0.830472 0.164883 0.499574 Li\n0.091298 0.430756 0.276083 Li\n0.571250 0.909183 0.724838 Li\n0.453206 0.104377 0.275137 Li\n0.901786 0.558025 0.728433 Li\n0.747767 0.756480 0.266800 Li\n0.234194 0.241565 0.729820 Li\n0.000301 0.000268 0.000332 Mn\n0.661783 0.335817 0.999593 Mn\n0.333639 0.665842 0.999825 Co\n0.517843 0.499506 0.502557 Co\n0.156644 0.829093 0.497506 Co\n0.686069 0.019183 0.104562 O\n0.973783 0.316999 0.895490 O\n0.216056 0.575215 0.613236 O\n0.439415 0.770077 0.387012 O\n0.022622 0.680312 0.102365 O\n0.396282 0.387383 0.112186 O\n0.313150 0.983042 0.896572 O\n0.604475 0.612769 0.887645 O\n0.534147 0.224824 0.621952 O\n0.884241 0.864202 0.615440 O\n0.792956 0.469028 0.379843 O\n0.136623 0.101171 0.383201 O\n",
"nsites": 24,
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"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.045446292433537,
"density_atomic": 0.11089385623608271,
"volume": 216.4231709005252,
"volume_molar": 5.430544995368745,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.84410812,
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"band_gap": 0.4917999999999995,
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"updated_at": "2021-11-28T01:37:47.959000Z",
"spacegroup": 1
},
{
"id": "mp-541152",
"created_at": "2022-09-04T14:46:55.788606Z",
"structure_string": "Al4 Si4 H8 O18\n1.0\n-5.212979 0.000000 0.000000\n1.932443 7.224809 0.000000\n-0.042961 -0.280717 -9.047093\nAl Si H O\n4 4 8 18\ndirect\n0.640626 0.542793 0.507074 Al\n0.644443 0.541737 0.171261 Al\n0.137107 0.539777 0.007387 Al\n0.147963 0.545653 0.671339 Al\n0.941006 0.927865 0.662782 Si\n0.927750 0.924554 0.334130 Si\n0.441988 0.925202 0.162416 Si\n0.426236 0.925747 0.834223 Si\n0.795172 0.690050 0.939553 H\n0.879551 0.288017 0.828495 H\n0.899274 0.292746 0.496214 H\n0.888179 0.286318 0.183312 H\n0.304397 0.704687 0.442197 H\n0.383415 0.285907 0.332418 H\n0.386236 0.285145 0.001776 H\n0.394939 0.292721 0.686071 H\n0.889713 0.704860 0.647967 O\n0.815487 0.701836 0.338169 O\n0.939496 0.020754 0.500746 O\n0.727621 0.997841 0.768556 O\n0.736700 0.018950 0.235595 O\n0.387339 0.701986 0.147585 O\n0.316423 0.702880 0.838783 O\n0.437666 0.019998 0.001606 O\n0.230430 0.994644 0.269970 O\n0.234210 0.021472 0.737634 O\n0.887303 0.690138 0.032961 O\n0.983860 0.415890 0.834314 O\n0.903165 0.417865 0.530146 O\n0.895966 0.405907 0.142089 O\n0.393546 0.695531 0.534790 O\n0.483704 0.414782 0.335950 O\n0.397614 0.413162 0.030877 O\n0.400473 0.410581 0.642613 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-O-Si",
"density": 2.516212877358002,
"density_atomic": 0.09978322049874029,
"volume": 340.7386515494279,
"volume_molar": 6.035223888244844,
"formula_full": "Al4 Si4 H8 O18",
"formula_reduced": "Al2Si2H4O9",
"formula_anonymous": "A2B2C4D9",
"energy": -241.67176268,
"energy_per_atom": -7.10799302,
"energy_above_hull": null,
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"energy_uncorrected": -229.30576268,
"band_gap": 5.161,
