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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=4532",
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"results": [
{
"id": "jvasp-57863",
"created_at": "2022-09-04T14:38:29.269830Z",
"updated_at": "2022-09-04T14:38:29.269861Z",
"structure_string": "Al6 C3 N2\n1.0\n3.260769 0.005283 13.268744\n1.610949 2.835046 13.268744\n0.009061 0.005283 13.663531\nAl C N\n6 3 2\ndirect\n0.308459 0.308459 0.308459 Al\n0.912544 0.912543 0.912543 Al\n0.189135 0.189134 0.189134 Al\n0.810217 0.810216 0.810216 Al\n0.086801 0.086801 0.086801 Al\n0.690884 0.690883 0.690883 Al\n0.999673 0.999673 0.999672 C\n0.134525 0.134525 0.134525 C\n0.864822 0.864821 0.864821 C\n0.736020 0.736020 0.736020 N\n0.263324 0.263324 0.263324 N\n",
"nsites": 11,
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"elements": [
"Al",
"C",
"N"
],
"chemical_system": "Al-C-N",
"density": 2.983738069618139,
"density_atomic": 0.08748252018488113,
"volume": 125.73940458908999,
"volume_molar": 6.883821759218998,
"formula_full": "Al6 C3 N2",
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"formula_anonymous": "A2B3C6",
"energy_above_hull": 4.179226663636364,
"spacegroup": 166
},
{
"id": "jvasp-31825",
"created_at": "2022-09-04T14:37:59.133094Z",
"updated_at": "2022-09-04T14:37:59.133125Z",
"structure_string": "Al6 Br24\n1.0\n12.409016 0.000000 -0.000000\n6.204508 10.746522 -0.000000\n6.204508 3.582174 10.131918\nAl Br\n6 24\ndirect\n0.250000 0.250000 0.750000 Al\n0.750001 0.250000 0.750000 Al\n0.750001 0.750000 0.250000 Al\n0.250001 0.749999 0.750000 Al\n0.250000 0.750000 0.250000 Al\n0.750000 0.250000 0.250000 Al\n0.286756 0.067019 0.713245 Br\n0.786756 0.213244 0.567020 Br\n0.786756 0.567019 0.432981 Br\n0.713245 0.286755 0.067020 Br\n0.213245 0.432980 0.567020 Br\n0.432981 0.786755 0.567020 Br\n0.067020 0.713244 0.286755 Br\n0.432981 0.567019 0.213245 Br\n0.567020 0.786755 0.213245 Br\n0.213245 0.567019 0.786756 Br\n0.432981 0.213244 0.786756 Br\n0.713245 0.067019 0.932981 Br\n0.713245 0.932980 0.286755 Br\n0.567020 0.432980 0.786756 Br\n0.786756 0.432980 0.213245 Br\n0.286756 0.713244 0.932981 Br\n0.067020 0.932980 0.713245 Br\n0.286756 0.932980 0.067020 Br\n0.067020 0.286755 0.932981 Br\n0.932981 0.286755 0.713245 Br\n0.932981 0.713244 0.067020 Br\n0.932981 0.067019 0.286755 Br\n0.213245 0.786755 0.432981 Br\n0.567020 0.213244 0.432981 Br\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Al",
"Br"
],
"chemical_system": "Al-Br",
"density": 2.5558118483215737,
"density_atomic": 0.02220364687839022,
"volume": 1351.1293961893084,
"volume_molar": 27.122304696086076,
"formula_full": "Al6 Br24",
"formula_reduced": "AlBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.144219844,
"spacegroup": 226
},
{
"id": "jvasp-97524",
"created_at": "2022-09-04T14:36:19.944902Z",
"updated_at": "2022-09-04T14:36:19.944923Z",
