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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=411",
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"results": [
{
"id": "jvasp-47237",
"created_at": "2022-09-04T14:38:09.140506Z",
"updated_at": "2022-09-04T14:38:09.140536Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n7.124838 -0.000000 -0.000000\n0.000000 7.124838 -0.000000\n-0.000000 -0.000000 7.124838\nLi Mn P O\n4 4 4 16\ndirect\n0.202298 0.702298 0.797703 Li\n0.297703 0.297703 0.297703 Li\n0.702298 0.797703 0.202298 Li\n0.797703 0.202298 0.702298 Li\n0.272459 0.727541 0.227541 Mn\n0.227541 0.272459 0.727541 Mn\n0.772459 0.772459 0.772459 Mn\n0.727541 0.227541 0.272459 Mn\n0.529893 0.470107 0.970107 P\n0.470107 0.970107 0.529893 P\n0.970107 0.529893 0.470107 P\n0.029893 0.029893 0.029893 P\n0.822007 0.021348 0.101886 O\n0.898114 0.322007 0.478652 O\n0.601887 0.677993 0.978653 O\n0.677993 0.978653 0.601887 O\n0.651468 0.348532 0.848532 O\n0.478652 0.898114 0.322007 O\n0.521348 0.398114 0.177993 O\n0.151468 0.151468 0.151468 O\n0.322007 0.478652 0.898114 O\n0.398114 0.177993 0.521348 O\n0.101886 0.822007 0.021348 O\n0.177993 0.521348 0.398114 O\n0.848532 0.651468 0.348532 O\n0.978653 0.601887 0.677993 O\n0.348532 0.848532 0.651468 O\n0.021348 0.101886 0.822007 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.880512448983948,
"density_atomic": 0.07741641374444026,
"volume": 361.68040659221117,
"volume_molar": 7.778893995115456,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.559032391625616,
"spacegroup": 198
},
{
"id": "jvasp-40683",
"created_at": "2022-09-04T14:38:06.108048Z",
"updated_at": "2022-09-04T14:38:06.108080Z",
"structure_string": "Li3 Mn3 P3 O12\n1.0\n2.628424 -4.552564 -0.000000\n2.628424 4.552564 0.000000\n-0.000000 -0.000000 13.220785\nLi Mn P O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.166667 Li\n0.499999 0.499999 0.333333 Mn\n-0.000000 0.499999 0.666667 Mn\n0.499999 -0.000000 0.000000 Mn\n0.499999 0.499999 0.833333 P\n-0.000000 0.499999 0.166667 P\n0.499999 -0.000000 0.500000 P\n0.181049 0.403533 0.232257 O\n0.222484 0.403533 0.767743 O\n0.181049 0.777515 0.101076 O\n0.222484 0.818950 0.565590 O\n0.818950 0.222484 0.101076 O\n0.403533 0.181049 0.434410 O\n0.818949 0.596466 0.232257 O\n0.777515 0.596466 0.767743 O\n0.596466 0.777515 0.898924 O\n0.403533 0.222484 0.898924 O\n0.777515 0.181049 0.565590 O\n0.596466 0.818949 0.434410 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.4695469085919406,
"density_atomic": 0.06637133795561055,
"volume": 316.4016373158681,
"volume_molar": 9.073405698145837,
"formula_full": "Li3 Mn3 P3 O12",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.557680963054187,
"spacegroup": 180
},
{
"id": "jvasp-59199",
"created_at": "2022-09-04T14:38:10.121049Z",
