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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=228",
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"results": [
{
"id": "jvasp-119322",
"created_at": "2022-09-04T14:38:50.788261Z",
"updated_at": "2022-09-04T14:38:50.788297Z",
"structure_string": "Li1 Mn1 P3 H1 O10\n1.0\n5.883186 0.173034 1.906492\n0.068207 5.885335 1.906492\n0.069843 0.071099 6.439344\nLi Mn P H O\n1 1 3 1 10\ndirect\n0.104693 -0.104694 0.500000 Li\n0.321287 0.678712 -0.000000 Mn\n0.798207 0.559586 0.087641 P\n0.417676 0.582324 0.499999 P\n0.440413 0.201793 0.912357 P\n0.770735 0.229265 -0.000000 H\n0.644694 0.672398 0.933819 O\n0.299924 0.990024 0.000676 O\n0.380667 0.757772 0.627296 O\n0.674006 0.596893 0.338636 O\n0.696898 0.165035 0.876490 O\n0.834965 0.303101 0.123509 O\n0.403106 0.325994 0.661363 O\n0.242228 0.619333 0.372703 O\n0.009975 0.700076 -0.000677 O\n0.327601 0.355305 0.066180 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
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"density_atomic": 0.0722888214507208,
"volume": 221.33435957186245,
"volume_molar": 8.330666677288807,
"formula_full": "Li1 Mn1 P3 H1 O10",
"formula_reduced": "LiMnP3HO10",
"formula_anonymous": "ABCD3E10",
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"spacegroup": 5
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{
"id": "jvasp-118268",
"created_at": "2022-09-04T14:38:50.815021Z",
"updated_at": "2022-09-04T14:38:50.815042Z",
"structure_string": "In1 O1 F2\n1.0\n3.143506 -2.478640 0.005306\n3.143506 2.478640 0.005306\n-0.581474 0.000000 3.811807\nIn O F\n1 1 2\ndirect\n0.004004 0.995998 0.000001 In\n0.825703 0.174300 0.500002 O\n0.513647 0.852353 0.847360 F\n0.147650 0.486356 0.152644 F\n",
"nsites": 4,
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"elements": [
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"volume": 59.41559581901878,
"volume_molar": 8.945227034034966,
"formula_full": "In1 O1 F2",
"formula_reduced": "InOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1322225706249999,
"spacegroup": 5
},
{
"id": "jvasp-119380",
"created_at": "2022-09-04T14:38:50.975959Z",
"updated_at": "2022-09-04T14:38:50.975989Z",
"structure_string": "Li5 Co2 Ni5 O12\n1.0\n4.869269 0.011357 0.880826\n-2.435908 4.315724 -0.435852\n0.015425 0.048334 9.524204\nLi Co Ni O\n5 2 5 12\ndirect\n0.166483 0.838819 0.007174 Li\n0.669970 0.834999 0.493062 Li\n0.087072 0.173436 0.249823 Li\n0.339146 0.173848 0.493675 Li\n0.836472 0.172217 0.007331 Li\n0.250837 0.501597 0.750274 Co\n0.750915 0.497409 0.250258 Co\n0.914633 0.833637 0.749422 Ni\n0.420872 0.838002 0.250078 Ni\n0.580728 0.164115 0.749655 Ni\n0.001828 0.492738 0.495427 Ni\n0.488716 0.493346 0.005374 Ni\n0.706912 0.180179 0.366748 O\n0.043597 0.801981 0.367649 O\n0.285732 0.823694 0.638306 O\n0.129212 0.521627 0.130677 O\n0.764521 0.805794 0.133367 O\n0.532452 0.812038 0.864818 O\n0.393731 0.524785 0.367356 O\n0.618650 0.500970 0.628932 O\n0.477431 0.178249 0.136376 O\n0.870011 0.493142 0.864705 O\n0.224521 0.188783 0.866152 O\n0.964381 0.192233 0.633370 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 5.288143473084886,