"structure_string": "Al6 Bi10 Cl24\n1.0\n10.304841 0.010848 6.344566\n3.549737 9.674152 6.344566\n0.015518 0.010848 12.101364\nAl Bi Cl\n6 10 24\ndirect\n0.750000 0.224874 0.275126 Al\n0.250000 0.775126 0.724874 Al\n0.775126 0.724874 0.250000 Al\n0.224874 0.275126 0.750000 Al\n0.724874 0.250000 0.775126 Al\n0.275126 0.750000 0.224874 Al\n0.087967 0.250000 0.412033 Bi\n0.912033 0.750000 0.587967 Bi\n0.829412 0.829412 0.829412 Bi\n0.412033 0.087967 0.250000 Bi\n0.750000 0.587967 0.912033 Bi\n0.250000 0.412033 0.087967 Bi\n0.170588 0.170588 0.170588 Bi\n0.670588 0.670588 0.670588 Bi\n0.587968 0.912033 0.750000 Bi\n0.329412 0.329412 0.329412 Bi\n0.696695 0.267771 0.108991 Cl\n0.573245 0.194253 0.462416 Cl\n0.232229 0.803305 0.391010 Cl\n0.305748 0.926755 0.037585 Cl\n0.391010 0.232229 0.803305 Cl\n0.803305 0.391010 0.232229 Cl\n0.608991 0.767771 0.196695 Cl\n0.891010 0.303305 0.732229 Cl\n0.426756 0.805748 0.537584 Cl\n0.805748 0.537585 0.426756 Cl\n0.926755 0.037585 0.305748 Cl\n0.108991 0.696695 0.267771 Cl\n0.767771 0.196695 0.608990 Cl\n0.462416 0.573245 0.194253 Cl\n0.732229 0.891010 0.303305 Cl\n0.303305 0.732229 0.891009 Cl\n0.037585 0.305748 0.926755 Cl\n0.962416 0.694252 0.073245 Cl\n0.196695 0.608990 0.767771 Cl\n0.194253 0.462416 0.573245 Cl\n0.267771 0.108991 0.696695 Cl\n0.694252 0.073245 0.962415 Cl\n0.073245 0.962416 0.694252 Cl\n0.537585 0.426756 0.805748 Cl\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Al",
"Bi",
"Cl"
],
"chemical_system": "Al-Bi-Cl",
"density": 4.277200869432301,
"density_atomic": 0.03320852749985039,
"volume": 1204.5098958446804,
"volume_molar": 18.13432034897401,
"formula_full": "Al6 Bi10 Cl24",
"formula_reduced": "Al3Bi5Cl12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 0.6220549354999999,
"spacegroup": 167
},
{
"id": "jvasp-33078",
"created_at": "2022-09-04T14:37:08.722453Z",
"updated_at": "2022-09-04T14:37:08.722473Z",
"structure_string": "Al6 Bi10 Br24\n1.0\n10.820129 0.111962 6.429685\n3.712224 10.164011 6.429685\n0.158338 0.111962 12.585347\nAl Bi Br\n6 10 24\ndirect\n0.769900 0.730100 0.250000 Al\n0.250000 0.769900 0.730100 Al\n0.230100 0.269900 0.750000 Al\n0.269900 0.750000 0.230100 Al\n0.730100 0.250000 0.769900 Al\n0.750000 0.230100 0.269900 Al\n0.250000 0.405321 0.094679 Bi\n0.094679 0.250000 0.405321 Bi\n0.405321 0.094679 0.250000 Bi\n0.750000 0.594678 0.905321 Bi\n0.327315 0.327314 0.327314 Bi\n0.594679 0.905321 0.750000 Bi\n0.827315 0.827314 0.827314 Bi\n0.672685 0.672685 0.672685 Bi\n0.172685 0.172685 0.172685 Bi\n0.905321 0.750000 0.594678 Bi\n0.309237 0.932317 0.039624 Br\n0.595648 0.771375 0.200561 Br\n0.799439 0.404352 0.228624 Br\n0.039625 0.309237 0.932318 Br\n0.690763 0.067682 0.960375 Br\n0.299439 0.728625 0.904352 Br\n0.190763 0.460375 0.567683 Br\n0.932318 0.039624 0.309237 Br\n0.904352 0.299439 0.728625 Br\n0.960375 0.690762 0.067682 Br\n0.728625 0.904352 0.299439 Br\n0.809237 0.539624 0.432317 Br\n0.567683 0.190762 0.460375 Br\n0.771375 0.200561 0.595648 Br\n0.700561 0.271375 0.095648 Br\n0.460375 0.567682 0.190762 Br\n0.539625 0.432317 0.809237 Br\n0.228625 0.799439 0.404352 Br\n0.432317 0.809237 0.539624 Br\n0.404352 0.228625 0.799439 Br\n0.067682 0.960375 0.690763 Br\n0.200561 0.595648 0.771375 Br\n0.095648 0.700561 0.271375 Br\n0.271375 0.095648 0.700561 Br\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Al",