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"total_magnetization": 0.0001858,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.313000Z",
"spacegroup": 1
},
{
"id": "mp-1234555",
"created_at": "2022-09-04T14:46:55.835752Z",
"structure_string": "Mg1 V6 O5 F19\n1.0\n5.467205 -0.090962 -0.003306\n-0.086693 5.271479 0.009304\n-2.686011 0.069780 15.233464\nMg V O F\n1 6 5 19\ndirect\n0.692421 0.979014 0.566942 Mg\n0.051331 0.962230 0.006140 V\n0.129024 0.475595 0.328718 V\n0.302347 0.048205 0.668783 V\n0.538159 0.453620 0.994865 V\n0.651569 0.991920 0.326530 V\n0.833033 0.483249 0.674222 V\n0.008502 0.192490 0.637279 O\n0.540630 0.271513 0.643299 O\n0.701607 0.224897 0.969880 O\n0.295596 0.794933 0.030856 O\n0.881675 0.279709 0.308208 O\n0.214381 0.275508 0.972752 F\n0.142427 0.713310 0.690562 F\n0.027344 0.106479 0.107549 F\n0.212656 0.426657 0.444058 F\n0.359366 0.097644 0.782944 F\n0.139757 0.597345 0.222267 F\n0.322415 0.905169 0.557740 F\n0.452000 0.615276 0.893717 F\n0.365010 0.225356 0.310725 F\n0.451656 0.719380 0.359199 F\n0.652160 0.796270 0.688808 F\n0.536712 0.407538 0.108475 F\n0.716559 0.084328 0.449122 F\n0.888895 0.412377 0.786832 F\n0.601767 0.917389 0.213631 F\n0.797835 0.625555 0.558327 F\n0.951056 0.903879 0.892752 F\n0.805824 0.705491 0.029218 F\n0.950571 0.770173 0.351497 F\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Mg",
"V",
"O",
"F"
],
"chemical_system": "F-Mg-O-V",
"density": 2.9169479767742494,
"density_atomic": 0.07063689408723009,
"volume": 438.8641431730823,
"volume_molar": 8.525489176468048,
"formula_full": "Mg1 V6 O5 F19",
"formula_reduced": "MgV6O5F19",
"formula_anonymous": "AB5C6D19",
"energy": -204.9540184,
"energy_per_atom": -6.611419948387097,
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"is_magnetic": true,
"total_magnetization": 2.9999995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.590000Z",
"spacegroup": 1
},
{
"id": "mp-1047560",
"created_at": "2022-09-04T14:46:55.903961Z",
"structure_string": "Al2 Fe2 W4 O16\n1.0\n4.518743 -0.178228 -2.362361\n3.112227 5.615831 2.066744\n4.970062 -5.199117 5.383938\nAl Fe W O\n2 2 4 16\ndirect\n0.590088 0.353779 0.692413 Al\n0.590047 0.853718 0.192417 Al\n0.014943 0.158250 0.942219 Fe\n0.014774 0.657944 0.442318 Fe\n0.275655 0.500148 0.089562 W\n0.275755 0.000194 0.589529 W\n0.746269 0.829461 0.780207 W\n0.746176 0.329351 0.280212 W\n0.353512 0.761094 0.105508 O\n0.353524 0.261195 0.605498 O\n0.300557 0.411011 0.887249 O\n0.300566 0.911008 0.387256 O\n0.361639 0.479146 0.314372 O\n0.361761 0.979280 0.814345 O\n0.127987 0.245138 0.160541 O\n0.128088 0.745220 0.660563 O\n0.785365 0.892308 0.978789 O\n0.785406 0.392319 0.478771 O\n0.703206 0.569124 0.770431 O\n0.703222 0.069011 0.270481 O\n0.683271 0.359559 0.062264 O\n0.683433 0.859731 0.562225 O\n0.857241 0.628251 0.225206 O\n0.857323 0.128354 0.725227 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Al",
"Fe",
"W",
"O"
],
"chemical_system": "Al-Fe-O-W",
"density": 6.613662861639295,
"density_atomic": 0.08261702127732916,
