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=structure_string&page=1067",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=1065",
"results": [
{
"id": "jvasp-31200",
"created_at": "2022-09-04T14:38:03.014027Z",
"updated_at": "2022-09-04T14:38:03.014055Z",
"structure_string": "Co4 Ni2 O8\n1.0\n5.745746 -0.006125 0.007680\n2.867569 4.966775 0.000000\n2.877376 1.649929 4.691709\nCo Ni O\n4 2 8\ndirect\n0.129512 0.120488 0.129512 Co\n0.500001 -0.000000 0.500000 Co\n0.500001 0.500000 0.500000 Co\n0.870490 0.879512 0.870488 Co\n0.000000 0.500001 0.500000 Ni\n0.500000 0.500000 -0.000000 Ni\n0.264080 0.251613 0.264080 O\n0.267238 0.256823 0.719117 O\n0.264080 0.720227 0.264080 O\n0.719118 0.256822 0.267238 O\n0.280883 0.743178 0.732763 O\n0.735921 0.279773 0.735920 O\n0.732763 0.743177 0.280883 O\n0.735921 0.748388 0.735920 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Ni-O",
"density": 5.966459263932135,
"density_atomic": 0.10455550867522952,
"volume": 133.90016630770572,
"volume_molar": 5.759754637802952,
"formula_full": "Co4 Ni2 O8",
"formula_reduced": "Co2NiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6529183142857145,
"spacegroup": 74
},
{
"id": "jvasp-23835",
"created_at": "2022-09-04T14:37:36.620385Z",
"updated_at": "2022-09-04T14:37:36.620412Z",
"structure_string": "Co4 Ni2 S8\n1.0\n5.733981 0.000000 3.310516\n1.911327 5.406049 3.310516\n0.000000 0.000000 6.621031\nCo Ni S\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.875000 0.875000 0.875001 Ni\n0.125000 0.125000 0.125000 Ni\n0.740877 0.740877 0.740878 S\n0.259123 0.259123 0.722630 S\n0.259123 0.722630 0.259123 S\n0.722630 0.259123 0.259124 S\n0.740877 0.277370 0.740877 S\n0.277371 0.740877 0.740877 S\n0.259123 0.259123 0.259123 S\n0.740877 0.740877 0.277371 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Co",
"Ni",
"S"
],
"chemical_system": "Co-Ni-S",
"density": 4.932424020512403,
"density_atomic": 0.06821284872893935,
"volume": 205.23992562797764,
"volume_molar": 8.828455155025805,
"formula_full": "Co4 Ni2 S8",
"formula_reduced": "Co2NiS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3965891714285714,
"spacegroup": 227
},
{
"id": "jvasp-48377",
"created_at": "2022-09-04T14:36:46.325826Z",
"updated_at": "2022-09-04T14:36:46.325853Z",
"structure_string": "Co4 O2 F6\n1.0\n-0.120215 4.613947 3.013126\n-0.120215 4.613947 -3.013126\n-4.613947 0.120215 -3.013126\nCo O F\n4 2 6\ndirect\n0.250000 0.250000 0.500000 Co\n0.749999 0.750001 0.499999 Co\n-0.000001 0.960324 0.039677 Co\n0.499999 0.539678 0.960322 Co\n0.499999 0.827195 0.672806 O\n-0.000001 0.672808 0.327193 O\n0.046378 0.750001 0.796379 F\n0.546378 0.250000 0.796379 F\n-0.000001 0.277998 0.722003 F\n0.500000 0.222003 0.277997 F\n0.953621 0.250001 0.203620 F\n0.453621 0.750001 0.203620 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.944230567436954,
"density_atomic": 0.09360168656673921,
"volume": 128.20281813451987,
"volume_molar": 6.433795138622995,
"formula_full": "Co4 O2 F6",
"formula_reduced": "Co2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3076143579166668,
"spacegroup": 74
},
{
"id": "jvasp-111885",
"created_at": "2022-09-04T14:38:41.247792Z",
"updated_at": "2022-09-04T14:38:41.247818Z",
"structure_string": "Co4 O2 F6\n1.0\n4.617451 -0.008068 -0.007452\n-0.250874 4.610606 -0.007585\n0.009612 0.010291 6.028222\nCo O F\n4 2 6\ndirect\n0.961287 0.961287 -0.000008 Co\n0.038713 0.038713 0.500009 Co\n0.500000 0.500000 0.250000 Co\n0.500000 0.500000 0.750000 Co\n0.326556 0.326554 0.500007 O\n0.673444 0.673445 -0.000006 O\n0.278350 0.278356 0.000014 F\n0.721650 0.721644 0.499986 F\n0.203568 0.796432 0.250000 F\n0.203578 0.796425 0.750001 F\n0.796434 0.203570 0.250001 F\n0.796421 0.203575 0.750000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.9395300341652355,
