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=energy_above_hull&page=133",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=131",
"results": [
{
"id": "jvasp-42114",
"created_at": "2022-09-04T14:37:31.699378Z",
"updated_at": "2022-09-04T14:37:31.699406Z",
"structure_string": "Pm1 Cd1 Au2\n1.0\n0.000004 3.536016 3.536017\n3.536016 0.000003 3.536017\n3.536015 3.536016 0.000004\nPm Cd Au\n1 1 2\ndirect\n0.750000 0.750000 0.750001 Pm\n0.249999 0.249999 0.249999 Cd\n0.500001 0.500001 0.500002 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Pm",
"density": 12.231720829562947,
"density_atomic": 0.045236390596399445,
"volume": 88.42438459973809,
"volume_molar": 13.312602266899978,
"formula_full": "Pm1 Cd1 Au2",
"formula_reduced": "PmCdAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-22668",
"created_at": "2022-09-04T14:37:28.577496Z",
"updated_at": "2022-09-04T14:37:28.577517Z",
"structure_string": "K4 Zn1 As2\n1.0\n5.468176 0.018692 7.845341\n2.478010 4.874501 7.845341\n0.030355 0.018692 9.562918\nK Zn As\n4 1 2\ndirect\n0.383665 0.383663 0.383663 K\n0.208490 0.208489 0.208489 K\n0.791512 0.791510 0.791510 K\n0.616338 0.616336 0.616336 K\n0.000000 0.000000 0.000000 Zn\n0.086145 0.086145 0.086145 As\n0.913857 0.913854 0.913854 As\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Zn",
"As"
],
"chemical_system": "As-K-Zn",
"density": 2.440623571627734,
"density_atomic": 0.02768349907443164,
"volume": 252.8582091873339,
"volume_molar": 21.753538972109286,
"formula_full": "K4 Zn1 As2",
"formula_reduced": "K4ZnAs2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-37606",
"created_at": "2022-09-04T14:38:01.107623Z",
"updated_at": "2022-09-04T14:38:01.107661Z",
"structure_string": "Yb3 In3 Ge2 Au1\n1.0\n3.691238 -6.393412 -0.000000\n3.691238 6.393412 -0.000000\n0.000000 -0.000000 4.413830\nYb In Ge Au\n3 3 2 1\ndirect\n0.414434 0.414434 0.500000 Yb\n0.585566 0.000000 0.500000 Yb\n0.000000 0.585566 0.500000 Yb\n0.747156 0.747156 0.000000 In\n0.252844 0.000000 0.000000 In\n0.000000 0.252844 0.000000 In\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.000000 Ge\n0.000000 0.000000 0.500000 Au\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Yb",
"In",
"Ge",
"Au"
],
"chemical_system": "Au-Ge-In-Yb",
"density": 9.611284824793124,
"density_atomic": 0.0432008380406244,
"volume": 208.32929193495616,
"volume_molar": 13.939870227371541,
"formula_full": "Yb3 In3 Ge2 Au1",
"formula_reduced": "Yb3In3Ge2Au",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-22532",
"created_at": "2022-09-04T14:37:00.896421Z",
"updated_at": "2022-09-04T14:37:00.896447Z",
"structure_string": "Br2 F10\n1.0\n4.874894 -0.020302 -0.000000\n-0.605147 4.837231 -0.000000\n-0.000000 0.000000 7.610269\nBr F\n2 10\ndirect\n0.829949 0.170051 0.254737 Br\n0.170049 0.829950 0.754737 Br\n0.098023 0.467556 0.244631 F\n0.901975 0.532444 0.744631 F\n0.338668 0.661332 0.590925 F\n0.661331 0.338669 0.090925 F\n0.355562 0.644437 0.910840 F\n0.644436 0.355563 0.410840 F\n0.006377 0.993623 0.564238 F\n0.993622 0.006378 0.064238 F\n0.467556 0.098024 0.744631 F\n0.532443 0.901976 0.244631 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Br",
"F"
],
"chemical_system": "Br-F",
"density": 3.238346558946875,
"density_atomic": 0.06690299502664183,
"volume": 179.36416740717524,