"volume": 290.49703836981365,
"volume_molar": 7.289225230942246,
"formula_full": "Al2 Fe2 W4 O16",
"formula_reduced": "AlFe(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -208.84472181,
"energy_per_atom": -8.70186340875,
"energy_above_hull": null,
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"energy_uncorrected": -175.58872181,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.212000Z",
"spacegroup": 1
},
{
"id": "mp-760227",
"created_at": "2022-09-04T14:46:55.925736Z",
"structure_string": "Li4 Fe8 B8 O24\n1.0\n5.209820 0.000000 0.000000\n0.056762 9.088475 0.000000\n0.166749 0.199477 10.213322\nLi Fe B O\n4 8 8 24\ndirect\n0.147021 0.172936 0.662481 Li\n0.185265 0.165445 0.166049 Li\n0.327001 0.333205 0.408235 Li\n0.334129 0.323576 0.916303 Li\n0.162662 0.829791 0.631784 Fe\n0.183669 0.508637 0.131671 Fe\n0.316425 0.988016 0.879714 Fe\n0.335550 0.671181 0.374477 Fe\n0.660079 0.349505 0.628269 Fe\n0.670268 0.995840 0.126561 Fe\n0.830070 0.150079 0.386286 Fe\n0.834552 0.504254 0.880201 Fe\n0.154722 0.499203 0.622598 B\n0.161849 0.839246 0.134651 B\n0.343049 0.998065 0.376511 B\n0.338715 0.659056 0.871641 B\n0.668457 0.002590 0.633012 B\n0.678551 0.323451 0.119984 B\n0.827879 0.496002 0.374954 B\n0.821489 0.174691 0.881196 B\n0.096109 0.496981 0.345360 O\n0.085745 0.171053 0.863800 O\n0.207563 0.782232 0.824269 O\n0.235265 0.871082 0.431861 O\n0.210396 0.130364 0.370109 O\n0.199273 0.535388 0.917098 O\n0.280792 0.366110 0.605631 O\n0.302218 0.964704 0.092750 O\n0.261206 0.629958 0.573981 O\n0.291962 0.716151 0.182206 O\n0.412192 0.324805 0.117369 O\n0.400975 0.002337 0.662042 O\n0.587835 0.991833 0.322942 O\n0.596264 0.656422 0.877918 O\n0.684123 0.303989 0.845738 O\n0.713370 0.363865 0.415261 O\n0.684466 0.620443 0.366841 O\n0.682066 0.057452 0.931830 O\n0.821085 0.442263 0.075356 O\n0.811981 0.877861 0.637688 O\n0.785628 0.136013 0.597225 O\n0.810758 0.196435 0.163635 O\n0.904984 0.841916 0.125638 O\n0.918769 0.502001 0.685358 O\n",
"nsites": 44,
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"elements": [
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"Fe",
"B",
"O"
],
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"density": 3.244883007249872,
"density_atomic": 0.09098544355565863,
"volume": 483.59383963528,
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"formula_full": "Li4 Fe8 B8 O24",
"formula_reduced": "LiFe2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -347.04920058,
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"updated_at": "2021-11-28T01:37:50.934000Z",
"spacegroup": 1
},
{
"id": "mp-1233251",
"created_at": "2022-09-04T14:46:55.945119Z",