"updated_at": "2022-09-04T14:38:10.121076Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.058602 0.000000 0.000000\n0.000000 6.799233 0.000000\n0.000000 0.000000 10.168468\nLi Mn P O\n4 4 4 16\ndirect\n0.317513 0.787135 0.846766 Li\n0.817513 0.287135 0.653235 Li\n0.182486 0.787135 0.346765 Li\n0.682486 0.287135 0.153235 Li\n0.316843 0.286577 0.844908 Mn\n0.816843 0.786576 0.655092 Mn\n0.183156 0.286577 0.344908 Mn\n0.683156 0.786576 0.155092 Mn\n0.820008 0.036800 0.907305 P\n0.320008 0.536800 0.592696 P\n0.679991 0.036800 0.407305 P\n0.179991 0.536800 0.092695 P\n0.375899 0.029612 0.386097 O\n0.247972 0.543492 0.444728 O\n0.752028 0.043493 0.555273 O\n0.786934 0.224606 0.337886 O\n0.195251 0.349951 0.655260 O\n0.213066 0.724606 0.662114 O\n0.713066 0.224606 0.837886 O\n0.875898 0.529612 0.113904 O\n0.747972 0.043493 0.055273 O\n0.252028 0.543492 0.944728 O\n0.286934 0.724606 0.162114 O\n0.304748 0.349951 0.155260 O\n0.804748 0.849951 0.344740 O\n0.124101 0.029612 0.886097 O\n0.695251 0.849951 0.844740 O\n0.624101 0.529612 0.613904 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9788509750931653,
"density_atomic": 0.08005935181852321,
"volume": 349.74052829542995,
"volume_molar": 7.522095324542294,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5454009630541874,
"spacegroup": 33
},
{
"id": "jvasp-47436",
"created_at": "2022-09-04T14:38:08.380694Z",
"updated_at": "2022-09-04T14:38:08.380713Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n5.169110 0.000000 0.122195\n-2.584555 4.366385 -0.061098\n-1.502272 0.000000 9.552390\nLi Mn O F\n8 4 8 4\ndirect\n0.195124 0.870368 0.507405 Li\n0.000001 0.500001 -0.000000 Li\n0.069083 0.138167 0.250000 Li\n0.675245 0.870368 0.992595 Li\n0.500001 0.500001 0.500000 Li\n0.324757 0.129633 0.007405 Li\n0.930919 0.861834 0.750000 Li\n0.804878 0.129633 0.492595 Li\n0.579207 0.158413 0.750000 Mn\n0.744514 0.489027 0.250000 Mn\n0.255488 0.510974 0.750000 Mn\n0.420795 0.841588 0.250000 Mn\n0.059833 0.803639 0.146796 O\n0.298632 0.824900 0.868862 O\n0.526270 0.824900 0.631138 O\n0.256194 0.196362 0.646796 O\n0.743808 0.803639 0.353204 O\n0.473732 0.175101 0.368862 O\n0.701370 0.175101 0.131139 O\n0.940169 0.196362 0.853204 O\n0.347298 0.474620 0.114076 F\n0.127323 0.474620 0.385924 F\n0.652704 0.525381 0.885925 F\n0.872679 0.525381 0.614076 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.677621264006634,
"density_atomic": 0.11090466483340912,
"volume": 216.40207863258604,
"volume_molar": 5.430015742841757,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.5222007539798854,
"spacegroup": 15
},
{
"id": "jvasp-46697",
"created_at": "2022-09-04T14:38:07.770774Z",
"updated_at": "2022-09-04T14:38:07.770797Z",