"volume_molar": 9.001302195218447,
"formula_full": "Br2 F10",
"formula_reduced": "BrF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-4307",
"created_at": "2022-09-04T14:38:00.549522Z",
"updated_at": "2022-09-04T14:38:00.549538Z",
"structure_string": "Yb2 Ga2\n1.0\n3.569707 0.000000 0.000000\n0.000000 5.049126 0.000000\n0.000000 0.000000 5.049126\nYb Ga\n2 2\ndirect\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ga"
],
"chemical_system": "Ga-Yb",
"density": 8.859242729959142,
"density_atomic": 0.04395365584150616,
"volume": 91.00494426274172,
"volume_molar": 13.701114605154626,
"formula_full": "Yb2 Ga2",
"formula_reduced": "YbGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-37932",
"created_at": "2022-09-04T14:37:57.121875Z",
"updated_at": "2022-09-04T14:37:57.121896Z",
"structure_string": "Ba2 Zn1 Cd1\n1.0\n-0.000000 4.155537 4.155537\n4.155537 0.000000 4.155537\n4.155537 4.155537 -0.000000\nBa Zn Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.500001 Ba\n0.750001 0.750001 0.750001 Zn\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Cd"
],
"chemical_system": "Ba-Cd-Zn",
"density": 5.235175800062983,
"density_atomic": 0.027870742258976157,
"volume": 143.51967962789885,
"volume_molar": 21.607392813732783,
"formula_full": "Ba2 Zn1 Cd1",
"formula_reduced": "Ba2ZnCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-51699",
"created_at": "2022-09-04T14:38:08.855847Z",
"updated_at": "2022-09-04T14:38:08.855870Z",
"structure_string": "S3 F18\n1.0\n4.713653 0.017680 0.008593\n0.645613 7.908063 -0.036064\n0.650580 3.795908 6.943445\nS F\n3 18\ndirect\n0.000000 0.000000 0.000000 S\n0.419153 0.668027 0.668208 S\n0.580846 0.331973 0.331793 S\n0.759897 0.131550 0.409778 F\n0.240101 0.868450 0.590223 F\n0.353655 0.252637 0.253015 F\n0.646344 0.747363 0.746986 F\n0.808053 0.411348 0.410596 F\n0.191945 0.588651 0.589405 F\n0.402176 0.254165 0.532245 F\n0.597823 0.745835 0.467755 F\n0.759735 0.409685 0.131432 F\n0.240263 0.590314 0.868569 F\n0.290865 0.930355 0.929328 F\n0.709134 0.069644 0.070673 F\n0.123837 0.205463 0.928638 F\n0.876161 0.794537 0.071363 F\n0.876419 0.073807 0.794194 F\n0.123580 0.926192 0.205806 F\n0.597987 0.467518 0.746269 F\n0.402011 0.532481 0.253732 F\n",
"nsites": 21,
"nelements": 2,
"elements": [
"S",
"F"
],
"chemical_system": "F-S",
"density": 2.8052788013238645,
"density_atomic": 0.08096685996104527,
"volume": 259.3653750448456,
"volume_molar": 7.437784746620245,
"formula_full": "S3 F18",
"formula_reduced": "SF6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-29728",
"created_at": "2022-09-04T14:38:01.575532Z",
"updated_at": "2022-09-04T14:38:01.575559Z",
"structure_string": "Yb2 Br2 O2\n1.0\n3.704728 0.000542 -0.000001\n0.000542 3.704733 0.000002\n-0.000004 0.000006 8.294558\nYb Br O\n2 2 2\ndirect\n0.500001 0.000001 0.842252 Yb\n0.000001 0.500000 0.157749 Yb\n0.500001 0.000000 0.345045 Br\n0.000000 0.500000 0.654952 Br\n0.999999 -0.000001 0.000002 O\n0.500000 0.499999 0.000001 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Br",
"O"
],
"chemical_system": "Br-O-Yb",
"density": 7.845732621130804,
"density_atomic": 0.05270414469301131,
"volume": 113.84303900477894,
"volume_molar": 11.426313423882483,
"formula_full": "Yb2 Br2 O2",
"formula_reduced": "YbBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-15839",
