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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=414",
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"results": [
{
"id": "jvasp-42818",
"created_at": "2022-09-04T14:35:50.174514Z",
"updated_at": "2022-09-04T14:35:50.174538Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n2.659761 4.283848 0.108421\n-2.659761 4.283848 -0.108421\n-1.355362 0.000000 9.574452\nLi Mn O F\n8 4 8 4\ndirect\n0.592158 0.592157 0.750000 Li\n0.909791 0.909790 0.750000 Li\n0.226626 0.226625 0.750000 Li\n0.000000 0.500000 0.000000 Li\n0.090210 0.090210 0.250000 Li\n0.407843 0.407843 0.250000 Li\n0.773375 0.773375 0.250000 Li\n0.500000 0.000000 0.500000 Li\n0.863064 0.313153 0.500026 Mn\n0.686847 0.136937 0.000026 Mn\n0.136937 0.686847 0.499974 Mn\n0.313153 0.863064 -0.000026 Mn\n0.204472 0.935388 0.617913 O\n0.593707 0.894938 0.880839 O\n0.064613 0.795528 0.117913 O\n0.105062 0.406294 0.380839 O\n0.894939 0.593706 0.619161 O\n0.935388 0.204472 0.882087 O\n0.406294 0.105062 0.119161 O\n0.795529 0.064612 0.382087 O\n0.562285 0.276673 0.626270 F\n0.276673 0.562284 0.873730 F\n0.437716 0.723327 0.373730 F\n0.723328 0.437716 0.126270 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.626677647211455,
"density_atomic": 0.10936837701569198,
"volume": 219.44185929134272,
"volume_molar": 5.506290688702416,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.523782420646552,
"spacegroup": 15
},
{
"id": "jvasp-48314",
"created_at": "2022-09-04T14:35:59.217438Z",
"updated_at": "2022-09-04T14:35:59.217459Z",
"structure_string": "Li12 Mn2 O4 F8\n1.0\n5.424453 0.069223 -0.021592\n-0.868797 5.356456 -0.033179\n-2.319880 -2.721562 10.296374\nLi Mn O F\n12 2 4 8\ndirect\n0.983368 0.687269 0.187590 Li\n0.035961 0.590874 0.664803 Li\n0.326551 0.633657 0.012246 Li\n0.367630 0.674476 0.486738 Li\n0.689088 0.980624 0.688075 Li\n0.592934 0.033617 0.165823 Li\n0.407065 0.966383 0.834177 Li\n0.310910 0.019376 0.311924 Li\n0.632368 0.325524 0.513261 Li\n0.673448 0.366343 0.987754 Li\n0.964038 0.409126 0.335197 Li\n0.016631 0.312732 0.812410 Li\n-0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.108679 0.767752 0.371096 O\n0.233605 0.891000 0.128516 O\n0.766393 0.109000 0.871484 O\n0.891319 0.232249 0.628903 O\n0.158709 0.684483 0.849338 F\n0.316934 0.840248 0.649872 F\n0.315654 0.271558 0.935140 F\n0.270218 0.317006 0.435551 F\n0.729780 0.682994 0.564449 F\n0.684344 0.728443 0.064859 F\n0.683064 0.159753 0.350128 F\n0.841289 0.315517 0.150661 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.27240136877777,
"density_atomic": 0.08696082323086939,
"volume": 298.98521005227224,
"volume_molar": 6.925119308049809,
"formula_full": "Li12 Mn2 O4 F8",
"formula_reduced": "Li6Mn(OF2)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.001675028567639,
"spacegroup": 15
},
{
"id": "jvasp-92252",
"created_at": "2022-09-04T14:35:59.678227Z",
"updated_at": "2022-09-04T14:35:59.678256Z",
"structure_string": "Li3 Mn1 O2 F2\n1.0\n-0.000003 1.988879 1.988880\n-4.397091 0.029130 -4.006885\n-4.397091 -4.006883 0.029130\nLi Mn O F\n3 1 2 2\ndirect\n0.000132 0.500598 0.000537 Li\n0.000149 0.500564 0.500564 Li\n0.000131 0.000537 0.500598 Li\n0.000274 0.000639 0.000644 Mn\n0.500338 0.772490 0.228847 O\n0.500337 0.228848 0.772489 O\n0.525904 0.263463 0.263463 F\n0.474674 0.737846 0.737846 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.428629825543681,
"density_atomic": 0.11332692529457322,
"volume": 70.59222668580675,
"volume_molar": 5.313954070796956,
"formula_full": "Li3 Mn1 O2 F2",
"formula_reduced": "Li3Mn(OF)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.2606481007974135,
"spacegroup": 65
},
{
"id": "jvasp-48805",
"created_at": "2022-09-04T14:35:59.822443Z",
"updated_at": "2022-09-04T14:35:59.822465Z",
"structure_string": "Li8 Mn2 O4 F4\n1.0\n4.066266 3.516193 -0.000000\n-4.066266 3.516193 -0.000000\n0.000000 0.000000 6.582743\nLi Mn O F\n8 2 4 4\ndirect\n0.165838 0.834161 0.500000 Li\n0.165838 0.834161 0.000000 Li\n0.579755 0.895507 0.250000 Li\n0.104492 0.420244 0.750000 Li\n0.420244 0.104492 0.750000 Li\n0.895507 0.579755 0.250000 Li\n0.834161 0.165838 0.000000 Li\n0.834161 0.165838 0.500000 Li\n0.382382 0.382382 0.250000 Mn\n0.617617 0.617617 0.750000 Mn\n0.252324 0.697357 0.250000 O\n0.302642 0.747675 0.750000 O\n0.747675 0.302642 0.750000 O\n0.697357 0.252324 0.250000 O\n0.799920 0.799920 0.029549 F\n0.200079 0.200079 0.529549 F\n0.799920 0.799920 0.470451 F\n0.200079 0.200079 0.970451 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.694052561969378,
