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=413",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=411",
"results": [
{
"id": "jvasp-40763",
"created_at": "2022-09-04T14:38:01.889090Z",
"updated_at": "2022-09-04T14:38:01.889106Z",
"structure_string": "K1 Ba1 P1\n1.0\n4.471116 0.000000 2.581400\n1.490372 4.215409 2.581400\n0.000000 0.000000 5.162801\nK Ba P\n1 1 1\ndirect\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"P"
],
"chemical_system": "Ba-K-P",
"density": 3.5392793641661973,
"density_atomic": 0.030830474817679483,
"volume": 97.30631843138772,
"volume_molar": 19.533078214373308,
"formula_full": "K1 Ba1 P1",
"formula_reduced": "KBaP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3924931566666667,
"spacegroup": 216
},
{
"id": "jvasp-100990",
"created_at": "2022-09-04T14:36:49.403627Z",
"updated_at": "2022-09-04T14:36:49.403652Z",
"structure_string": "La6 Zr2\n1.0\n7.191464 -0.000000 0.000000\n-3.595731 6.227991 0.000000\n-0.000000 -0.000000 5.793537\nLa Zr\n6 2\ndirect\n0.173157 0.346312 0.250000 La\n0.653687 0.826843 0.250000 La\n0.173157 0.826843 0.250000 La\n0.826843 0.653688 0.750000 La\n0.346312 0.173157 0.750000 La\n0.826843 0.173157 0.750000 La\n0.333333 0.666667 0.750000 Zr\n0.666666 0.333333 0.250000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"La",
"Zr"
],
"chemical_system": "La-Zr",
"density": 6.501039224084359,
"density_atomic": 0.03083052463358578,
"volume": 259.4830965440354,
"volume_molar": 19.533046652860634,
"formula_full": "La6 Zr2",
"formula_reduced": "La3Zr",
"formula_anonymous": "AB3",
"energy_above_hull": 2.509479875,
"spacegroup": 194
},
{
"id": "jvasp-99522",
"created_at": "2022-09-04T14:36:06.248674Z",
"updated_at": "2022-09-04T14:36:06.248701Z",
"structure_string": "K2 Sc1 Tl1 Cl6\n1.0\n6.678943 -0.000000 3.856090\n2.226314 6.296968 3.856090\n-0.000000 -0.000000 7.712179\nK Sc Tl Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Tl\n0.773017 0.226983 0.226983 Cl\n0.226982 0.226983 0.773017 Cl\n0.226982 0.773018 0.773018 Cl\n0.226982 0.773018 0.226983 Cl\n0.773017 0.226983 0.773018 Cl\n0.773016 0.773018 0.226983 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Tl",
"Cl"
],
"chemical_system": "Cl-K-Sc-Tl",
"density": 2.765862671111173,
"density_atomic": 0.03083072060584956,
"volume": 324.3518089584544,
"volume_molar": 19.532922493084413,
"formula_full": "K2 Sc1 Tl1 Cl6",
"formula_reduced": "K2ScTlCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-17319",
"created_at": "2022-09-04T14:38:33.588806Z",
"updated_at": "2022-09-04T14:38:33.588839Z",
"structure_string": "Sr4 As2\n1.0\n4.617723 0.000000 -1.324628\n-0.379980 4.602062 -1.324628\n0.108565 0.117898 9.089589\nSr As\n4 2\ndirect\n0.318899 0.318898 0.637796 Sr\n0.681102 0.681102 0.362203 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.866258 0.866257 0.732515 As\n0.133743 0.133743 0.267485 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"As"
],
"chemical_system": "As-Sr",
"density": 4.269179433750642,
