HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=441",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=439",
"results": [
{
"id": "jvasp-106777",
"created_at": "2022-09-04T14:36:48.193209Z",
"updated_at": "2022-09-04T14:36:48.193218Z",
"structure_string": "Mn4 Fe1 O5\n1.0\n3.094403 0.063969 -10.884734\n0.001378 3.095063 -10.884734\n-0.062688 -0.063969 11.315866\nMn Fe O\n4 1 5\ndirect\n0.403888 0.403888 -0.000000 Mn\n0.800931 0.800931 -0.000000 Mn\n0.199069 0.199069 -0.000000 Mn\n0.596111 0.596111 -0.000000 Mn\n0.000000 0.000000 0.000000 Fe\n0.099543 0.099543 -0.000000 O\n0.500000 0.500000 -0.000000 O\n0.900457 0.900456 -0.000000 O\n0.300997 0.300997 -0.000000 O\n0.699003 0.699002 -0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 5.66931158044702,
"density_atomic": 0.09601223608763382,
"volume": 104.15339135391703,
"volume_molar": 6.272263833646553,
"formula_full": "Mn4 Fe1 O5",
"formula_reduced": "Mn4FeO5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 3.758939196551723,
"spacegroup": 139
},
{
"id": "jvasp-107425",
"created_at": "2022-09-04T14:36:58.763047Z",
"updated_at": "2022-09-04T14:36:58.763065Z",
"structure_string": "Li2 Fe2 F6\n1.0\n5.037660 0.007016 0.001787\n-2.524820 4.360595 0.003969\n-0.001580 -0.005391 4.737510\nLi Fe F\n2 2 6\ndirect\n-0.000003 0.000009 0.431646 Li\n-0.000014 -0.000001 0.931646 Li\n0.333317 0.666642 0.931671 Fe\n0.666674 0.333359 0.431674 Fe\n0.315410 -0.000015 0.681653 F\n-0.000008 0.315401 0.681664 F\n0.315394 0.315402 0.181650 F\n0.684591 0.684605 0.681666 F\n-0.000024 0.684599 0.181659 F\n0.684565 0.000005 0.181673 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.819375612153406,
"density_atomic": 0.0960117936546851,
"volume": 104.1538713042471,
"volume_molar": 6.272292736931009,
"formula_full": "Li2 Fe2 F6",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2936332695000001,
"spacegroup": 182
},
{
"id": "jvasp-59594",
"created_at": "2022-09-04T14:38:33.705355Z",
"updated_at": "2022-09-04T14:38:33.705380Z",
"structure_string": "Pr1 Mn7 O12\n1.0\n6.108468 0.013719 -2.126765\n-3.030547 5.309515 -2.112231\n-0.031071 -0.070892 6.467746\nPr Mn O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000001 0.500002 0.500002 Mn\n0.500000 0.000000 0.500002 Mn\n0.500001 0.500001 0.500001 Mn\n0.000000 0.000001 0.500000 Mn\n0.000001 0.500000 0.000000 Mn\n0.500000 0.000000 1.000000 Mn\n0.500000 0.500000 0.000001 Mn\n0.131573 0.307369 0.824221 O\n0.483149 0.307354 0.175781 O\n0.175780 0.868420 0.692635 O\n0.692633 0.824222 0.516855 O\n0.307367 0.175781 0.483146 O\n0.692635 0.175782 0.868418 O\n0.307367 0.824218 0.131584 O\n0.824214 0.516853 0.692634 O\n0.824219 0.131582 0.307367 O\n0.175787 0.483149 0.307368 O\n0.868426 0.692630 0.175780 O\n0.516851 0.692647 0.824222 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Pr",
"density": 5.719113837976214,
"density_atomic": 0.09600809472103916,
"volume": 208.31576814550837,
"volume_molar": 6.272534391498877,
"formula_full": "Pr1 Mn7 O12",