"density_atomic": 0.09562404686574233,
"volume": 188.23717035603278,
"volume_molar": 6.297726311934049,
"formula_full": "Li8 Mn2 O4 F4",
"formula_reduced": "Li4Mn(OF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.2614105340421455,
"spacegroup": 63
},
{
"id": "jvasp-48185",
"created_at": "2022-09-04T14:35:48.068305Z",
"updated_at": "2022-09-04T14:35:48.068328Z",
"structure_string": "Li3 Mn8 O4 F12\n1.0\n2.073771 -2.786980 -5.292411\n8.370393 5.715257 -0.051731\n-0.000000 -3.193355 5.180752\nLi Mn O F\n3 8 4 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.798400 0.421758 0.610079 Li\n0.201600 0.578241 0.389921 Li\n0.500000 -0.000000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.255101 0.246842 0.501999 Mn\n0.255101 0.246842 -0.000056 Mn\n0.751219 0.281923 0.016571 Mn\n0.248781 0.718077 0.983429 Mn\n0.744899 0.753157 0.498001 Mn\n0.744899 0.753158 0.000056 Mn\n0.641872 0.887661 0.764766 O\n0.587372 0.868687 0.228030 O\n0.358128 0.112338 0.235234 O\n0.412628 0.131313 0.771970 O\n0.110725 0.865930 0.766142 F\n0.889275 0.134070 0.233858 F\n0.889275 0.134070 0.789488 F\n0.110812 0.361631 0.736221 F\n0.122758 0.378867 0.250813 F\n0.603542 0.372211 0.726255 F\n0.603541 0.372211 0.249497 F\n0.396458 0.627789 0.273744 F\n0.396459 0.627788 0.750503 F\n0.877241 0.621133 0.749187 F\n0.889188 0.638369 0.263779 F\n0.110725 0.865930 0.210512 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.863028617312531,
"density_atomic": 0.08349263797697445,
"volume": 323.38180532091997,
"volume_molar": 7.212780558761101,
"formula_full": "Li3 Mn8 O4 F12",
"formula_reduced": "Li3Mn8(OF3)4",
"formula_anonymous": "A3B4C8D12",
"energy_above_hull": 1.9979398267049808,
"spacegroup": 12
},
{
"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-48925",
"created_at": "2022-09-04T14:38:12.861962Z",
"updated_at": "2022-09-04T14:38:12.861987Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n2.560570 4.410848 -0.002938\n-2.560570 4.410848 0.002938\n-3.490765 0.000000 9.562315\nLi Mn O F\n8 4 8 4\ndirect\n0.000001 -0.000001 0.750000 Li\n0.364437 0.327819 0.754884 Li\n0.635566 0.672179 0.745117 Li\n0.486457 0.486455 0.500000 Li\n0.000000 -0.000000 0.250000 Li\n0.327821 0.364435 0.245116 Li\n0.672181 0.635564 0.254884 Li\n0.513544 0.513544 0.000000 Li\n0.158535 0.158535 0.000000 Mn\n0.836441 0.836441 0.000000 Mn\n0.163560 0.163559 0.500000 Mn\n0.841467 0.841465 0.500000 Mn\n0.426404 0.935482 0.894753 O\n0.235876 0.779975 0.617757 O\n0.064518 0.573598 0.394753 O\n0.220025 0.764125 0.117757 O\n0.764126 0.220023 0.882244 O\n0.573599 0.064516 0.605248 O\n0.779976 0.235875 0.382244 O\n0.935483 0.426402 0.105248 O\n0.900097 0.420765 0.636078 F\n0.099906 0.579233 0.863922 F\n0.420766 0.900095 0.363922 F\n0.579235 0.099905 0.136078 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.686027674021625,
"density_atomic": 0.11115817383236162,
"volume": 215.90854880536773,
"volume_molar": 5.417631967471893,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.5217240873132187,
"spacegroup": 15
},
{
"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": [
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"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
},
{
"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-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": [
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"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-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-47370",
"created_at": "2022-09-04T14:38:02.005089Z",
"updated_at": "2022-09-04T14:38:02.005116Z",
"structure_string": "Li8 Mn1 O5 F1\n1.0\n5.261840 0.009645 -0.006318\n-2.137986 4.819287 0.009325\n-2.484537 -1.189485 5.063509\nLi Mn O F\n8 1 5 1\ndirect\n0.243442 0.470970 0.359016 Li\n0.122575 0.229395 0.653989 Li\n0.406001 0.886085 0.643481 Li\n0.710059 0.359517 0.008161 Li\n0.318639 0.674875 0.975808 Li\n0.578462 0.097769 0.347622 Li\n0.901859 0.795154 0.369414 Li\n0.757486 0.520037 0.653313 Li\n0.955631 0.966269 0.977690 Mn\n0.491964 0.577607 0.759280 O\n0.870227 0.108804 0.236722 O\n0.167683 0.777052 0.232434 O\n0.813148 0.204505 0.752879 O\n0.114778 0.885947 0.753918 O\n0.548041 0.446022 0.276277 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.707332876557199,
"density_atomic": 0.11675613683958179,
"volume": 128.47290434599932,
"volume_molar": 5.157879425450823,
"formula_full": "Li8 Mn1 O5 F1",
"formula_reduced": "Li8MnO5F",
"formula_anonymous": "ABC5D8",
"energy_above_hull": 1.652838334925287,
"spacegroup": 1
}
]
}