"structure_string": "Ca1 Sc4 Fe4 O12\n1.0\n5.169348 -0.113639 -0.146181\n-0.113402 5.454709 0.147891\n-0.192521 0.210963 8.994987\nCa Sc Fe O\n1 4 4 12\ndirect\n0.383987 0.175156 0.089644 Ca\n0.000479 0.929111 0.698981 Sc\n0.437301 0.400518 0.747817 Sc\n0.568264 0.618956 0.273252 Sc\n0.927785 0.105808 0.283252 Sc\n0.965297 0.597068 0.011678 Fe\n0.055742 0.522488 0.465978 Fe\n0.530532 0.846276 0.877871 Fe\n0.484037 0.027905 0.501261 Fe\n0.207839 0.434413 0.282607 O\n0.197639 0.224045 0.573235 O\n0.221271 0.058690 0.867189 O\n0.286389 0.709824 0.606400 O\n0.319127 0.539571 0.942897 O\n0.310008 0.939300 0.308275 O\n0.658096 0.099898 0.706599 O\n0.749054 0.371842 0.140278 O\n0.721318 0.324287 0.424710 O\n0.745839 0.871936 0.117041 O\n0.801301 0.818537 0.439170 O\n0.791194 0.621871 0.791867 O\n",
"nsites": 21,
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],
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"density_atomic": 0.08293502431202818,
"volume": 253.21027122378672,
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"formula_full": "Ca1 Sc4 Fe4 O12",
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"energy": -177.1846037,
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},
{
"id": "mp-849287",
"created_at": "2022-09-04T14:46:56.036942Z",
"structure_string": "V6 O10 F2\n1.0\n4.663611 0.000000 0.000000\n0.124778 5.535457 0.000000\n0.214155 0.684207 7.518752\nV O F\n6 10 2\ndirect\n0.518604 0.834627 0.669874 V\n0.493014 0.508982 0.996974 V\n0.522551 0.179186 0.340278 V\n0.998995 0.320586 0.674362 V\n0.972778 0.652951 0.319526 V\n0.994137 0.009273 0.985311 V\n0.805118 0.372613 0.436342 O\n0.801037 0.709546 0.096008 O\n0.798906 0.019961 0.771706 O\n0.689242 0.205225 0.108863 O\n0.696231 0.517460 0.778801 O\n0.716012 0.866622 0.424615 O\n0.309664 0.136824 0.551567 O\n0.298030 0.477179 0.236511 O\n0.292624 0.795882 0.904497 O\n0.199935 0.290300 0.910446 O\n0.195032 0.967764 0.228375 F\n0.198091 0.635019 0.565944 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
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"density": 4.3087131891989126,
"density_atomic": 0.0927365521912892,
"volume": 194.09822313504932,
"volume_molar": 6.493815672139753,
"formula_full": "V6 O10 F2",
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"updated_at": "2021-11-28T01:37:46.420000Z",
"spacegroup": 1
},
{
"id": "mp-691091",
"created_at": "2022-09-04T14:46:56.040122Z",
"structure_string": "Na4 Al4 Si6 H8 O24\n1.0\n8.079822 0.000000 0.000000\n-0.981561 8.404470 0.000000\n-1.547308 -2.233369 8.519617\nNa Al Si H O\n4 4 6 8 24\ndirect\n0.979868 0.746028 0.285995 Na\n0.601527 0.201780 0.595456 Na\n0.222556 0.976184 0.676760 Na\n0.981978 0.315387 0.797445 Na\n0.053339 0.135825 0.403261 Al\n0.859658 0.450491 0.422700 Al\n0.852130 0.857953 0.571944 Al\n0.552751 0.541764 0.211011 Al\n0.331582 0.945214 0.232827 Si\n0.404077 0.481054 0.830682 Si\n0.654900 0.178687 0.228536 Si\n0.694309 0.712573 0.971884 Si\n0.421121 0.747108 0.364707 Si\n0.917286 0.005010 0.901105 Si\n0.633635 0.106910 0.059793 H\n0.199012 0.635125 0.879637 H\n0.292233 0.374901 0.023458 H\n0.823137 0.497761 0.676808 H\n0.594429 0.852416 0.425539 H\n0.078138 0.255084 0.169647 H\n0.382653 0.710865 0.601275 H\n0.393840 0.832208 0.992531 H\n0.681415 0.681272 0.141490 O\n0.039275 0.169617 0.007394 O\n0.406071 0.421329 0.013459 O\n0.044194 