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=-nelements&page=3585",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=3583",
"results": [
{
"id": "jvasp-115853",
"created_at": "2022-09-04T14:38:47.699467Z",
"updated_at": "2022-09-04T14:38:47.699491Z",
"structure_string": "Cd1 P2\n1.0\n4.297456 -0.042242 0.033225\n1.602577 -5.559379 -0.316428\n-1.262443 1.776233 -2.516488\nCd P\n1 2\ndirect\n0.066151 0.210930 0.095899 Cd\n0.603723 0.862013 0.018504 P\n0.528625 0.559881 0.178059 P\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"P"
],
"chemical_system": "Cd-P",
"density": 4.6539542278285335,
"density_atomic": 0.04822265092172837,
"volume": 62.211428502124235,
"volume_molar": 12.488199310682269,
"formula_full": "Cd1 P2",
"formula_reduced": "CdP2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4773408333333335,
"spacegroup": 12
},
{
"id": "jvasp-40256",
"created_at": "2022-09-04T14:38:32.305384Z",
"updated_at": "2022-09-04T14:38:32.305410Z",
"structure_string": "Sm2 Ga6\n1.0\n3.205904 -5.552788 -0.000000\n3.205904 5.552788 0.000000\n-0.000000 0.000000 4.524085\nSm Ga\n2 6\ndirect\n0.333332 0.666666 0.749999 Sm\n0.666666 0.333332 0.250000 Sm\n0.709259 0.854629 0.250000 Ga\n0.145370 0.854629 0.250000 Ga\n0.145370 0.290740 0.250000 Ga\n0.290740 0.145370 0.749999 Ga\n0.854629 0.145370 0.749999 Ga\n0.854629 0.709259 0.749999 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Ga"
],
"chemical_system": "Ga-Sm",
"density": 7.412943022285414,
"density_atomic": 0.049666965770761,
"volume": 161.07285548555916,
"volume_molar": 12.125042604364692,
"formula_full": "Sm2 Ga6",
"formula_reduced": "SmGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-34767",
"created_at": "2022-09-04T14:38:32.303525Z",
"updated_at": "2022-09-04T14:38:32.303536Z",
"structure_string": "Sc7 Cl12\n1.0\n7.686825 -0.001858 -2.411273\n-3.283013 6.950476 -2.411272\n-0.001176 -0.001858 8.056148\nSc Cl\n7 12\ndirect\n0.312306 0.031217 0.104978 Sc\n0.031217 0.104977 0.312306 Sc\n0.687694 0.968783 0.895023 Sc\n0.895023 0.687693 0.968783 Sc\n0.968783 0.895022 0.687695 Sc\n0.500000 0.500000 0.500000 Sc\n0.104978 0.312306 0.031218 Sc\n0.225606 0.684516 0.075988 Cl\n0.684516 0.075987 0.225606 Cl\n0.613193 0.844873 0.533348 Cl\n0.315484 0.924013 0.774395 Cl\n0.075987 0.225606 0.684516 Cl\n0.466653 0.386807 0.155127 Cl\n0.155127 0.466653 0.386808 Cl\n0.386807 0.155127 0.466653 Cl\n0.533347 0.613193 0.844874 Cl\n0.844873 0.533347 0.613193 Cl\n0.774394 0.315484 0.924013 Cl\n0.924014 0.774394 0.315485 Cl\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Sc",
"Cl"
],
"chemical_system": "Cl-Sc",
"density": 2.8561806590840324,
"density_atomic": 0.0441553879119565,
"volume": 430.2985637423227,
"volume_molar": 13.638518524642631,
"formula_full": "Sc7 Cl12",
"formula_reduced": "Sc7Cl12",
"formula_anonymous": "A7B12",
"energy_above_hull": 1.1897429242105262,
"spacegroup": 148
},
{
"id": "jvasp-111068",