"density_atomic": 0.09351269843481556,
"volume": 128.32481792154442,
"volume_molar": 6.439917637707593,
"formula_full": "Co4 O2 F6",
"formula_reduced": "Co2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.30807269125,
"spacegroup": 63
},
{
"id": "jvasp-107384",
"created_at": "2022-09-04T14:38:45.902189Z",
"updated_at": "2022-09-04T14:38:45.902216Z",
"structure_string": "Co4 O4\n1.0\n4.066605 -0.002801 1.814819\n0.812784 3.984566 -1.814871\n0.002637 -0.003196 5.456258\nCo O\n4 4\ndirect\n0.000028 -0.000026 -0.000011 Co\n0.250027 0.249972 0.499988 Co\n0.500033 0.499976 -0.000012 Co\n0.750026 0.749968 0.499988 Co\n0.874989 0.125031 0.750009 O\n0.124973 0.375015 0.250012 O\n0.374964 0.625029 0.750013 O\n0.624965 0.875039 0.250016 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.631752928344382,
"density_atomic": 0.09052191205109722,
"volume": 88.37639217656177,
"volume_molar": 6.652688419352722,
"formula_full": "Co4 O4",
"formula_reduced": "CoO",
"formula_anonymous": "AB",
"energy_above_hull": 1.4939622,
"spacegroup": 216
},
{
"id": "jvasp-48114",
"created_at": "2022-09-04T14:35:42.038811Z",
"updated_at": "2022-09-04T14:35:42.038838Z",
"structure_string": "Co4 O4 F4\n1.0\n4.441999 -0.000000 0.000000\n-0.000000 4.441999 -0.000000\n-0.000000 -0.000000 5.994310\nCo O F\n4 4 4\ndirect\n0.030421 0.030421 0.000000 Co\n0.969579 0.969579 0.500000 Co\n0.469579 0.530421 0.250000 Co\n0.530421 0.469579 0.750000 Co\n0.819226 0.180774 0.750000 O\n0.680774 0.680774 0.500000 O\n0.319226 0.319226 0.000000 O\n0.180774 0.819226 0.250000 O\n0.779223 0.220777 0.250000 F\n0.720777 0.720777 0.000000 F\n0.279223 0.279223 0.500000 F\n0.220777 0.779223 0.750000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.274993325543087,
"density_atomic": 0.10145772833528417,
"volume": 118.27585928539595,
"volume_molar": 5.935615609388396,
"formula_full": "Co4 O4 F4",
"formula_reduced": "CoOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1593582275,
"spacegroup": 92
},
{
"id": "jvasp-117322",
"created_at": "2022-09-04T14:38:26.269677Z",
"updated_at": "2022-09-04T14:38:26.269705Z",
"structure_string": "Co4 O6 F2\n1.0\n5.058800 -0.038816 -1.379258\n2.438566 4.180510 2.018121\n-0.052686 0.036558 5.243286\nCo O F\n4 6 2\ndirect\n0.472737 0.249996 0.222738 Co\n0.527264 0.750003 0.777263 Co\n-0.000000 0.500000 0.500000 Co\n-0.000000 0.000000 0.000000 Co\n0.815941 0.750007 0.065953 O\n0.184059 0.249993 0.934047 O\n0.304377 0.195617 0.499990 O\n0.304377 0.695615 0.999994 O\n0.695623 0.804383 0.500011 O\n0.695623 0.304385 0.000006 O\n0.781403 0.249993 0.531420 F\n0.218597 0.750007 0.468581 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.551668456052951,
"density_atomic": 0.10851148191867462,
"volume": 110.58737552762905,
"volume_molar": 5.549772847553012,
"formula_full": "Co4 O6 F2",
"formula_reduced": "Co2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.309182097083333,
"spacegroup": 74
},
{
"id": "jvasp-112403",
"created_at": "2022-09-04T14:38:39.785868Z",
"updated_at": "2022-09-04T14:38:39.785886Z",
"structure_string": "Co4 O6 F2\n1.0\n5.077168 -0.039930 -1.310701\n2.596174 4.167676 1.839961\n-0.124375 0.016212 5.242063\nCo O F\n4 6 2\ndirect\n0.222736 0.249997 0.472732 Co\n0.777264 0.750001 0.527266 Co\n0.000000 -0.000001 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.065946 0.750015 0.815930 O\n0.500005 0.804393 0.695613 O\n0.000022 0.304395 0.695622 O\n0.499993 0.195608 0.304386 O\n-0.000026 0.695607 0.304376 O\n0.934052 0.249987 0.184070 O\n0.531521 0.249978 0.781466 F\n0.468477 0.750023 0.218533 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.5516099460551205,
"density_atomic": 0.10851033829732515,
"volume": 110.58854103946526,
"volume_molar": 5.549831338189136,
"formula_full": "Co4 O6 F2",
"formula_reduced": "Co2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.30914376375,
