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=4382",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4380",
"results": [
{
"id": "jvasp-58844",
"created_at": "2022-09-04T14:37:53.294334Z",
"updated_at": "2022-09-04T14:37:53.294355Z",
"structure_string": "Hg8 As4 Cl8\n1.0\n8.191866 -0.002150 0.920134\n3.903114 7.202247 0.920134\n-0.008533 -0.005080 8.970806\nHg As Cl\n8 4 8\ndirect\n0.219371 0.219371 0.518477 Hg\n0.723869 0.723869 0.956779 Hg\n0.276132 0.276132 0.043220 Hg\n0.229216 0.734781 0.756283 Hg\n0.265219 0.770784 0.243717 Hg\n0.770784 0.265219 0.243717 Hg\n0.734781 0.229216 0.756283 Hg\n0.780629 0.780629 0.481523 Hg\n0.556295 0.556296 0.091900 As\n0.443705 0.443705 0.908100 As\n0.957332 0.957333 0.389381 As\n0.042668 0.042668 0.610618 As\n0.607788 0.607789 0.521317 Cl\n0.392212 0.392212 0.478682 Cl\n0.109495 0.109494 0.984499 Cl\n0.890505 0.890506 0.015500 Cl\n0.994364 0.543333 0.739015 Cl\n0.456667 0.005636 0.260984 Cl\n0.005636 0.456667 0.260984 Cl\n0.543333 0.994364 0.739016 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"As",
"Cl"
],
"chemical_system": "As-Cl-Hg",
"density": 6.862707939133815,
"density_atomic": 0.03777661701456751,
"volume": 529.4280319565818,
"volume_molar": 15.941450653661569,
"formula_full": "Hg8 As4 Cl8",
"formula_reduced": "Hg2AsCl2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-40860",
"created_at": "2022-09-04T14:37:35.180200Z",
"updated_at": "2022-09-04T14:37:35.180220Z",
"structure_string": "Na1 Pm1 Tl2\n1.0\n0.000000 3.800458 3.800458\n3.800458 0.000000 3.800458\n3.800458 3.800458 0.000000\nNa Pm Tl\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Na\n0.749999 0.749999 0.749999 Pm\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Pm",
"Tl"
],
"chemical_system": "Na-Pm-Tl",
"density": 8.723759593457869,
"density_atomic": 0.0364352860546247,
"volume": 109.78368590281134,
"volume_molar": 16.52832024145894,
"formula_full": "Na1 Pm1 Tl2",
"formula_reduced": "NaPmTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-12768",
"created_at": "2022-09-04T14:37:56.539869Z",
"updated_at": "2022-09-04T14:37:56.539893Z",
"structure_string": "Na3 Pa1 F8\n1.0\n4.974581 -0.000201 -2.227115\n-0.997435 4.873570 -2.227115\n-0.001817 -0.002224 6.664424\nNa Pa F\n3 1 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.250003 0.749998 0.500000 Na\n0.749998 0.250003 0.499999 Na\n0.000000 0.000000 0.000000 Pa\n0.353495 0.353495 0.235932 F\n0.882509 0.353495 0.235949 F\n0.353495 0.882509 0.235950 F\n0.117491 0.646506 0.764051 F\n0.646505 0.117492 0.764050 F\n0.117506 0.117503 0.764023 F\n0.646505 0.646506 0.764068 F\n0.882494 0.882498 0.235977 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Pa",
"F"
],
"chemical_system": "F-Na-Pa",
"density": 4.646757863719996,
"density_atomic": 0.07429353885740085,
"volume": 161.5214483594976,
"volume_molar": 8.10587414816638,
"formula_full": "Na3 Pa1 F8",
"formula_reduced": "Na3PaF8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-34769",
"created_at": "2022-09-04T14:37:53.241723Z",
"updated_at": "2022-09-04T14:37:53.241745Z",