"structure_string": "Li2 Mn6 O2 F10\n1.0\n6.221437 -0.017105 -0.007206\n-0.229886 6.265611 -0.020806\n-0.270383 -0.271557 6.240233\nLi Mn O F\n2 6 2 10\ndirect\n0.488262 0.502214 0.514124 Li\n0.007029 0.016076 0.023043 Li\n0.726752 0.445514 0.913432 Mn\n0.065591 0.242351 0.550091 Mn\n0.589387 0.077830 0.263421 Mn\n0.437101 0.905933 0.752422 Mn\n0.926863 0.759215 0.426211 Mn\n0.262753 0.565760 0.057623 Mn\n0.460785 0.597162 0.819754 O\n0.909324 0.061492 0.321494 O\n0.933113 0.681961 0.073695 F\n0.688325 0.096944 0.909589 F\n0.067034 0.307859 0.900486 F\n0.406402 0.184217 0.548833 F\n0.817120 0.474150 0.582997 F\n0.187132 0.534737 0.390173 F\n0.545112 0.403570 0.205064 F\n0.090667 0.909607 0.705829 F\n0.576628 0.794806 0.449011 F\n0.314624 0.938596 0.092688 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.8614536335243104,
"density_atomic": 0.08224403532099321,
"volume": 243.17872927734246,
"volume_molar": 7.322282687730447,
"formula_full": "Li2 Mn6 O2 F10",
"formula_reduced": "LiMn3OF5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.5772986636637931,
"spacegroup": 1
},
{
"id": "jvasp-47387",
"created_at": "2022-09-04T14:38:04.107858Z",
"updated_at": "2022-09-04T14:38:04.107887Z",
"structure_string": "Li4 Mn2 O4 F2\n1.0\n5.022078 0.001696 0.028799\n-2.362550 4.437314 -0.017017\n-1.046657 -1.687182 4.761235\nLi Mn O F\n4 2 4 2\ndirect\n0.411749 0.570453 0.491309 Li\n0.723573 0.259718 0.491202 Li\n0.583312 0.400381 0.990560 Li\n0.234464 0.748381 0.991553 Li\n0.096761 0.885660 0.491280 Mn\n0.902810 0.080493 0.991215 Mn\n0.272334 0.120258 0.256387 O\n0.511068 0.005778 0.743315 O\n0.862339 0.710702 0.726625 O\n0.977030 0.470814 0.238697 O\n0.182855 0.345019 0.745223 F\n0.639302 0.799946 0.238227 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.7460202612378968,
"density_atomic": 0.112967348105642,
"volume": 106.22538460208996,
"volume_molar": 5.330868486324353,
"formula_full": "Li4 Mn2 O4 F2",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.5206840873132186,
"spacegroup": 5
},
{
"id": "jvasp-46694",
"created_at": "2022-09-04T14:38:04.972479Z",
"updated_at": "2022-09-04T14:38:04.972502Z",
"structure_string": "Li3 Mn5 O1 F11\n1.0\n-5.267934 0.055099 0.694491\n2.461731 4.751179 -1.611481\n1.297883 -0.371687 -9.287818\nLi Mn O F\n3 5 1 11\ndirect\n0.294718 0.152900 0.425820 Li\n0.716694 0.874082 0.556013 Li\n0.217824 0.367025 0.078317 Li\n0.752594 0.641850 0.931110 Mn\n0.460334 0.071589 0.822445 Mn\n0.976733 0.617133 0.329978 Mn\n0.037726 0.394137 0.678623 Mn\n0.543393 0.887395 0.168768 Mn\n0.519578 0.773963 0.980337 O\n0.438802 0.873652 0.372862 F\n0.052439 0.598947 0.129024 F\n0.041807 0.277722 0.477394 F\n0.439187 0.216727 0.021482 F\n0.531910 0.467381 0.288145 F\n0.922774 0.380028 0.878366 F\n0.578995 0.132831 0.614945 F\n0.018540 0.976203 0.773118 F\n0.481469 0.527752 0.714299 F\n0.980477 0.734713 0.531180 F\n0.994006 0.033969 0.227775 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.7279207927134297,
"density_atomic": 0.08626427215268055,
"volume": 231.8456934824845,
"volume_molar": 6.981037003756683,
"formula_full": "Li3 Mn5 O1 F11",
"formula_reduced": "Li3Mn5OF11",
"formula_anonymous": "AB3C5D11",
"energy_above_hull": 1.395933140719827,