"spacegroup": 74
},
{
"id": "jvasp-9953",
"created_at": "2022-09-04T14:37:17.339053Z",
"updated_at": "2022-09-04T14:37:17.339084Z",
"structure_string": "Co4 O8\n1.0\n2.769779 0.000000 0.000000\n-1.384891 4.535004 -0.000000\n-0.000000 -0.000000 9.227363\nCo O\n4 8\ndirect\n0.865879 0.731759 0.074773 Co\n0.134121 0.268240 0.925227 Co\n0.865879 0.731759 0.425227 Co\n0.134121 0.268240 0.574772 Co\n0.235166 0.470330 0.391288 O\n0.764834 0.529669 0.608711 O\n0.764834 0.529669 0.891288 O\n0.235166 0.470330 0.108711 O\n0.944651 0.889300 0.250000 O\n0.055349 0.110699 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.211052032649787,
"density_atomic": 0.103533488490424,
"volume": 115.90452688271874,
"volume_molar": 5.816611463407803,
"formula_full": "Co4 O8",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.103592633333333,
"spacegroup": 63
},
{
"id": "jvasp-11292",
"created_at": "2022-09-04T14:37:11.821655Z",
"updated_at": "2022-09-04T14:37:11.821675Z",
"structure_string": "Co4 O8\n1.0\n2.847378 0.000093 0.000073\n1.423484 6.715071 -0.000819\n1.423501 0.026503 6.701476\nCo O\n4 8\ndirect\n0.831063 0.816418 0.516397 Co\n0.646978 0.516384 0.184599 Co\n0.347076 0.483252 0.817538 Co\n0.162993 0.183218 0.485736 Co\n0.539974 0.294524 0.620472 O\n0.836914 0.616989 0.704129 O\n0.157136 0.382650 0.298012 O\n0.454082 0.705111 0.381663 O\n0.199756 0.951310 0.644121 O\n0.152192 0.642940 0.047621 O\n0.794301 0.048327 0.358008 O\n0.841862 0.356695 0.954518 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 4.713730633446077,
"density_atomic": 0.09365267766030899,
"volume": 128.13301551852723,
"volume_molar": 6.430292128798628,
"formula_full": "Co4 O8",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0466193000000006,
"spacegroup": 87
},
{
"id": "jvasp-10063",
"created_at": "2022-09-04T14:37:30.644539Z",
"updated_at": "2022-09-04T14:37:30.644558Z",
"structure_string": "Co4 O8\n1.0\n5.091727 -0.559388 0.591368\n2.061420 4.689259 0.591368\n2.867232 1.655398 4.682170\nCo O\n4 8\ndirect\n0.124993 0.124994 0.875006 Co\n0.125006 0.125006 0.374994 Co\n0.625000 0.625000 0.125001 Co\n0.625000 0.625000 0.625001 Co\n0.319703 0.319703 0.430300 O\n0.430296 0.819705 0.375000 O\n0.319703 0.319703 0.930296 O\n0.819705 0.430296 0.375000 O\n0.430294 0.819704 0.875001 O\n0.819704 0.430295 0.875001 O\n0.930297 0.930296 0.319706 O\n0.930297 0.930297 0.819702 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.73439739268155,
"density_atomic": 0.11393134490595729,
"volume": 105.3265895342954,
"volume_molar": 5.285762899552247,
"formula_full": "Co4 O8",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0418326333333336,
"spacegroup": 136
},
{
"id": "jvasp-9109",
"created_at": "2022-09-04T14:37:05.739952Z",
"updated_at": "2022-09-04T14:37:05.739966Z",
"structure_string": "Co4 P12\n1.0\n6.341331 0.000000 -2.241999\n-3.170665 5.491753 -2.241999\n0.000000 0.000000 6.725997\nCo P\n4 12\ndirect\n0.500000 0.000000 -0.000000 Co\n0.000000 0.000000 0.500000 Co\n-0.000000 0.500000 -0.000000 Co\n0.499999 0.500000 0.500000 Co\n0.506997 0.854383 0.652614 P\n0.201768 0.854383 0.347385 P\n0.798231 0.145616 0.652615 P\n0.145616 0.347385 0.493002 P\n0.493001 0.145616 0.347385 P\n0.145616 0.652614 0.798231 P\n0.347385 0.201769 0.854384 P\n0.854383 0.652614 0.506998 P\n0.652614 0.798230 0.145616 P\n0.854383 0.347385 0.201769 P\n0.652614 0.506998 0.854384 P\n0.347385 0.493001 0.145616 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Co",
"P"
],
"chemical_system": "Co-P",
"density": 4.306144633169054,
"density_atomic": 0.06830805110801891,
"volume": 234.23300387678177,
"volume_molar": 8.816150749897535,
"formula_full": "Co4 P12",
"formula_reduced": "CoP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.92484185,
"spacegroup": 204
}
]
}