"structure_string": "Ba4 Cl8\n1.0\n4.733923 -0.000000 0.000000\n-0.000000 7.875217 0.000000\n0.000000 0.000000 9.497074\nBa Cl\n4 8\ndirect\n0.250000 0.748613 0.619052 Ba\n0.750000 0.251388 0.380947 Ba\n0.250000 0.248612 0.880947 Ba\n0.750000 0.751388 0.119052 Ba\n0.250000 0.530433 0.328487 Cl\n0.750000 0.469567 0.671513 Cl\n0.250000 0.030433 0.171513 Cl\n0.750000 0.969567 0.828486 Cl\n0.750000 0.856353 0.430796 Cl\n0.250000 0.143648 0.569203 Cl\n0.750000 0.356353 0.069203 Cl\n0.250000 0.643648 0.930796 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 3.906475489124365,
"density_atomic": 0.03389281998404666,
"volume": 354.05729017675117,
"volume_molar": 17.76819032123801,
"formula_full": "Ba4 Cl8",
"formula_reduced": "BaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-37513",
"created_at": "2022-09-04T14:37:44.327459Z",
"updated_at": "2022-09-04T14:37:44.327482Z",
"structure_string": "Yb1 Pr1 Cd2\n1.0\n0.000000 3.803816 3.803816\n3.803816 -0.000000 3.803816\n3.803816 3.803816 -0.000000\nYb Pr Cd\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Yb\n0.250001 0.250001 0.250001 Pr\n0.000000 0.000000 0.000000 Cd\n0.500002 0.500002 0.500002 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Pr",
"Cd"
],
"chemical_system": "Cd-Pr-Yb",
"density": 8.127626210919512,
"density_atomic": 0.036338876255362446,
"volume": 110.07495036145288,
"volume_molar": 16.572171130667055,
"formula_full": "Yb1 Pr1 Cd2",
"formula_reduced": "YbPrCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109449",
"created_at": "2022-09-04T14:37:56.612041Z",
"updated_at": "2022-09-04T14:37:56.612062Z",
"structure_string": "K2 Ga1 Hg1 Cl6\n1.0\n6.337638 -0.000000 3.659037\n2.112546 5.975182 3.659037\n-0.000000 -0.000000 7.318073\nK Ga Hg Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500000 0.500000 Hg\n0.766551 0.233449 0.233449 Cl\n0.233449 0.233449 0.766551 Cl\n0.233450 0.766551 0.766551 Cl\n0.233450 0.766551 0.233449 Cl\n0.766551 0.233449 0.766551 Cl\n0.766552 0.766551 0.233449 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ga",
"Hg",
"Cl"
],
"chemical_system": "Cl-Ga-Hg-K",
"density": 3.362891174318516,
"density_atomic": 0.03608483264063705,
"volume": 277.12474378330546,
"volume_molar": 16.688842151420005,
"formula_full": "K2 Ga1 Hg1 Cl6",
"formula_reduced": "K2GaHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39894",
"created_at": "2022-09-04T14:37:44.366387Z",
"updated_at": "2022-09-04T14:37:44.366410Z",
"structure_string": "Yb1 Pr1 Hg2\n1.0\n0.000000 3.772940 3.772940\n3.772940 0.000000 3.772940\n3.772940 3.772940 0.000000\nYb Pr Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Yb\n0.249999 0.249999 0.249999 Pr\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Pr",
"Hg"
],
"chemical_system": "Hg-Pr-Yb",
"density": 11.055107640335583,
"density_atomic": 0.037238338833666625,
"volume": 107.4161771250564,
"volume_molar": 16.171883463704546,
"formula_full": "Yb1 Pr1 Hg2",
"formula_reduced": "YbPrHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-23372",
"created_at": "2022-09-04T14:37:35.824314Z",
"updated_at": "2022-09-04T14:37:35.824335Z",
"structure_string": "Ca2 In8 Pd2\n1.0\n4.377666 0.000000 -1.174476\n0.000000 7.606844 -0.000000\n-0.005424 -0.000000 8.725537\nCa In Pd\n2 8 2\ndirect\n0.870550 0.250000 0.741098 Ca\n0.129452 0.750000 0.258902 Ca\n0.682140 0.047332 0.364278 In\n0.317861 0.952668 0.635723 In\n0.317861 0.547331 0.635723 In\n0.682140 0.452668 0.364278 In\n0.063110 0.250000 0.126219 In\n0.936892 0.750000 0.873781 In\n0.500000 0.000000 -0.000000 In\n0.500000 0.500000 -0.000000 In\n0.224992 0.250000 0.449982 Pd\n0.775010 0.750000 0.550019 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"In",