"spacegroup": 1
},
{
"id": "jvasp-47298",
"created_at": "2022-09-04T14:38:09.722807Z",
"updated_at": "2022-09-04T14:38:09.722824Z",
"structure_string": "Li4 Mn5 O9 F1\n1.0\n5.105830 -0.022510 -0.007446\n-1.166818 5.209832 0.021507\n-1.787516 -2.535110 7.123743\nLi Mn O F\n4 5 9 1\ndirect\n0.893720 0.811147 0.306912 Li\n0.495091 0.962192 0.477413 Li\n0.112138 0.183449 0.689435 Li\n0.717544 0.414103 0.919124 Li\n0.202145 0.402580 0.391715 Mn\n0.008779 0.984451 0.006495 Mn\n0.601331 0.183320 0.200778 Mn\n0.792552 0.592628 0.597368 Mn\n0.389041 0.790481 0.805658 Mn\n0.436033 0.459192 0.651499 O\n0.862886 0.213016 0.436881 O\n0.278535 0.030190 0.267151 O\n0.664225 0.798599 0.026917 O\n0.943215 0.338061 0.145079 O\n0.137668 0.800304 0.571265 O\n0.555958 0.598505 0.371142 O\n0.001608 0.633933 0.842961 O\n0.356271 0.138939 0.952565 O\n0.750129 0.056445 0.737407 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.078678330252264,
"density_atomic": 0.10026595868608794,
"volume": 189.4960188780031,
"volume_molar": 6.006166837594484,
"formula_full": "Li4 Mn5 O9 F1",
"formula_reduced": "Li4Mn5O9F",
"formula_anonymous": "AB4C5D9",
"energy_above_hull": 2.915684631020871,
"spacegroup": 1
},
{
"id": "jvasp-47011",
"created_at": "2022-09-04T14:38:09.523553Z",
"updated_at": "2022-09-04T14:38:09.523576Z",
"structure_string": "Li4 Mn1 O1 F4\n1.0\n-0.000000 0.000000 3.989027\n3.393524 -3.393523 1.994514\n3.393523 3.393524 -1.994514\nLi Mn O F\n4 1 1 4\ndirect\n0.586260 0.203968 0.376488 Li\n0.209772 0.376488 0.796031 Li\n0.790229 0.623511 0.203968 Li\n0.413740 0.796031 0.623511 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 O\n0.106340 0.207680 0.420357 F\n0.314020 0.579642 0.207680 F\n0.685981 0.420357 0.792319 F\n0.893661 0.792319 0.579642 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.157410309546821,
"density_atomic": 0.10884320121697852,
"volume": 91.87528378612309,
"volume_molar": 5.53285891324979,
"formula_full": "Li4 Mn1 O1 F4",
"formula_reduced": "Li4MnOF4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 0.7885741871379309,
"spacegroup": 87
},
{
"id": "jvasp-46777",
"created_at": "2022-09-04T14:38:08.906937Z",
"updated_at": "2022-09-04T14:38:08.906947Z",
"structure_string": "Li8 Mn2 O4 F4\n1.0\n0.000000 5.974332 0.059100\n4.932059 0.000000 0.000000\n0.000000 -1.122285 -6.010755\nLi Mn O F\n8 2 4 4\ndirect\n0.166667 0.475999 0.920647 Li\n0.391894 0.992187 0.795473 Li\n0.608107 0.492187 0.704528 Li\n0.833335 0.975999 0.579355 Li\n0.166666 0.024001 0.420646 Li\n0.391894 0.507814 0.295473 Li\n0.608106 0.007814 0.204527 Li\n0.833334 0.524001 0.079354 Li\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.880372 0.691394 0.803861 O\n0.119629 0.191394 0.696140 O\n0.880371 0.808606 0.303861 O\n0.119629 0.308606 0.196140 O\n0.613972 0.241359 0.951178 F\n0.386029 0.741359 0.548823 F\n0.613972 0.258641 0.451177 F\n0.386029 0.758641 0.048823 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.868584855525786,