0.463542 0.331272 O\n0.820309 0.881834 0.994488 O\n0.124844 0.313023 0.295255 O\n0.499369 0.097342 0.298905 O\n0.969988 0.977499 0.482504 O\n0.832851 0.399070 0.598531 O\n0.762600 0.083307 0.799205 O\n0.841539 0.193036 0.336992 O\n0.160463 0.006766 0.275011 O\n0.324527 0.757764 0.520969 O\n0.650167 0.381105 0.266318 O\n0.304753 0.883643 0.038547 O\n0.183742 0.224858 0.611487 O\n0.676860 0.955156 0.644361 O\n0.496095 0.684683 0.866905 O\n0.986283 0.884064 0.763992 O\n0.767448 0.553210 0.869033 O\n0.824849 0.656422 0.456356 O\n0.360591 0.327177 0.660653 O\n0.615101 0.420277 0.833636 O\n0.202511 0.523674 0.820237 O\n",
"nsites": 46,
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"elements": [
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"H",
"O"
],
"chemical_system": "Al-H-Na-O-Si",
"density": 2.182659816867647,
"density_atomic": 0.0795107107448708,
"volume": 578.5384078329024,
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"formula_full": "Na4 Al4 Si6 H8 O24",
"formula_reduced": "Na2Al2Si3(HO3)4",
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"energy": -294.3176299,
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"spacegroup": 1
},
{
"id": "mp-1423059",
"created_at": "2022-09-04T14:46:56.068508Z",
"structure_string": "Sb2 N2\n1.0\n3.322500 0.000000 0.000000\n-0.014811 3.910106 0.000000\n-0.162381 -0.137182 5.987793\nSb N\n2 2\ndirect\n0.638368 0.795770 0.955606 Sb\n0.118244 0.279281 0.541703 Sb\n0.621125 0.970441 0.625199 N\n0.132967 0.480926 0.872192 N\n",
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"elements": [
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],
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"density": 5.796316030552932,
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"formula_full": "Sb2 N2",
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"updated_at": "2021-11-28T01:37:46.836000Z",
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},
{
"id": "mp-677709",
"created_at": "2022-09-04T14:46:56.135964Z",
"structure_string": "Na6 Sr14 Ti14 Nb6 O60\n1.0\n6.863013 0.000000 0.000000\n-2.290493 6.481136 0.000000\n-2.304057 -3.225595 28.082390\nNa Sr Ti Nb O\n6 14 14 6 60\ndirect\n0.101490 0.101874 0.201228 Na\n0.599273 0.599636 0.201017 Na\n0.700047 0.700075 0.399822 Na\n0.299903 0.299905 0.599840 Na\n0.899737 0.899728 0.799722 Na\n0.000938 0.000571 0.999451 Na\n0.300919 0.801692 0.100720 Sr\n0.899226 0.400221 0.299942 Sr\n0.800249 0.299627 0.100745 Sr\n0.499807 0.999846 0.499805 Sr\n0.400717 0.899642 0.299942 Sr\n0.199470 0.199517 0.399543 Sr\n0.099804 0.599825 0.699834 Sr\n0.000004 0.499950 0.499807 Sr\n0.799922 0.799920 0.599847 Sr\n0.600004 0.099995 0.699832 Sr\n0.400335 0.400266 0.800059 Sr\n0.700601 0.198554 0.899661 Sr\n0.498579 0.497809 0.998832 Sr\n0.198988 0.701106 0.899667 Sr\n0.402212 0.401771 0.300344 Ti\n0.897772 0.897515 0.298610 Ti\n0.299281 0.302995 0.102383 Ti\n0.104780 0.597594 0.202742 Ti\n0.999005 0.000549 0.499497 Ti\n0.500423 0.498879 0.499427 