"density_atomic": 0.030831589846676884,
"volume": 194.6055986680394,
"volume_molar": 19.5323717977167,
"formula_full": "Sr4 As2",
"formula_reduced": "Sr2As",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0289287700000001,
"spacegroup": 139
},
{
"id": "jvasp-98566",
"created_at": "2022-09-04T14:37:41.385096Z",
"updated_at": "2022-09-04T14:37:41.385129Z",
"structure_string": "Hg24 Bi4 Sb16 Br28\n1.0\n13.267156 0.000000 0.000000\n-0.000000 13.267156 -0.000000\n-0.000000 -0.000000 13.267156\nHg Bi Sb Br\n24 4 16 28\ndirect\n0.182630 0.299895 0.445272 Hg\n0.200105 0.945272 0.182630 Hg\n0.700105 0.945272 0.317370 Hg\n0.317370 0.799895 0.445272 Hg\n0.554728 0.682630 0.200105 Hg\n0.445272 0.317370 0.799895 Hg\n0.054728 0.817370 0.799895 Hg\n0.299895 0.054728 0.682630 Hg\n0.182630 0.200105 0.945272 Hg\n0.799895 0.445272 0.317370 Hg\n0.682630 0.299895 0.054728 Hg\n0.817370 0.799895 0.054728 Hg\n0.700105 0.554728 0.817370 Hg\n0.682630 0.200105 0.554728 Hg\n0.054728 0.682630 0.299895 Hg\n0.817370 0.700105 0.554728 Hg\n0.299895 0.445272 0.182630 Hg\n0.945272 0.182630 0.200105 Hg\n0.554728 0.817370 0.700105 Hg\n0.445272 0.182630 0.299895 Hg\n0.799895 0.054728 0.817370 Hg\n0.200105 0.554728 0.682630 Hg\n0.317370 0.700105 0.945272 Hg\n0.945272 0.317370 0.700105 Hg\n0.500000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.740161 0.759839 0.240161 Sb\n0.259839 0.259839 0.259839 Sb\n0.759839 0.259839 0.240161 Sb\n0.133969 0.133969 0.133969 Sb\n0.866032 0.866032 0.866032 Sb\n0.759839 0.240161 0.740161 Sb\n0.240161 0.740161 0.759839 Sb\n0.366032 0.633969 0.133969 Sb\n0.633969 0.133969 0.366032 Sb\n0.366032 0.866032 0.633969 Sb\n0.633969 0.366032 0.866032 Sb\n0.133969 0.366032 0.633969 Sb\n0.740161 0.740161 0.740161 Sb\n0.240161 0.759839 0.259839 Sb\n0.866032 0.633969 0.366032 Sb\n0.259839 0.240161 0.759839 Sb\n0.044555 0.055739 0.707534 Br\n0.292467 0.544555 0.444261 Br\n0.207534 0.044555 0.444261 Br\n0.207534 0.455445 0.944262 Br\n0.944262 0.292467 0.955445 Br\n0.955445 0.555739 0.792467 Br\n0.044555 0.444261 0.207534 Br\n0.555739 0.707534 0.455445 Br\n0.055739 0.792467 0.544555 Br\n0.792467 0.955445 0.555739 Br\n0.555739 0.792467 0.955445 Br\n0.792467 0.544555 0.055739 Br\n0.000000 0.500000 0.500000 Br\n0.055739 0.707534 0.044555 Br\n0.500000 0.000000 0.500000 Br\n0.944262 0.207534 0.455445 Br\n0.955445 0.944262 0.292467 Br\n0.292467 0.955445 0.944262 Br\n0.707534 0.044555 0.055739 Br\n0.455445 0.944262 0.207534 Br\n0.000000 0.000000 0.000000 Br\n0.544555 0.444261 0.292467 Br\n0.444261 0.207534 0.044555 Br\n0.544555 0.055739 0.792467 Br\n0.455445 0.555739 0.707534 Br\n0.707534 0.455445 0.555739 Br\n0.444261 0.292467 0.544555 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Hg",
"Bi",
"Sb",
"Br"
],
"chemical_system": "Bi-Br-Hg-Sb",
"density": 6.993819178326699,
"density_atomic": 0.030831807739451156,
"volume": 2335.2506803508527,
"volume_molar": 19.532233759664724,
"formula_full": "Hg24 Bi4 Sb16 Br28",
"formula_reduced": "Hg6BiSb4Br7",