"created_at": "2022-09-04T14:37:55.858812Z",
"updated_at": "2022-09-04T14:37:55.858834Z",
"structure_string": "Ca7 Ge1\n1.0\n6.364625 0.000000 3.674618\n2.121542 6.000626 3.674618\n0.000000 0.000000 7.349236\nCa Ge\n7 1\ndirect\n0.500000 -0.000000 0.500001 Ca\n0.499999 0.500000 0.500001 Ca\n0.500000 -0.000000 0.000000 Ca\n-0.000000 -0.000000 0.500000 Ca\n0.499999 0.500000 0.000000 Ca\n-0.000000 0.500000 0.500000 Ca\n-0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge",
"density": 2.0894934020320304,
"density_atomic": 0.028502201986435816,
"volume": 280.68006829111647,
"volume_molar": 21.128685997193955,
"formula_full": "Ca7 Ge1",
"formula_reduced": "Ca7Ge",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-16483",
"created_at": "2022-09-04T14:37:56.366193Z",
"updated_at": "2022-09-04T14:37:56.366204Z",
"structure_string": "Zr1 Cd3\n1.0\n4.405937 0.000000 0.000000\n0.000000 4.405937 0.000000\n0.000000 0.000000 4.405161\nZr Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Cd"
],
"chemical_system": "Cd-Zr",
"density": 8.319897742788593,
"density_atomic": 0.046775844794874545,
"volume": 85.51422251251995,
"volume_molar": 12.874467123808902,
"formula_full": "Zr1 Cd3",
"formula_reduced": "ZrCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-109126",
"created_at": "2022-09-04T14:38:12.813495Z",
"updated_at": "2022-09-04T14:38:12.813522Z",
"structure_string": "Zn1 Cd1 Se2\n1.0\n4.035668 0.008968 6.128523\n1.843280 3.590127 6.128523\n0.014648 0.008968 7.337928\nZn Cd Se\n1 1 2\ndirect\n0.499463 0.499464 0.499462 Zn\n0.001880 0.001880 0.001880 Cd\n0.130213 0.130213 0.130212 Se\n0.618444 0.618446 0.618443 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cd",
"Se"
],
"chemical_system": "Cd-Se-Zn",
"density": 5.2718199147826255,
"density_atomic": 0.037824080060956076,
"volume": 105.75273723918012,
"volume_molar": 15.921446735240911,
"formula_full": "Zn1 Cd1 Se2",
"formula_reduced": "ZnCdSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-35260",
"created_at": "2022-09-04T14:37:56.260552Z",
"updated_at": "2022-09-04T14:37:56.260578Z",
"structure_string": "Na12 Zn2 Se8\n1.0\n4.659978 -8.071319 -0.000000\n4.659978 8.071319 0.000000\n0.000000 -0.000000 7.151166\nNa Zn Se\n12 2 8\ndirect\n0.296769 0.148385 0.039452 Na\n0.528546 0.057092 0.365772 Na\n0.942908 0.471454 0.365772 Na\n0.471454 0.942908 0.865772 Na\n0.471454 0.528546 0.865772 Na\n0.057092 0.528546 0.865772 Na\n0.528546 0.471454 0.365772 Na\n0.148385 0.851616 0.539453 Na\n0.703231 0.851616 0.539453 Na\n0.851616 0.703231 0.039452 Na\n0.851616 0.148385 0.039452 Na\n0.148385 0.296769 0.539453 Na\n0.666667 0.333333 0.747821 Zn\n0.333333 0.666667 0.247821 Zn\n0.186215 0.813785 0.139049 Se\n0.666667 0.333333 0.098849 Se\n0.333333 0.666667 0.598849 Se\n0.372430 0.186215 0.639049 Se\n0.813785 0.186215 0.639049 Se\n0.813785 0.627570 0.639049 Se\n0.627570 0.813785 0.139049 Se\n0.186215 0.372430 0.139049 Se\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Se"
],
"chemical_system": "Na-Se-Zn",
"density": 3.205296313993981,
"density_atomic": 0.04089662292492663,
"volume": 537.941727863083,
"volume_molar": 14.725276390314091,
"formula_full": "Na12 Zn2 Se8",
"formula_reduced": "Na6ZnSe4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
}
]
}