"density_atomic": 0.10181898324308727,
"volume": 176.78432279200806,
"volume_molar": 5.914555977859715,
"formula_full": "Li8 Mn2 O4 F4",
"formula_reduced": "Li4Mn(OF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.26246497848659,
"spacegroup": 14
},
{
"id": "jvasp-48650",
"created_at": "2022-09-04T14:38:06.882967Z",
"updated_at": "2022-09-04T14:38:06.882992Z",
"structure_string": "Li1 Mn7 O3 F9\n1.0\n6.270094 0.017364 -0.009833\n0.024331 6.329564 -0.017272\n0.033363 0.001248 6.356134\nLi Mn O F\n1 7 3 9\ndirect\n0.512032 0.491731 0.510148 Li\n0.061301 0.566837 0.241896 Mn\n0.434706 0.261799 0.055761 Mn\n0.236587 0.927204 0.546888 Mn\n0.987132 0.035150 0.033308 Mn\n0.738418 0.033758 0.418676 Mn\n0.568559 0.765944 0.950157 Mn\n0.961016 0.430941 0.749607 Mn\n0.658676 0.042098 0.100528 O\n0.026407 0.877279 0.317218 O\n0.117941 0.334932 0.027569 O\n0.447403 0.579614 0.202237 F\n0.206670 0.567227 0.571849 F\n0.422395 0.190537 0.454061 F\n0.569094 0.802732 0.591028 F\n0.287051 0.933890 0.876363 F\n0.818783 0.410921 0.431443 F\n0.600332 0.438891 0.815834 F\n0.941090 0.097929 0.685708 F\n0.904391 0.710578 0.919724 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.018726098672043,
"density_atomic": 0.0792848004307189,
"volume": 252.25515977020737,
"volume_molar": 7.595580397862391,
"formula_full": "Li1 Mn7 O3 F9",
"formula_reduced": "LiMn7(OF3)3",
"formula_anonymous": "AB3C7D9",
"energy_above_hull": 2.186239186607758,
"spacegroup": 1
},
{
"id": "jvasp-46700",
"created_at": "2022-09-04T14:38:05.001614Z",
"updated_at": "2022-09-04T14:38:05.001627Z",
"structure_string": "Li12 Mn2 O4 F8\n1.0\n5.541933 0.055978 -0.019391\n-2.261672 -6.597883 0.002325\n-0.030842 0.007708 -8.250604\nLi Mn O F\n12 2 4 8\ndirect\n0.978475 0.006736 0.346201 Li\n0.587314 0.178625 0.159412 Li\n0.307324 0.329004 0.297214 Li\n0.693479 0.170773 0.796266 Li\n0.587961 0.678509 0.339629 Li\n0.020529 0.494013 0.846201 Li\n-0.020529 0.505986 0.153799 Li\n0.412039 0.321490 0.660371 Li\n0.306521 0.829226 0.203734 Li\n0.692676 0.670995 0.702786 Li\n0.412685 0.821374 0.840587 Li\n0.021525 0.993263 0.653799 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.227544 0.076358 0.182008 O\n0.771907 0.423878 0.681663 O\n0.228093 0.576121 0.318337 O\n0.772456 0.923641 0.817992 O\n0.668507 0.438436 0.273647 F\n0.853174 0.292723 0.004025 F\n0.853226 0.792818 0.495413 F\n0.667933 0.938582 0.225870 F\n0.332067 0.061416 0.774130 F\n0.146774 0.207181 0.504587 F\n0.146826 0.707276 -0.004025 F\n0.331492 0.561563 0.726353 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.2598697483909502,
"density_atomic": 0.08648126005148234,
"volume": 300.64316806348785,
"volume_molar": 6.963521063887156,
"formula_full": "Li12 Mn2 O4 F8",
"formula_reduced": "Li6Mn(OF2)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.0013965670291776,
"spacegroup": 14
}
]
}