"formula_reduced": "PrMn7O12",
"formula_anonymous": "AB7C12",
"energy_above_hull": 3.7087186269827583,
"spacegroup": 204
},
{
"id": "jvasp-121008",
"created_at": "2022-09-04T14:38:51.599401Z",
"updated_at": "2022-09-04T14:38:51.599419Z",
"structure_string": "P1 H1 F1\n1.0\n3.690926 0.000000 0.000000\n-1.845463 3.196436 -0.000000\n-0.000000 0.000000 2.648589\nP H F\n1 1 1\ndirect\n0.666669 0.333334 0.000000 P\n0.333335 0.666668 0.000000 H\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"P",
"H",
"F"
],
"chemical_system": "F-H-P",
"density": 2.709155307075402,
"density_atomic": 0.09600753789076438,
"volume": 31.24754645216863,
"volume_molar": 6.272570771319937,
"formula_full": "P1 H1 F1",
"formula_reduced": "PHF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.607678594166667,
"spacegroup": 187
},
{
"id": "jvasp-44052",
"created_at": "2022-09-04T14:36:43.194214Z",
"updated_at": "2022-09-04T14:36:43.194230Z",
"structure_string": "Mg6 W2 O12\n1.0\n0.000000 5.137326 0.003650\n5.333028 0.000000 0.000000\n0.000000 -5.110785 -7.607233\nMg W O\n6 2 12\ndirect\n0.500000 0.500000 0.500000 Mg\n0.731591 0.948040 0.737381 Mg\n0.268407 0.448040 0.762618 Mg\n0.500000 0.000000 0.000000 Mg\n0.731592 0.551960 0.237381 Mg\n0.268408 0.051960 0.262619 Mg\n0.000000 0.500000 0.000000 W\n-0.000001 0.000000 0.500000 W\n0.628925 0.824552 0.444796 O\n0.371075 0.324552 0.055204 O\n0.752405 0.304754 0.417885 O\n0.109041 0.074435 0.737671 O\n0.890959 0.925565 0.262328 O\n0.752404 0.195246 0.917885 O\n0.628924 0.675449 0.944795 O\n0.371075 0.175449 0.555204 O\n0.247595 0.804755 0.082114 O\n0.109041 0.425565 0.237671 O\n0.247595 0.695246 0.582114 O\n0.890958 0.574435 0.762328 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"W",
"O"
],
"chemical_system": "Mg-O-W",
"density": 5.623639614456742,
"density_atomic": 0.09600627907777012,
"volume": 208.31970775368714,
"volume_molar": 6.2726530158738365,
"formula_full": "Mg6 W2 O12",
"formula_reduced": "Mg3WO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.098791815,
"spacegroup": 14
},
{
"id": "jvasp-42270",
"created_at": "2022-09-04T14:35:54.489921Z",
"updated_at": "2022-09-04T14:35:54.489947Z",
"structure_string": "Fe8 O8 F8\n1.0\n0.000000 4.596342 -0.020383\n4.574081 0.000000 0.000000\n0.000000 0.036601 -11.891811\nFe O F\n8 8 8\ndirect\n0.294548 0.010577 0.314531 Fe\n0.220324 0.949975 0.060488 Fe\n0.279157 0.013248 0.811564 Fe\n0.282931 0.016101 0.558823 Fe\n0.779675 0.449976 0.939512 Fe\n0.717068 0.516101 0.441177 Fe\n0.720842 0.513248 0.188436 Fe\n0.705451 0.510577 0.685469 Fe\n0.065142 0.168693 0.937423 O\n0.934857 0.668692 0.062577 O\n0.557576 0.333488 0.319468 O\n0.541813 0.315359 0.556457 O\n0.572754 0.290563 0.815192 O\n0.458186 0.815359 0.443543 O\n0.442424 0.833488 0.680532 O\n0.427245 0.790563 0.184808 O\n0.473661 0.754215 0.935849 F\n0.526338 0.254216 0.064151 F\n0.973100 0.707331 0.807164 F\n0.955427 0.720036 0.560430 F\n0.946584 0.720414 0.323114 F\n0.053416 0.220414 0.676886 F\n0.044572 0.220036 0.439570 F\n0.026899 0.207331 0.192836 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.826933929042292,