"created_at": "2022-09-04T14:38:37.271995Z",
"updated_at": "2022-09-04T14:38:37.272024Z",
"structure_string": "Er1 Zr1\n1.0\n3.360347 0.000000 0.000000\n-1.680174 2.910146 0.000000\n-0.000000 -0.000000 5.310471\nEr Zr\n1 1\ndirect\n0.666668 0.333334 0.500000 Er\n0.333335 0.666668 -0.000000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Zr"
],
"chemical_system": "Er-Zr",
"density": 8.265119504284216,
"density_atomic": 0.038512175323113476,
"volume": 51.931628977594514,
"volume_molar": 15.636978979958451,
"formula_full": "Er1 Zr1",
"formula_reduced": "ErZr",
"formula_anonymous": "AB",
"energy_above_hull": 1.9199072500000005,
"spacegroup": 187
},
{
"id": "jvasp-110837",
"created_at": "2022-09-04T14:38:37.205415Z",
"updated_at": "2022-09-04T14:38:37.205441Z",
"structure_string": "Nd3 Pa1\n1.0\n4.563346 0.021406 -4.194255\n-0.865685 4.480533 -4.194255\n-0.017582 -0.021406 6.198032\nNd Pa\n3 1\ndirect\n0.750001 0.250000 0.500000 Nd\n0.250001 0.749999 0.499999 Nd\n0.500001 0.500000 -0.000000 Nd\n0.000000 0.000000 0.000000 Pa\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Pa"
],
"chemical_system": "Nd-Pa",
"density": 8.745908460034357,
"density_atomic": 0.031739750911036375,
"volume": 126.02493356711068,
"volume_molar": 18.973497230269736,
"formula_full": "Nd3 Pa1",
"formula_reduced": "Nd3Pa",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4764244000000004,
"spacegroup": 139
},
{
"id": "jvasp-110563",
"created_at": "2022-09-04T14:38:38.455571Z",
"updated_at": "2022-09-04T14:38:38.455581Z",
"structure_string": "Mo1 Cl6\n1.0\n6.018130 0.000000 0.000000\n-3.009065 5.211853 -0.000000\n0.000000 0.000000 5.518722\nMo Cl\n1 6\ndirect\n0.000000 0.000000 0.500000 Mo\n0.313095 0.313095 0.258251 Cl\n-0.000001 0.686905 0.258251 Cl\n0.686905 -0.000000 0.258251 Cl\n-0.000000 0.313095 0.741749 Cl\n0.313095 -0.000000 0.741749 Cl\n0.686904 0.686905 0.741749 Cl\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Mo",
"Cl"
],
"chemical_system": "Cl-Mo",
"density": 2.9609726433814125,
"density_atomic": 0.04043950208897877,
"volume": 173.09807585162514,
"volume_molar": 14.89172825805205,
"formula_full": "Mo1 Cl6",
"formula_reduced": "MoCl6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.9592271864285712,
"spacegroup": 162
},
{
"id": "jvasp-113489",
"created_at": "2022-09-04T14:38:46.136245Z",
"updated_at": "2022-09-04T14:38:46.136272Z",
"structure_string": "Rb1 Cl1\n1.0\n5.356529 0.000000 -0.000000\n-2.678265 4.638890 0.000000\n0.000000 -0.000000 4.831372\nRb Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.333335 0.666667 0.000000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Cl"
],
"chemical_system": "Cl-Rb",
"density": 1.6725615021541271,
"density_atomic": 0.016659500762829894,
"volume": 120.05161670044347,
"volume_molar": 36.14838671178187,
"formula_full": "Rb1 Cl1",
"formula_reduced": "RbCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.1801249999999999,