"density_atomic": 0.119790799688013,
"volume": 200.34927609220716,
"volume_molar": 5.027214757464059,
"formula_full": "Li5 Co2 Ni5 O12",
"formula_reduced": "Li5Co2Ni5O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.2876164916666664,
"spacegroup": 5
},
{
"id": "jvasp-117703",
"created_at": "2022-09-04T14:38:51.546685Z",
"updated_at": "2022-09-04T14:38:51.546700Z",
"structure_string": "Be2 S1\n1.0\n3.250299 -0.604954 -0.013767\n2.612582 -3.755089 -0.586258\n0.618913 0.159771 -4.263215\nBe S\n2 1\ndirect\n0.439741 0.346753 0.337151 Be\n0.467431 0.008477 0.760733 Be\n0.040053 0.886368 0.047938 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Be",
"S"
],
"chemical_system": "Be-S",
"density": 1.816791034568306,
"density_atomic": 0.06552870992007803,
"volume": 45.7814598159943,
"volume_molar": 9.190079840340047,
"formula_full": "Be2 S1",
"formula_reduced": "Be2S",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5742774000000002,
"spacegroup": 5
},
{
"id": "jvasp-116888",
"created_at": "2022-09-04T14:38:51.544533Z",
"updated_at": "2022-09-04T14:38:51.544563Z",
"structure_string": "Li5 Mn5 Sn2 O12\n1.0\n5.321577 -0.040792 0.493416\n-2.729315 4.568554 0.493416\n0.074343 0.129851 10.131786\nLi Mn Sn O\n5 5 2 12\ndirect\n0.807861 0.675477 0.250323 Li\n0.667766 0.824434 0.744942 Li\n0.324522 0.192138 0.749678 Li\n0.175565 0.332232 0.255060 Li\n0.079185 0.920812 0.500001 Li\n0.915468 0.084533 0.000000 Mn\n0.005465 0.513834 0.740030 Mn\n0.486164 0.994533 0.259971 Mn\n0.580368 0.419631 0.000000 Mn\n0.422821 0.577178 0.500001 Mn\n0.247768 0.752230 0.000000 Sn\n0.753688 0.246312 0.500001 Sn\n0.202570 0.023689 0.126930 O\n0.060188 0.230022 0.616134 O\n0.769977 0.939811 0.383868 O\n0.877228 0.382273 0.123886 O\n0.617727 0.122772 0.876115 O\n0.691434 0.526689 0.615004 O\n0.473310 0.308565 0.384997 O\n0.524950 0.708705 0.122832 O\n0.291294 0.475048 0.877169 O\n0.395631 0.847274 0.610863 O\n0.152724 0.604367 0.389139 O\n0.976310 0.797429 0.873072 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn",
"density": 5.017458351835507,
"density_atomic": 0.09815542692612084,
"volume": 244.5101687353895,
"volume_molar": 6.135311055732779,
"formula_full": "Li5 Mn5 Sn2 O12",
"formula_reduced": "Li5Mn5(SnO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.817820066954023,
"spacegroup": 5
},
{
"id": "jvasp-123688",
"created_at": "2022-09-04T14:38:52.745697Z",
"updated_at": "2022-09-04T14:38:52.745721Z",
"structure_string": "Se2 O1\n1.0\n1.838572 -3.402694 0.029554\n2.027535 3.511792 0.000000\n0.034759 -0.020068 4.408377\nSe O\n2 1\ndirect\n0.746207 0.783059 0.473363 Se\n0.253792 0.036852 0.859971 Se\n-0.000000 0.180087 0.166667 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Se",
"O"
],
"chemical_system": "O-Se",
"density": 4.905521187703391,
"density_atomic": 0.05095763745227018,
"volume": 58.87243110142166,
"volume_molar": 11.817935565872103,
"formula_full": "Se2 O1",
"formula_reduced": "Se2O",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 5
},
{
"id": "jvasp-119613",
"created_at": "2022-09-04T14:38:52.149924Z",
"updated_at": "2022-09-04T14:38:52.149937Z",