Ti\n0.700275 0.198854 0.399190 Ti\n0.598942 0.600385 0.699466 Ti\n0.299635 0.799591 0.599180 Ti\n0.100560 0.099035 0.699526 Ti\n0.195003 0.196211 0.898502 Ti\n0.703514 0.703360 0.900146 Ti\n0.898983 0.400282 0.799211 Ti\n0.493915 0.004213 0.999297 Ti\n0.803363 0.802454 0.101248 Nb\n0.596743 0.104413 0.201476 Nb\n0.199263 0.700436 0.399794 Nb\n0.799969 0.299946 0.599881 Nb\n0.400461 0.899357 0.799769 Nb\n0.002746 0.495545 0.999235 Nb\n0.404177 0.150532 0.049950 O\n0.899000 0.646602 0.050120 O\n0.953217 0.695025 0.148969 O\n0.547486 0.546735 0.098579 O\n0.152589 0.403251 0.050725 O\n0.347772 0.848935 0.199649 O\n0.253727 0.748187 0.999860 O\n0.451505 0.196853 0.148353 O\n0.501640 0.251045 0.251486 O\n0.645591 0.899110 0.050361 O\n0.051950 0.052368 0.099774 O\n0.151009 0.150544 0.300952 O\n0.548239 0.294896 0.349503 O\n0.695207 0.952594 0.149302 O\n0.748275 0.002640 0.251381 O\n0.950716 0.446570 0.400294 O\n0.053168 0.801647 0.349117 O\n0.851560 0.350366 0.199417 O\n0.104134 0.853194 0.450703 O\n0.247930 0.503601 0.251062 O\n0.649382 0.650070 0.300120 O\n0.198414 0.451084 0.148353 O\n0.750970 0.750368 0.501181 O\n0.148381 0.894808 0.549642 O\n0.296027 0.546659 0.349318 O\n0.346644 0.598630 0.450873 O\n0.550865 0.046695 0.600309 O\n0.449500 0.953668 0.400055 O\n0.652976 0.401869 0.549244 O\n0.704144 0.453194 0.650736 O\n0.852275 0.104924 0.450834 O\n0.249215 0.249811 0.499176 O\n0.802016 0.055140 0.349793 O\n0.002546 0.746645 0.250836 O\n0.596554 0.848509 0.949436 O\n0.748366 0.494765 0.749636 O\n0.350965 0.350375 0.701184 O\n0.896368 0.146484 0.549465 O\n0.946678 0.198673 0.650957 O\n0.150880 0.646742 0.800318 O\n0.049318 0.553502 0.600067 O\n0.253040 0.001925 0.749286 O\n0.304214 0.053126 0.850680 O\n0.452351 0.704870 0.650900 O\n0.849223 0.849822 0.699166 O\n0.402271 0.654945 0.549854 O\n0.597472 0.345924 0.450611 O\n0.353969 0.100787 0.949327 O\n0.950884 0.950159 0.899921 O\n0.496314 0.746436 0.749452 O\n0.546509 0.798642 0.850849 O\n0.746526 0.251592 0.000102 O\n0.649280 0.153396 0.800079 O\n0.848274 0.596014 0.949197 O\n0.449291 0.449746 0.900138 O\n0.052396 0.304747 0.850879 O\n0.197498 0.945964 0.650698 O\n0.002352 0.254945 0.749878 O\n0.102196 0.350886 0.949079 O\n0.797704 0.545619 0.850575 O\n",
"nsites": 100,
"nelements": 5,
"elements": [
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"Sr",
"Ti",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O-Sr-Ti",
"density": 4.722168275637807,
"density_atomic": 0.0800571227056015,
"volume": 1249.108094575614,
"volume_molar": 7.52230476998974,
"formula_full": "Na6 Sr14 Ti14 Nb6 O60",
"formula_reduced": "Na3Sr7Ti7Nb3O30",
"formula_anonymous": "A3B3C7D7E30",
"energy": -831.2206362899999,
"energy_per_atom": -8.3122063629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -790.00063629,
"band_gap": 1.7047000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.740000Z",
"spacegroup": 1
},
{
"id": "mp-743603",
"created_at": "2022-09-04T14:46:56.152266Z",