"spacegroup": 187
},
{
"id": "jvasp-112213",
"created_at": "2022-09-04T14:38:46.752969Z",
"updated_at": "2022-09-04T14:38:46.752996Z",
"structure_string": "H22 C30\n1.0\n5.671972 -0.083043 -0.036443\n-0.736786 7.193366 -0.728764\n0.059091 -0.066827 11.747460\nH C\n22 30\ndirect\n0.713888 0.753312 0.402885 H\n0.325165 0.009341 0.775926 H\n0.674834 0.990660 0.224075 H\n0.343280 0.129678 0.981990 H\n0.656719 0.870322 0.018011 H\n0.980196 0.695162 0.933413 H\n0.679846 0.352523 0.945331 H\n0.320153 0.647477 0.054669 H\n0.659286 0.229740 0.739780 H\n0.340712 0.770260 0.260221 H\n0.371264 0.771105 0.490422 H\n0.019803 0.304838 0.066587 H\n0.066248 0.579399 0.589146 H\n0.933751 0.420602 0.410854 H\n0.146922 0.492956 0.783735 H\n0.853077 0.507045 0.216266 H\n0.541469 0.596968 0.876688 H\n0.458530 0.403033 0.123312 H\n0.849849 0.785092 0.777166 H\n0.150149 0.214909 0.222834 H\n0.286111 0.246688 0.597115 H\n0.628735 0.228896 0.509579 H\n0.588339 0.267944 0.425311 C\n0.411659 0.732057 0.574690 C\n0.008691 0.888719 0.255925 C\n0.991308 0.111282 0.744075 C\n0.191199 0.793142 0.207102 C\n0.808799 0.206859 0.792899 C\n0.804783 0.845207 0.071270 C\n0.821015 0.276744 0.908298 C\n0.986189 0.748919 0.023546 C\n0.013810 0.251082 0.976455 C\n0.195216 0.154793 0.928731 C\n0.238262 0.624568 0.630625 C\n0.178984 0.723257 0.091703 C\n0.761736 0.375433 0.369375 C\n0.988932 0.046049 0.619600 C\n0.717554 0.423146 0.259927 C\n0.503495 0.635794 0.792100 C\n0.496504 0.364207 0.207901 C\n0.677393 0.742852 0.736260 C\n0.322606 0.257148 0.263741 C\n0.634246 0.795042 0.626794 C\n0.365753 0.204958 0.373207 C\n0.163349 0.134819 0.553710 C\n0.836650 0.865182 0.446290 C\n0.815174 0.913670 0.186970 C\n0.011066 0.953952 0.380401 C\n0.819585 0.905841 0.565268 C\n0.180414 0.094160 0.434732 C\n0.282444 0.576854 0.740074 C\n0.184824 0.086330 0.813030 C\n",
"nsites": 52,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.327859849899747,
"density_atomic": 0.10871261716666544,
"volume": 478.3253439688578,
"volume_molar": 5.539504904722843,
"formula_full": "H22 C30",
"formula_reduced": "H11C15",
"formula_anonymous": "A11B15",
"energy_above_hull": 5.847694999999999,
"spacegroup": 2
},
{
"id": "jvasp-115398",
"created_at": "2022-09-04T14:38:46.145605Z",
"updated_at": "2022-09-04T14:38:46.145631Z",
"structure_string": "Pd1 F2\n1.0\n3.241059 0.000000 0.000000\n0.000000 2.803658 0.000000\n0.000000 0.000000 4.719368\nPd F\n1 2\ndirect\n0.466669 0.000000 0.000000 Pd\n-0.033335 0.000000 0.743509 F\n-0.033335 0.000000 0.256493 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pd",
"F"
],
"chemical_system": "F-Pd",
"density": 5.592049642853617,
"density_atomic": 0.06995607562017786,
"volume": 42.88405221997175,
"volume_molar": 8.608459960928677,
"formula_full": "Pd1 F2",
"formula_reduced": "PdF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0897839666666665,
"spacegroup": 47
},
{
"id": "jvasp-20779",