"Pd"
],
"chemical_system": "Ca-In-Pd",
"density": 6.925003419603155,
"density_atomic": 0.04130611820071314,
"volume": 290.5138638709658,
"volume_molar": 14.57929484135362,
"formula_full": "Ca2 In8 Pd2",
"formula_reduced": "CaIn4Pd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-21974",
"created_at": "2022-09-04T14:37:35.047339Z",
"updated_at": "2022-09-04T14:37:35.047363Z",
"structure_string": "Rb2 Th1 F6\n1.0\n3.423156 -5.929081 0.000000\n3.423156 5.929081 -0.000000\n0.000000 0.000000 3.839451\nRb Th F\n2 1 6\ndirect\n0.333334 0.666668 0.500000 Rb\n0.666668 0.333334 0.500000 Rb\n0.000000 0.000000 0.000000 Th\n0.000000 0.221375 0.500000 F\n0.778626 0.778626 0.500000 F\n0.221375 0.000000 0.500000 F\n0.662507 0.000000 0.000000 F\n0.337494 0.337494 0.000000 F\n0.000000 0.662507 0.000000 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Th",
"F"
],
"chemical_system": "F-Rb-Th",
"density": 5.508029596995122,
"density_atomic": 0.05774698436597339,
"volume": 155.85229425942327,
"volume_molar": 10.428493931102077,
"formula_full": "Rb2 Th1 F6",
"formula_reduced": "Rb2ThF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-37975",
"created_at": "2022-09-04T14:37:56.595383Z",
"updated_at": "2022-09-04T14:37:56.595410Z",
"structure_string": "Ca1 Ac1 In2\n1.0\n0.000006 3.987971 3.987969\n3.987973 0.000003 3.987972\n3.987976 3.987977 -0.000001\nCa Ac In\n1 1 2\ndirect\n0.749998 0.750000 0.749999 Ca\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 In\n0.499999 0.499999 0.499999 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ac",
"In"
],
"chemical_system": "Ac-Ca-In",
"density": 6.5023345468472735,
"density_atomic": 0.031533618076605256,
"volume": 126.84874885852678,
"volume_molar": 19.09752552139844,
"formula_full": "Ca1 Ac1 In2",
"formula_reduced": "CaAcIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38604",
"created_at": "2022-09-04T14:37:44.472062Z",
"updated_at": "2022-09-04T14:37:44.472083Z",
"structure_string": "K3 Ag1\n1.0\n5.612954 0.000000 -0.000000\n0.000000 5.612954 -0.000000\n0.000000 0.000000 5.612954\nK Ag\n3 1\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ag"
],
"chemical_system": "Ag-K",
"density": 2.114325597162536,
"density_atomic": 0.02261963236957391,
"volume": 176.83753363650925,
"volume_molar": 26.623512980257335,
"formula_full": "K3 Ag1",
"formula_reduced": "K3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-41284",
"created_at": "2022-09-04T14:37:44.682163Z",
"updated_at": "2022-09-04T14:37:44.682183Z",
"structure_string": "Na1 Cd2 Pt1\n1.0\n0.000000 3.370961 3.370961\n3.370961 0.000000 3.370961\n3.370961 3.370961 0.000000\nNa Cd Pt\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.500001 0.500001 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n0.749999 0.749999 0.749999 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Pt"
],
"chemical_system": "Cd-Na-Pt",
"density": 9.599739530095437,
"density_atomic": 0.05221181753307826,
"volume": 76.61100856076962,
"volume_molar": 11.53405693296299,
"formula_full": "Na1 Cd2 Pt1",
"formula_reduced": "NaCd2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}