"Bi",
"Br"
],
"chemical_system": "Al-Bi-Br",
"density": 5.077678694498043,
"density_atomic": 0.029336187287223415,
"volume": 1363.5037030671303,
"volume_molar": 20.52802806662876,
"formula_full": "Al6 Bi10 Br24",
"formula_reduced": "Al3Bi5Br12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 0.4991759579999999,
"spacegroup": 167
},
{
"id": "jvasp-26046",
"created_at": "2022-09-04T14:38:35.401543Z",
"updated_at": "2022-09-04T14:38:35.401560Z",
"structure_string": "Al6 B4 Ru8\n1.0\n8.557340 0.000000 0.000000\n-0.000000 8.557340 -0.000000\n-0.000000 0.000000 2.943564\nAl B Ru\n6 4 8\ndirect\n0.000000 0.000000 0.499999 Al\n0.500000 0.500000 0.499999 Al\n0.000000 0.346740 0.499999 Al\n0.346740 0.000000 0.499999 Al\n0.653260 0.000000 0.499999 Al\n0.000000 0.653260 0.499999 Al\n0.693437 0.693437 0.499999 B\n0.693437 0.306564 0.499999 B\n0.306564 0.306564 0.499999 B\n0.306564 0.693437 0.499999 B\n0.243489 0.500000 0.000000 Ru\n0.823611 0.823611 0.000000 Ru\n0.823611 0.176389 0.000000 Ru\n0.176389 0.823611 0.000000 Ru\n0.176389 0.176389 0.000000 Ru\n0.500000 0.756511 0.000000 Ru\n0.756511 0.500000 0.000000 Ru\n0.500000 0.243489 0.000000 Ru\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"B",
"Ru"
],
"chemical_system": "Al-B-Ru",
"density": 7.809164762721847,
"density_atomic": 0.08350672407085118,
"volume": 215.55150438817265,
"volume_molar": 7.2115638914185185,
"formula_full": "Al6 B4 Ru8",
"formula_reduced": "Al3(BRu2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 4.149023951851852,
"spacegroup": 123
},
{
"id": "jvasp-102349",
"created_at": "2022-09-04T14:36:40.023859Z",
"updated_at": "2022-09-04T14:36:40.023885Z",
"structure_string": "Al6 B2 C2\n1.0\n3.492372 -0.000000 0.000000\n-1.746185 3.024483 0.000000\n-0.000000 -0.000000 11.569204\nAl B C\n6 2 2\ndirect\n0.333332 0.666666 0.424415 Al\n0.666666 0.333333 0.575585 Al\n0.666666 0.333333 0.924415 Al\n0.333332 0.666666 0.075585 Al\n0.000000 0.000000 0.250000 Al\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.666666 0.333333 0.750000 C\n0.333332 0.666666 0.250000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
"B",
"C"
],
"chemical_system": "Al-B-C",
"density": 2.820073101346004,
"density_atomic": 0.08183232219787598,
"volume": 122.20110258901535,
"volume_molar": 7.359122408182508,
"formula_full": "Al6 B2 C2",
"formula_reduced": "Al3BC",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.2745241966666665,
"spacegroup": 194
},
{
"id": "jvasp-117228",
"created_at": "2022-09-04T14:38:43.856174Z",
"updated_at": "2022-09-04T14:38:43.856203Z",