"density_atomic": 0.09599596626040041,
"volume": 250.01050497160642,
"volume_molar": 6.2733268850737245,
"formula_full": "Fe8 O8 F8",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1156130941666669,
"spacegroup": 4
},
{
"id": "jvasp-43656",
"created_at": "2022-09-04T14:35:43.637009Z",
"updated_at": "2022-09-04T14:35:43.637037Z",
"structure_string": "Co4 P4 O16\n1.0\n4.693826 0.000000 0.000000\n-0.000000 6.333415 0.000000\n0.000000 0.000000 8.410194\nCo P O\n4 4 16\ndirect\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.462267 0.749999 0.820366 P\n0.962268 0.250000 0.679634 P\n0.037733 0.749999 0.320366 P\n0.537734 0.250000 0.179634 P\n0.685651 0.045250 0.125364 O\n0.079031 0.749999 0.131333 O\n0.579031 0.250000 0.368666 O\n0.185651 0.545249 0.374636 O\n0.185651 0.954750 0.374636 O\n0.725717 0.749999 0.375520 O\n0.274284 0.250000 0.624480 O\n0.920970 0.250000 0.868666 O\n0.814350 0.454750 0.625363 O\n0.420969 0.749999 0.631333 O\n0.685651 0.454750 0.125364 O\n0.314350 0.954750 0.874636 O\n0.314350 0.545249 0.874636 O\n0.774284 0.749999 0.875520 O\n0.814350 0.045250 0.625363 O\n0.225716 0.250000 0.124480 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 4.088741191081116,
"density_atomic": 0.09599316149843325,
"volume": 250.01780986650508,
"volume_molar": 6.273510181345876,
"formula_full": "Co4 P4 O16",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6592234,
"spacegroup": 62
},
{
"id": "jvasp-31206",
"created_at": "2022-09-04T14:37:40.338445Z",
"updated_at": "2022-09-04T14:37:40.338465Z",
"structure_string": "Mg2 Ga4 O8\n1.0\n5.903057 0.016009 0.031490\n2.965393 5.104193 0.031490\n2.981861 1.721578 4.869359\nMg Ga O\n2 4 8\ndirect\n0.125000 0.625000 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.990193 0.990192 0.009808 Ga\n0.259808 0.259808 0.240192 Ga\n0.625000 0.625000 0.125000 Ga\n0.625000 0.625000 0.625000 Ga\n0.386838 0.386838 0.373431 O\n0.386838 0.386838 0.852892 O\n0.387745 0.859927 0.376164 O\n0.859928 0.387745 0.376164 O\n0.390072 0.862255 0.873836 O\n0.862255 0.390072 0.873836 O\n0.863162 0.863162 0.397108 O\n0.863162 0.863162 0.876569 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"O"
],
"chemical_system": "Ga-Mg-O",
"density": 5.186048114226451,
"density_atomic": 0.09599083471844803,
"volume": 145.84725761645456,
"volume_molar": 6.273662248759082,
"formula_full": "Mg2 Ga4 O8",
"formula_reduced": "Mg(GaO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9549610999999996,
"spacegroup": 74
},
{
"id": "jvasp-36864",
"created_at": "2022-09-04T14:38:12.845055Z",
"updated_at": "2022-09-04T14:38:12.845077Z",