"structure_string": "Tm1 H9 C5 N2 O8\n1.0\n6.358996 0.099236 1.768384\n2.407522 5.886469 1.768384\n0.116592 0.079608 6.485290\nTm H C N O\n1 9 5 2 8\ndirect\n0.545945 0.454056 -0.000001 Tm\n0.749011 0.805266 0.599649 H\n0.194734 0.250989 0.400349 H\n0.044633 0.703382 0.472588 H\n0.296618 0.955367 0.527411 H\n0.997273 -0.017703 0.176385 H\n0.017703 0.002728 0.823614 H\n0.353849 0.012615 0.113089 H\n-0.012616 0.646152 0.886910 H\n0.634951 0.365050 0.499999 H\n0.478587 0.521413 0.499999 C\n0.006877 0.519386 0.041793 C\n0.480614 0.993123 0.958206 C\n0.019428 0.158821 0.703847 C\n0.841179 0.980572 0.296151 C\n0.878848 0.815714 0.469508 N\n0.184287 0.121152 0.530491 N\n0.397947 0.612370 0.669929 O\n0.387631 0.602053 0.330070 O\n0.531627 0.816702 0.879365 O\n0.183299 0.468373 0.120634 O\n0.645976 0.126713 0.264133 O\n0.873288 0.354025 0.735865 O\n0.857092 0.436106 0.129414 O\n0.563894 0.142909 0.870584 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Tm",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Tm",
"density": 2.7326840757524438,
"density_atomic": 0.10440214485492412,
"volume": 239.45868195274798,
"volume_molar": 5.768215555694081,
"formula_full": "Tm1 H9 C5 N2 O8",
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"formula_anonymous": "AB2C5D8E9",
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"spacegroup": 5
},
{
"id": "jvasp-120742",
"created_at": "2022-09-04T14:38:52.148025Z",
"updated_at": "2022-09-04T14:38:52.148039Z",
"structure_string": "Li1 Mn5 Cu2 O12\n1.0\n4.987137 -0.078421 -0.320065\n2.169687 4.491119 0.320064\n-0.009678 0.015697 9.041874\nLi Mn Cu O\n1 5 2 12\ndirect\n0.920451 0.920452 0.750000 Li\n0.082705 0.082705 0.250000 Mn\n0.425049 0.425050 0.250000 Mn\n0.575653 0.575654 0.750000 Mn\n0.512188 -0.003835 0.511088 Mn\n-0.003836 0.512189 0.988912 Mn\n0.243983 0.243984 0.750000 Cu\n0.752890 0.752891 0.250000 Cu\n0.665807 0.799795 0.885597 O\n0.762486 0.415835 0.141812 O\n0.748517 0.089989 0.358678 O\n0.415835 0.762486 0.358188 O\n0.552008 0.262581 0.635882 O\n0.089989 0.748518 0.141322 O\n0.262580 0.552009 0.864118 O\n0.316600 0.188418 0.122236 O\n0.915882 0.269694 0.860776 O\n0.188417 0.316600 0.377764 O\n0.269693 0.915883 0.639223 O\n0.799794 0.665808 0.614403 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
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"density": 4.889595203807331,
"density_atomic": 0.09803577517987634,
"volume": 204.0071592569543,
"volume_molar": 6.142799145465579,
"formula_full": "Li1 Mn5 Cu2 O12",
"formula_reduced": "LiMn5(CuO6)2",
"formula_anonymous": "AB2C5D12",
"energy_above_hull": 3.080297955344827,
"spacegroup": 5
},
{
"id": "jvasp-117701",
"created_at": "2022-09-04T14:38:52.951587Z",
"updated_at": "2022-09-04T14:38:52.951622Z",
"structure_string": "Be1 S2\n1.0\n3.479537 -0.767928 0.236691\n0.449762 -4.571719 -0.559342\n-0.476235 -0.704272 -3.468761\nBe S\n1 2\ndirect\n0.005791 0.824830 0.077285 Be\n0.617310 0.565632 0.081879 S\n0.000159 0.084418 0.465143 S\n",
"nsites": 3,
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"elements": [
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],
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"density": 2.3439944014893572,
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"volume": 51.81558904329949,