"created_at": "2022-09-04T14:38:35.543097Z",
"updated_at": "2022-09-04T14:38:35.543126Z",
"structure_string": "Zr2 Be17\n1.0\n5.634899 0.005390 0.696113\n0.616066 5.601122 0.696113\n0.006009 0.005390 5.677730\nZr Be\n2 17\ndirect\n0.837471 0.837470 0.837469 Zr\n0.162530 0.162530 0.162530 Zr\n0.842381 0.842379 0.340282 Be\n0.842380 0.340283 0.842379 Be\n0.340283 0.842379 0.842379 Be\n0.659718 0.157620 0.157620 Be\n0.157621 0.157620 0.659717 Be\n0.157621 0.659717 0.157620 Be\n0.786225 0.500000 0.213774 Be\n0.403727 0.403726 0.403726 Be\n0.213776 0.500000 0.786224 Be\n0.500001 0.786225 0.213774 Be\n0.786225 0.213775 0.499999 Be\n0.500000 0.000000 0.500000 Be\n0.000001 0.500000 0.500000 Be\n0.500000 0.500000 -0.000001 Be\n0.596274 0.596273 0.596273 Be\n0.213776 0.786225 0.499999 Be\n0.500000 0.213775 0.786224 Be\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Zr",
"Be"
],
"chemical_system": "Be-Zr",
"density": 3.111390465249828,
"density_atomic": 0.10606345679446155,
"volume": 179.13804220825799,
"volume_molar": 5.677865819205005,
"formula_full": "Zr2 Be17",
"formula_reduced": "Zr2Be17",
"formula_anonymous": "A2B17",
"energy_above_hull": 2.633838563157895,
"spacegroup": 166
},
{
"id": "jvasp-113492",
"created_at": "2022-09-04T14:38:46.165922Z",
"updated_at": "2022-09-04T14:38:46.165961Z",
"structure_string": "Rb1 Cl1\n1.0\n4.503439 0.000000 0.000000\n0.000000 4.503439 -0.000000\n-0.000000 0.000000 4.880690\nRb Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Cl"
],
"chemical_system": "Cl-Rb",
"density": 2.0285247745583916,
"density_atomic": 0.020205062705108655,
"volume": 98.98509245874894,
"volume_molar": 29.805107996410033,
"formula_full": "Rb1 Cl1",
"formula_reduced": "RbCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.1263649999999999,
"spacegroup": 123
},
{
"id": "jvasp-54902",
"created_at": "2022-09-04T14:38:36.120272Z",
"updated_at": "2022-09-04T14:38:36.120300Z",
"structure_string": "Yb10 Ag6\n1.0\n7.040639 -0.000000 -3.315017\n-1.560845 6.865446 -3.315017\n-0.049899 -0.062516 9.028201\nYb Ag\n10 6\ndirect\n0.477227 0.312127 0.289353 Yb\n0.687873 0.187873 0.710646 Yb\n0.187873 0.022773 0.710647 Yb\n0.022774 0.522774 0.710647 Yb\n0.500000 0.500000 -0.000000 Yb\n0.812128 0.977227 0.289353 Yb\n0.312127 0.812127 0.289353 Yb\n0.522774 0.687873 0.710647 Yb\n0.977227 0.477226 0.289353 Yb\n0.000000 0.000000 0.000000 Yb\n0.869798 0.630203 -0.000000 Ag\n0.750001 0.750000 0.500000 Ag\n0.130203 0.369798 0.000000 Ag\n0.250000 0.250000 0.500000 Ag\n0.630203 0.130202 -0.000000 Ag\n0.369798 0.869798 0.000000 Ag\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Yb",
"Ag"
],
"chemical_system": "Ag-Yb",
"density": 9.107967037954365,
"density_atomic": 0.03691066441630946,
"volume": 433.4790568801083,
"volume_molar": 16.315449356525367,
"formula_full": "Yb10 Ag6",
"formula_reduced": "Yb5Ag3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.0,
"spacegroup": 140
}
]
}