"structure_string": "Co6 O4 F8\n1.0\n0.000000 4.688441 -0.001722\n2.902761 0.000000 0.000000\n0.000000 -0.004639 -13.779314\nCo O F\n6 4 8\ndirect\n0.073186 0.000000 0.008706 Co\n0.926813 0.000000 0.324627 Co\n0.000000 0.000000 0.666666 Co\n0.499999 0.500000 0.166667 Co\n0.426809 0.500000 0.508705 Co\n0.573191 0.500000 0.824628 Co\n0.232971 0.500000 0.069329 O\n0.267027 0.000000 0.569329 O\n0.767030 0.500000 0.264005 O\n0.732972 0.000000 0.764005 O\n0.119939 0.500000 0.399641 F\n0.880059 0.500000 0.933692 F\n0.782571 0.500000 0.596724 F\n0.717430 0.000000 0.096727 F\n0.619936 0.000000 0.433688 F\n0.282570 0.000000 0.236607 F\n0.380063 0.000000 0.899645 F\n0.217428 0.500000 0.736609 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.043586691431441,
"density_atomic": 0.09598538692298621,
"volume": 187.5285455112275,
"volume_molar": 6.2740183199259905,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.6760445366666668,
"spacegroup": 58
},
{
"id": "jvasp-104134",
"created_at": "2022-09-04T14:37:02.863822Z",
"updated_at": "2022-09-04T14:37:02.863838Z",
"structure_string": "H10 C15 S2\n1.0\n3.891676 0.050191 0.132330\n-1.440103 5.684211 -0.019428\n0.164300 -0.751073 12.676510\nH C S\n10 15 2\ndirect\n0.581787 0.857071 0.142529 H\n0.829152 0.894359 0.319239 H\n0.438470 0.149330 0.349104 H\n0.924529 0.327017 0.049488 H\n0.078247 0.909797 0.475958 H\n0.182534 0.115763 0.173772 H\n0.079537 0.865585 0.679248 H\n0.588682 0.056630 0.745625 H\n0.082115 0.628943 0.036052 H\n0.273427 0.031582 0.934625 H\n0.330218 0.286651 0.204757 C\n0.694219 0.721643 0.287175 C\n0.553148 0.700305 0.187377 C\n0.648009 0.525541 0.349370 C\n0.361340 0.483834 0.145419 C\n0.472001 0.306294 0.304383 C\n0.168778 0.465092 0.043179 C\n0.943847 0.750919 0.513872 C\n0.749677 0.554674 0.459359 C\n0.644411 0.433590 0.760025 C\n0.357431 0.410623 0.941960 C\n0.945017 0.727845 0.623977 C\n0.545937 0.207790 0.794227 C\n0.382367 0.195415 0.896616 C\n0.752693 0.512139 0.655524 C\n0.540452 0.630495 0.857816 S\n0.571453 0.338118 0.546860 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.5015826861327033,
"density_atomic": 0.09598385742513775,
"volume": 281.2973006534828,
"volume_molar": 6.274118296086346,
"formula_full": "H10 C15 S2",
"formula_reduced": "H10C15S2",
"formula_anonymous": "A2B10C15",
"energy_above_hull": 5.698705185185185,
"spacegroup": 1
},
{
"id": "jvasp-42508",
"created_at": "2022-09-04T14:38:30.137796Z",
"updated_at": "2022-09-04T14:38:30.137806Z",
"structure_string": "V4 O6 F2\n1.0\n-4.609103 0.087166 0.000000\n-0.086582 4.655766 -2.914089\n0.086582 -4.655766 -2.914089\nV O F\n4 6 2\ndirect\n0.500000 0.000000 0.500000 V\n0.499999 0.500001 -0.000000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.800294 0.153295 0.346705 O\n0.705092 0.155457 0.851553 O\n0.705092 0.648448 0.344543 O\n0.294907 0.844544 0.148447 O\n0.294908 0.351553 0.655457 O\n0.199705 0.846706 0.653295 O\n0.788071 0.651865 0.848135 F\n0.211928 0.348136 0.151865 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.48609735641392,
"density_atomic": 0.09598285135972409,
"volume": 125.02233294806439,
"volume_molar": 6.274184059640246,
"formula_full": "V4 O6 F2",
"formula_reduced": "V2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.49019986375,