"volume_molar": 10.401359026035442,
"formula_full": "Be1 S2",
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"spacegroup": 5
},
{
"id": "jvasp-118827",
"created_at": "2022-09-04T14:38:53.048854Z",
"updated_at": "2022-09-04T14:38:53.048870Z",
"structure_string": "As1 C3\n1.0\n6.931047 -1.479412 -0.370392\n0.127341 -3.508898 -0.323752\n-1.920823 -1.651422 -2.041825\nAs C\n1 3\ndirect\n0.475345 0.355324 0.105288 As\n0.242402 0.121820 0.056733 C\n0.975500 0.493853 0.605144 C\n0.708660 0.842438 0.153166 C\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.9016469804791027,
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"volume": 47.22184102140176,
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"formula_full": "As1 C3",
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"energy_above_hull": 5.3656754375,
"spacegroup": 5
},
{
"id": "jvasp-119386",
"created_at": "2022-09-04T14:38:52.638212Z",
"updated_at": "2022-09-04T14:38:52.638236Z",
"structure_string": "Li5 Mn2 Ni5 O12\n1.0\n4.993132 0.014220 0.454945\n-2.623052 4.248666 0.454945\n-0.007866 -0.014149 9.582469\nLi Mn Ni O\n5 2 5 12\ndirect\n0.830625 0.666326 0.255522 Li\n0.673823 0.834399 0.742960 Li\n0.333674 0.169375 0.744477 Li\n0.165601 0.326177 0.257039 Li\n0.084733 0.915268 0.500000 Li\n0.746850 0.253149 0.500000 Mn\n0.250160 0.749841 -0.000001 Mn\n0.581558 0.418442 -0.000001 Ni\n0.487373 0.995378 0.256677 Ni\n0.419442 0.580559 0.500000 Ni\n0.916017 0.083983 -0.000000 Ni\n0.004623 0.512627 0.743322 Ni\n0.215455 0.024106 0.118930 O\n0.033494 0.232873 0.618427 O\n0.767127 0.966506 0.381573 O\n0.878142 0.383796 0.115010 O\n0.616204 0.121858 0.884989 O\n0.707453 0.524724 0.617151 O\n0.475276 0.292547 0.382848 O\n0.528112 0.709451 0.114933 O\n0.290549 0.471889 0.885066 O\n0.401716 0.883903 0.617459 O\n0.116098 0.598285 0.382540 O\n0.975893 0.784545 0.881069 O\n",
"nsites": 24,
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"elements": [
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"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 5.135881502205599,
"density_atomic": 0.11781712013130109,
"volume": 203.70553934142373,
"volume_molar": 5.11143096460738,
"formula_full": "Li5 Mn2 Ni5 O12",
"formula_reduced": "Li5Mn2Ni5O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.385633686781609,
"spacegroup": 5
},
{
"id": "jvasp-117718",
"created_at": "2022-09-04T14:38:53.449194Z",
"updated_at": "2022-09-04T14:38:53.449215Z",
"structure_string": "Bi1 O1 F2\n1.0\n3.516459 -2.129211 0.154582\n3.516459 2.129211 0.154582\n-0.461581 0.000000 4.109229\nBi O F\n1 1 2\ndirect\n-0.089918 0.089918 0.000000 Bi\n0.838322 0.161678 0.499999 O\n0.537604 0.795009 0.939880 F\n0.204992 0.462397 0.060118 F\n",
"nsites": 4,
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"elements": [
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"F"
],
"chemical_system": "Bi-F-O",
"density": 7.061750932959199,
"density_atomic": 0.06468538586333814,
"volume": 61.83776979317809,
"volume_molar": 9.309893849474863,
"formula_full": "Bi1 O1 F2",
"formula_reduced": "BiOF2",
"formula_anonymous": "ABC2",
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"spacegroup": 5
}
]
}