"formula_anonymous": "AB4C6D7",
"energy_above_hull": 0.0,
"spacegroup": 205
},
{
"id": "jvasp-10670",
"created_at": "2022-09-04T14:37:19.473648Z",
"updated_at": "2022-09-04T14:37:19.473683Z",
"structure_string": "Ba2 Y2 Ag2 Te6\n1.0\n4.517177 0.000000 0.000000\n-2.258588 7.521955 0.000000\n0.000000 0.000000 11.454225\nBa Y Ag Te\n2 2 2 6\ndirect\n0.243881 0.487762 0.250000 Ba\n0.756119 0.512237 0.750000 Ba\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.532454 0.064908 0.250000 Ag\n0.467546 0.935091 0.750000 Ag\n0.360546 0.721092 0.950447 Te\n0.919799 0.839598 0.250000 Te\n0.639454 0.278907 0.450448 Te\n0.639454 0.278907 0.049552 Te\n0.360546 0.721092 0.549552 Te\n0.080201 0.160402 0.750000 Te\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ag",
"Te"
],
"chemical_system": "Ag-Ba-Te-Y",
"density": 6.117511023350284,
"density_atomic": 0.03083313589472217,
"volume": 389.19168134481214,
"volume_molar": 19.531392397329377,
"formula_full": "Ba2 Y2 Ag2 Te6",
"formula_reduced": "BaYAgTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.7284536633333334,
"spacegroup": 63
},
{
"id": "jvasp-18640",
"created_at": "2022-09-04T14:36:54.465132Z",
"updated_at": "2022-09-04T14:36:54.465152Z",
"structure_string": "Tl1 Bi2\n1.0\n2.873043 -4.976256 -0.000000\n2.873043 4.976256 0.000000\n-0.000000 -0.000000 3.402599\nTl Bi\n1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.666667 0.333332 0.500000 Bi\n0.333332 0.666667 0.500000 Bi\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tl",
"Bi"
],
"chemical_system": "Bi-Tl",
"density": 10.621700909544279,
"density_atomic": 0.03083441042182327,
"volume": 97.29389856848792,
"volume_molar": 19.530585075619893,
"formula_full": "Tl1 Bi2",
"formula_reduced": "TlBi2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4544712777777778,
"spacegroup": 191
},
{
"id": "jvasp-12143",
"created_at": "2022-09-04T14:37:16.473978Z",
"updated_at": "2022-09-04T14:37:16.473994Z",
"structure_string": "Zr4 I8\n1.0\n3.773247 0.000000 0.000000\n0.000000 6.848319 -0.674144\n0.000000 0.010402 15.059258\nZr I\n4 8\ndirect\n0.250000 0.687365 0.996748 Zr\n0.250000 0.188692 0.503665 Zr\n0.750001 0.312635 0.003253 Zr\n0.750001 0.811308 0.496336 Zr\n0.250000 0.602920 0.609687 I\n0.750001 0.397080 0.390313 I\n0.750001 0.551217 0.852990 I\n0.750001 0.944816 0.109782 I\n0.250000 0.448783 0.147011 I\n0.750001 0.111572 0.647105 I\n0.250000 0.055184 0.890219 I\n0.250000 0.888428 0.352896 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 5.888942681085296,
"density_atomic": 0.030835353081351928,
"volume": 389.1636968884638,
"volume_molar": 19.529988011202526,
"formula_full": "Zr4 I8",
"formula_reduced": "ZrI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7769423500000003,
"spacegroup": 11
},
{
"id": "jvasp-37665",
"created_at": "2022-09-04T14:38:02.874623Z",
"updated_at": "2022-09-04T14:38:02.874638Z",