"structure_string": "Al5 S8\n1.0\n6.070602 -0.000000 3.504863\n2.023534 5.723418 3.504863\n-0.000000 -0.000000 7.009727\nAl S\n5 8\ndirect\n0.633242 0.633243 0.100272 Al\n0.633242 0.100273 0.633242 Al\n0.100272 0.633243 0.633243 Al\n0.633242 0.633243 0.633242 Al\n0.250000 0.250000 0.250000 Al\n0.871786 0.871787 0.384638 S\n0.871786 0.384639 0.871787 S\n0.384638 0.871787 0.871787 S\n0.871786 0.871787 0.871787 S\n0.383488 0.383488 0.849536 S\n0.383487 0.849536 0.383488 S\n0.849536 0.383488 0.383488 S\n0.383488 0.383488 0.383488 S\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Al",
"S"
],
"chemical_system": "Al-S",
"density": 2.6687771813768437,
"density_atomic": 0.05337710585425006,
"volume": 243.5501099572055,
"volume_molar": 11.282254186736683,
"formula_full": "Al5 S8",
"formula_reduced": "Al5S8",
"formula_anonymous": "A5B8",
"energy_above_hull": 2.143341846153846,
"spacegroup": 216
},
{
"id": "jvasp-116713",
"created_at": "2022-09-04T14:38:45.038964Z",
"updated_at": "2022-09-04T14:38:45.038991Z",
"structure_string": "Al5 O8\n1.0\n4.877100 -0.000000 2.815795\n1.625700 4.598174 2.815795\n-0.000000 -0.000000 5.631590\nAl O\n5 8\ndirect\n0.616402 0.127866 0.127866 Al\n0.127866 0.616401 0.127867 Al\n0.127866 0.127866 0.616402 Al\n0.127866 0.127866 0.127866 Al\n0.750000 0.749999 0.750002 Al\n0.350520 0.883159 0.883161 O\n0.883160 0.350519 0.883161 O\n0.883160 0.883159 0.350522 O\n0.883160 0.883159 0.883162 O\n0.914026 0.361991 0.361992 O\n0.361991 0.914025 0.361992 O\n0.361991 0.361991 0.914026 O\n0.361991 0.361991 0.361992 O\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.4567372658366606,
"density_atomic": 0.1029355196563765,
"volume": 126.29265430822251,
"volume_molar": 5.850401086139511,
"formula_full": "Al5 O8",
"formula_reduced": "Al5O8",
"formula_anonymous": "A5B8",
"energy_above_hull": 2.388517076923077,
"spacegroup": 216
},
{
"id": "jvasp-85872",
"created_at": "2022-09-04T14:35:48.992290Z",
"updated_at": "2022-09-04T14:35:48.992313Z",
"structure_string": "Al5 Cu5\n1.0\n3.885560 -0.000000 1.321915\n1.273200 5.713218 2.629084\n-0.012093 -0.005534 6.407001\nAl Cu\n5 5\ndirect\n0.500000 0.500001 0.500000 Al\n0.844594 0.461469 0.849344 Al\n0.155407 0.538532 0.150656 Al\n0.622010 0.995889 0.760091 Al\n0.377990 0.004112 0.239908 Al\n0.000000 0.000000 0.000000 Cu\n0.741941 0.244082 0.272037 Cu\n0.258060 0.755919 0.727962 Cu\n0.891032 0.772657 0.445279 Cu\n0.108969 0.227344 0.554720 Cu\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
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],
"chemical_system": "Al-Cu",
"density": 5.279438742420252,
"density_atomic": 0.0702405560635431,
"volume": 142.36789342831375,
"volume_molar": 8.573594939299845,
"formula_full": "Al5 Cu5",
"formula_reduced": "AlCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.3094116250000001,
"spacegroup": 12
},
{
"id": "jvasp-86371",
"created_at": "2022-09-04T14:35:53.864086Z",
"updated_at": "2022-09-04T14:35:53.864103Z",