"structure_string": "Li3 Ti3 Fe1 P6 O24\n1.0\n7.488635 -0.038550 4.368364\n2.467761 7.142317 4.388311\n-0.049811 -0.009990 8.714659\nLi Ti Fe P O\n3 3 1 6 24\ndirect\n0.269270 0.873588 0.663578 Li\n0.787055 0.200557 0.934966 Li\n0.943523 0.780112 0.199011 Li\n0.139690 0.145515 0.139259 Ti\n0.362894 0.367481 0.368514 Ti\n0.852158 0.856295 0.856121 Ti\n0.641183 0.635447 0.641437 Fe\n0.041702 0.751636 0.463354 P\n0.454955 0.038337 0.751224 P\n0.745878 0.461904 0.043898 P\n0.243068 0.541572 0.972855 P\n0.533343 0.978311 0.248577 P\n0.966891 0.250255 0.535612 P\n0.141280 0.283340 0.503645 O\n0.281409 0.513214 0.140752 O\n0.070411 0.913723 0.274746 O\n0.509898 0.150457 0.275873 O\n0.008545 0.799237 0.629435 O\n0.219765 0.579994 0.450958 O\n0.274906 0.075040 0.917850 O\n0.447071 0.219876 0.580925 O\n0.189962 0.379003 0.011156 O\n0.577696 0.452152 0.227015 O\n0.072042 0.729615 0.951461 O\n0.374000 0.016906 0.190367 O\n0.631945 0.987009 0.796158 O\n0.909087 0.274692 0.070027 O\n0.400414 0.575823 0.782101 O\n0.800163 0.629177 0.995637 O\n0.539201 0.801962 0.423213 O\n0.729181 0.946676 0.084686 O\n0.785684 0.415724 0.560038 O\n0.002413 0.194293 0.376881 O\n0.469908 0.878088 0.712959 O\n0.943339 0.081441 0.727401 O\n0.702388 0.481215 0.882344 O\n0.872682 0.715334 0.486966 O\n",
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"elements": [
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],
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"formula_full": "Li3 Ti3 Fe1 P6 O24",
"formula_reduced": "Li3Ti3Fe(PO4)6",
"formula_anonymous": "AB3C3D6E24",
"energy": -294.75782618999995,
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"updated_at": "2021-11-28T01:37:49.559000Z",
"spacegroup": 1
},
{
"id": "mp-772705",
"created_at": "2022-09-04T14:46:56.253195Z",
"structure_string": "Li5 Nb2 Fe5 O12\n1.0\n5.209636 0.000000 0.000000\n2.590008 4.637996 0.000000\n2.171447 0.002160 10.019033\nLi Nb Fe O\n5 2 5 12\ndirect\n0.679334 0.152617 0.503273 Li\n0.826639 0.853519 0.993722 Li\n0.165028 0.152983 0.997923 Li\n0.327664 0.851385 0.507472 Li\n0.919499 0.161361 0.749443 Li\n0.239793 0.505396 0.749502 Nb\n0.734960 0.519710 0.248987 Nb\n0.079930 0.823555 0.249838 Fe\n0.504327 0.489026 0.994040 Fe\n0.001838 0.498193 0.502340 Fe\n0.430329 0.154689 0.251281 Fe\n0.584247 0.837768 0.751712 Fe\n0.204146 0.809343 0.867535 O\n0.985032 0.815080 0.630705 O\n0.373621 0.502433 0.376895 O\n0.128066 0.504427 0.126170 O\n0.519917 0.179379 0.862794 O\n0.293286 0.191420 0.633661 O\n0.701260 0.819105 0.380747 O\n0.488704 0.808994 0.123516 O\n0.885788 0.496292 0.871227 O\n0.613457 0.510590 0.635656 O\n0.023792 0.185505 0.361708 O\n0.789345 0.177224 0.129853 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
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"density": 4.744884471447859,
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"formula_full": "Li5 Nb2 Fe5 O12",
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"updated_at": "2021-11-28T01:37:48.156000Z",
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}
]
}