"structure_string": "Y6 Th2\n1.0\n3.602129 -6.239070 -0.000000\n3.602129 6.239070 0.000000\n-0.000000 0.000000 5.771632\nY Th\n6 2\ndirect\n0.167096 0.334193 0.250000 Y\n0.665808 0.832904 0.250000 Y\n0.167097 0.832904 0.250000 Y\n0.832904 0.665808 0.750000 Y\n0.334193 0.167096 0.750000 Y\n0.832904 0.167097 0.750000 Y\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Th"
],
"chemical_system": "Th-Y",
"density": 6.384974078020012,
"density_atomic": 0.030837718424922098,
"volume": 259.42256459332106,
"volume_molar": 19.528490003764645,
"formula_full": "Y6 Th2",
"formula_reduced": "Y3Th",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0333779875,
"spacegroup": 194
},
{
"id": "jvasp-105233",
"created_at": "2022-09-04T14:36:50.836332Z",
"updated_at": "2022-09-04T14:36:50.836359Z",
"structure_string": "Pm3 Er1\n1.0\n5.061958 -0.000000 0.000000\n0.000000 5.061958 0.000000\n-0.000000 -0.000000 5.061958\nPm Er\n3 1\ndirect\n-0.000000 0.500000 0.500000 Pm\n0.500000 0.000000 0.500000 Pm\n0.500000 0.500000 -0.000000 Pm\n0.000000 0.000000 0.000000 Er\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Er"
],
"chemical_system": "Er-Pm",
"density": 7.710397780092463,
"density_atomic": 0.03083929057986987,
"volume": 129.704669750444,
"volume_molar": 19.527494461662194,
"formula_full": "Pm3 Er1",
"formula_reduced": "Pm3Er",
"formula_anonymous": "AB3",
"energy_above_hull": 1.52981338125,
"spacegroup": 221
},
{
"id": "jvasp-110918",
"created_at": "2022-09-04T14:38:37.311096Z",
"updated_at": "2022-09-04T14:38:37.311131Z",
"structure_string": "K2 Te2 Pd1\n1.0\n6.388192 -0.019882 -2.196420\n-0.856824 3.741803 -5.558634\n0.003334 0.019882 6.755238\nK Te Pd\n2 2 1\ndirect\n0.296562 0.796561 0.500000 K\n0.703438 0.203438 0.500000 K\n0.773775 0.500000 0.273775 Te\n0.226224 0.499999 0.726225 Te\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Te",
"Pd"
],
"chemical_system": "K-Pd-Te",
"density": 4.504640046197667,
"density_atomic": 0.03083964593504425,
"volume": 162.12896900733585,
"volume_molar": 19.52726945271708,
"formula_full": "K2 Te2 Pd1",
"formula_reduced": "K2Te2Pd",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.1752914466666668,
"spacegroup": 71
},
{
"id": "jvasp-121956",
"created_at": "2022-09-04T14:38:53.957734Z",
"updated_at": "2022-09-04T14:38:53.957759Z",
"structure_string": "Rb8 Sb1 O3\n1.0\n7.300421 -0.000000 0.000000\n0.000000 7.300421 0.000000\n-0.000000 -0.000000 7.300421\nRb Sb O\n8 1 3\ndirect\n0.269688 0.269688 0.269688 Rb\n0.730312 0.730312 0.269688 Rb\n0.730312 0.269688 0.730312 Rb\n0.269688 0.730312 0.730312 Rb\n0.269688 0.269688 0.730312 Rb\n0.730312 0.730312 0.730312 Rb\n0.730312 0.269688 0.269688 Rb\n0.269688 0.730312 0.269688 Rb\n0.000000 0.000000 0.000000 Sb\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"O"
],
"chemical_system": "O-Rb-Sb",
"density": 3.6425809428211435,
"density_atomic": 0.030841644645512516,
"volume": 389.0843091516525,
"volume_molar": 19.526003976821727,
"formula_full": "Rb8 Sb1 O3",
"formula_reduced": "Rb8SbO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.0697772166666666,
"spacegroup": 221
}
]
}