"structure_string": "Al5 Cu5\n1.0\n3.885560 -0.000000 1.321915\n1.273200 5.713218 2.629084\n-0.012093 -0.005534 6.407001\nAl Cu\n5 5\ndirect\n0.500000 0.500001 0.500000 Al\n0.844594 0.461469 0.849344 Al\n0.155407 0.538532 0.150656 Al\n0.622010 0.995889 0.760091 Al\n0.377990 0.004112 0.239908 Al\n0.000000 0.000000 0.000000 Cu\n0.741941 0.244082 0.272037 Cu\n0.258060 0.755919 0.727962 Cu\n0.891032 0.772657 0.445279 Cu\n0.108969 0.227344 0.554720 Cu\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"Cu"
],
"chemical_system": "Al-Cu",
"density": 5.279438742420252,
"density_atomic": 0.0702405560635431,
"volume": 142.36789342831375,
"volume_molar": 8.573594939299845,
"formula_full": "Al5 Cu5",
"formula_reduced": "AlCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.3094116250000001,
"spacegroup": 12
},
{
"id": "jvasp-11598",
"created_at": "2022-09-04T14:37:17.427339Z",
"updated_at": "2022-09-04T14:37:17.427367Z",
"structure_string": "Al5 Cu1 Se8\n1.0\n7.503843 0.000000 -0.000000\n3.751922 6.498519 0.000000\n3.751922 2.166173 6.126862\nAl Cu Se\n5 1 8\ndirect\n0.250000 0.250000 0.250000 Al\n0.104198 0.631934 0.631934 Al\n0.631934 0.631934 0.104198 Al\n0.631934 0.104198 0.631934 Al\n0.631934 0.631934 0.631934 Al\n0.000000 0.000000 0.000000 Cu\n0.383604 0.383604 0.383604 Se\n0.383603 0.849188 0.383604 Se\n0.383604 0.383604 0.849187 Se\n0.849187 0.383604 0.383604 Se\n0.393879 0.868707 0.868707 Se\n0.868706 0.868707 0.393880 Se\n0.868706 0.393879 0.868707 Se\n0.868706 0.868707 0.868707 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Cu",
"Se"
],
"chemical_system": "Al-Cu-Se",
"density": 4.613822771404699,
"density_atomic": 0.0468588693375346,
"volume": 298.76947945873303,
"volume_molar": 12.851656143517278,
"formula_full": "Al5 Cu1 Se8",
"formula_reduced": "Al5CuSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.6308058130952383,
"spacegroup": 216
},
{
"id": "jvasp-13358",
"created_at": "2022-09-04T14:37:02.059856Z",
"updated_at": "2022-09-04T14:37:02.059875Z",
"structure_string": "Al5 Cu1 Se8\n1.0\n7.503843 0.000000 -0.000000\n3.751922 6.498519 0.000000\n3.751922 2.166173 6.126862\nAl Cu Se\n5 1 8\ndirect\n0.250000 0.250000 0.250000 Al\n0.104198 0.631934 0.631934 Al\n0.631934 0.631934 0.104198 Al\n0.631934 0.104198 0.631934 Al\n0.631934 0.631934 0.631934 Al\n0.000000 0.000000 0.000000 Cu\n0.383604 0.383604 0.383604 Se\n0.383603 0.849188 0.383604 Se\n0.383604 0.383604 0.849187 Se\n0.849187 0.383604 0.383604 Se\n0.393879 0.868707 0.868707 Se\n0.868706 0.868707 0.393880 Se\n0.868706 0.393879 0.868707 Se\n0.868706 0.868707 0.868707 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Cu",
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],
"chemical_system": "Al-Cu-Se",
"density": 4.613822771404699,
"density_atomic": 0.0468588693375346,
"volume": 298.76947945873303,
"volume_molar": 12.851656143517278,
"formula_full": "Al5 Cu1 Se8",
"formula_reduced": "Al5CuSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.6308058130952383,
"spacegroup": 216
}
]
}