"spacegroup": 12
},
{
"id": "jvasp-98344",
"created_at": "2022-09-04T14:36:04.286986Z",
"updated_at": "2022-09-04T14:36:04.287002Z",
"structure_string": "Na8 Cr4 H32 O32\n1.0\n5.910611 0.000000 -1.576577\n0.000000 11.070363 0.000000\n0.011922 0.000000 12.098304\nNa Cr H O\n8 4 32 32\ndirect\n0.244465 0.926631 0.996047 Na\n0.755534 0.426631 0.503952 Na\n0.755534 0.073369 0.003952 Na\n0.244465 0.573369 0.496047 Na\n0.476154 0.820096 0.608064 Na\n0.523845 0.320096 0.891935 Na\n0.523846 0.179904 0.391935 Na\n0.476154 0.679904 0.108064 Na\n0.265108 0.398827 0.239702 Cr\n0.734892 0.898827 0.260297 Cr\n0.265108 0.101173 0.739702 Cr\n0.734891 0.601173 0.760297 Cr\n0.905286 0.189428 0.824040 H\n0.992123 0.293174 0.912584 H\n0.007877 0.793174 0.587415 H\n0.094714 0.810571 0.175960 H\n0.905286 0.310572 0.324040 H\n0.094714 0.689428 0.675960 H\n0.893853 0.990641 0.809605 H\n0.799880 0.868262 0.846544 H\n0.200119 0.368262 0.653455 H\n0.106146 0.009359 0.190395 H\n0.893853 0.509358 0.309605 H\n0.992123 0.206826 0.412584 H\n0.106146 0.490641 0.690394 H\n0.200119 0.131738 0.153455 H\n0.007877 0.706826 0.087415 H\n0.799881 0.631738 0.346544 H\n0.538191 0.247506 0.629351 H\n0.461808 0.747506 0.870648 H\n0.864163 0.522752 0.113855 H\n0.864163 0.977247 0.613855 H\n0.135836 0.477248 0.886144 H\n0.253222 0.060953 0.514068 H\n0.746777 0.560953 0.985931 H\n0.746777 0.939046 0.485931 H\n0.135836 0.022752 0.386144 H\n0.223857 0.803774 0.372974 H\n0.776142 0.303774 0.127025 H\n0.776142 0.196225 0.627025 H\n0.223857 0.696225 0.872974 H\n0.461808 0.752494 0.370648 H\n0.253222 0.439046 0.014068 H\n0.538192 0.252494 0.129351 H\n0.878260 0.555757 0.376837 O\n0.797256 0.592536 0.065241 O\n0.797256 0.907464 0.565241 O\n0.202744 0.407464 0.934758 O\n0.350246 0.753788 0.417327 O\n0.649754 0.253788 0.082673 O\n0.871845 0.269134 0.389827 O\n0.350246 0.746211 0.917327 O\n0.128155 0.769134 0.110172 O\n0.871845 0.230865 0.889827 O\n0.128154 0.730865 0.610172 O\n0.121740 0.055757 0.123163 O\n0.202744 0.092536 0.434758 O\n0.649753 0.246212 0.582672 O\n0.979685 0.406321 0.211792 O\n0.340675 0.259576 0.212288 O\n0.020315 0.593678 0.788207 O\n0.979685 0.093679 0.711792 O\n0.352089 0.494089 0.155550 O\n0.647911 0.994089 0.344449 O\n0.647911 0.505910 0.844449 O\n0.352088 0.005910 0.655550 O\n0.659324 0.759575 0.287712 O\n0.659324 0.740424 0.787711 O\n0.340675 0.240424 0.712288 O\n0.377675 0.428940 0.375506 O\n0.622325 0.928939 0.124494 O\n0.622325 0.571060 0.624494 O\n0.377675 0.071060 0.875505 O\n0.878259 0.944242 0.876837 O\n0.020315 0.906321 0.288207 O\n0.121740 0.444243 0.623162 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Na",
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-Na-O",
"density": 1.9631606391114833,
"density_atomic": 0.0959799944849702,
"volume": 791.8316770887195,
"volume_molar": 6.274370812704126,
"formula_full": "Na8 Cr4 H32 O32",
"formula_reduced": "Na2Cr(HO)8",
"formula_anonymous": "AB2C8D8",
"energy_above_hull": 2.794647547368421,
"spacegroup": 14
}
]
}