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&page=4044",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4042",
"results": [
{
"id": "jvasp-5473",
"created_at": "2022-09-04T14:37:57.396425Z",
"updated_at": "2022-09-04T14:37:57.396462Z",
"structure_string": "Zr2 Fe2 Cl12\n1.0\n3.113815 -5.393285 0.000000\n3.113815 5.393285 0.000000\n0.000000 0.000000 11.713574\nZr Fe Cl\n2 2 12\ndirect\n0.333332 0.666666 0.750000 Zr\n0.666666 0.333332 0.250000 Zr\n0.000000 0.000000 0.750000 Fe\n0.000000 0.000000 0.250000 Fe\n0.013846 0.331147 0.871363 Cl\n0.317299 0.986153 0.871363 Cl\n0.668852 0.682699 0.871363 Cl\n0.668852 0.986153 0.628636 Cl\n0.682699 0.668852 0.371363 Cl\n0.986153 0.317299 0.371363 Cl\n0.331147 0.013846 0.371363 Cl\n0.331146 0.317300 0.128637 Cl\n0.682699 0.013845 0.128637 Cl\n0.986153 0.668852 0.128637 Cl\n0.317300 0.331146 0.628636 Cl\n0.013845 0.682699 0.628636 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe-Zr",
"density": 3.037099093309285,
"density_atomic": 0.04066814698318164,
"volume": 393.4283016783828,
"volume_molar": 14.808003822968535,
"formula_full": "Zr2 Fe2 Cl12",
"formula_reduced": "ZrFeCl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.036325550625,
"spacegroup": 163
},
{
"id": "jvasp-16237",
"created_at": "2022-09-04T14:38:00.031390Z",
"updated_at": "2022-09-04T14:38:00.031411Z",
"structure_string": "Si2\n1.0\n1.365910 -2.365826 -0.000000\n1.365910 2.365826 -0.000000\n0.000000 0.000000 4.752014\nSi\n2\ndirect\n0.666667 0.333333 0.749999 Si\n0.333333 0.666667 0.250000 Si\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.0370270569198707,
"density_atomic": 0.06512045160321313,
"volume": 30.712317724487608,
"volume_molar": 9.247695020135364,
"formula_full": "Si2",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.6958600000000001,
"spacegroup": 194
},
{
"id": "jvasp-25124",
"created_at": "2022-09-04T14:37:52.562424Z",
"updated_at": "2022-09-04T14:37:52.562449Z",
"structure_string": "Si2\n1.0\n2.731822 -0.000000 0.000000\n-1.365912 2.365828 -0.000000\n-0.000000 -0.000000 4.752008\nSi\n2\ndirect\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.0370261006835046,
"density_atomic": 0.06512043109943003,
"volume": 30.712327394551064,
"volume_molar": 9.247697931859529,
"formula_full": "Si2",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.6958699999999998,
"spacegroup": 194
},
{
"id": "jvasp-48274",
"created_at": "2022-09-04T14:35:41.095552Z",
"updated_at": "2022-09-04T14:35:41.095570Z",
"structure_string": "Li2 Mn2 C3 O9\n1.0\n4.858622 0.000000 0.000000\n0.000000 5.016718 3.407862\n0.000000 -5.016718 3.407862\nLi Mn C O\n2 2 3 9\ndirect\n0.000000 0.862601 0.862601 Li\n0.500000 0.589296 0.589296 Li\n0.500000 0.182849 0.750915 Mn\n0.500000 0.750915 0.182849 Mn\n0.000000 0.420049 0.827842 C\n0.000000 0.827842 0.420049 C\n0.500000 0.201150 0.201150 C\n0.000000 0.219057 0.853799 O\n0.000000 0.853799 0.219057 O\n0.231418 0.520815 0.813272 O\n0.231418 0.813272 0.520815 O\n0.500000 0.178976 0.402425 O\n0.500000 0.007862 0.007862 O\n0.500000 0.402425 0.178976 O\n0.768581 0.520815 0.813272 O\n0.768581 0.813272 0.520815 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O",
"density": 3.0364793090345668,
"density_atomic": 0.09631084331853737,
"volume": 166.12874987587622,
"volume_molar": 6.252816975220995,
"formula_full": "Li2 Mn2 C3 O9",
"formula_reduced": "Li2Mn2(CO3)3",
"formula_anonymous": "A2B2C3D9",
"energy_above_hull": 3.7731428739224135,
"spacegroup": 38
},
{
"id": "jvasp-118089",
"created_at": "2022-09-04T14:38:51.847961Z",
"updated_at": "2022-09-04T14:38:51.847988Z",
"structure_string": "Sc2 N2 Cl2\n1.0\n3.480116 -0.000000 0.000000\n-1.740058 3.013868 0.000000\n-0.000000 -0.000000 9.845621\nSc N Cl\n2 2 2\ndirect\n0.000000 0.000000 0.827025 Sc\n0.000000 0.000000 0.172974 Sc\n0.666667 0.333333 0.899075 N\n0.333333 0.666666 0.100925 N\n0.333333 0.666666 0.653128 Cl\n0.666667 0.333333 0.346872 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 3.036420006315043,
"density_atomic": 0.05810188051578304,
"volume": 103.2668813252978,
"volume_molar": 10.36479491978598,
"formula_full": "Sc2 N2 Cl2",
"formula_reduced": "ScNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9056908558333328,
"spacegroup": 164
},
{
"id": "jvasp-70324",
"created_at": "2022-09-04T14:36:07.501093Z",
"updated_at": "2022-09-04T14:36:07.501122Z",
"structure_string": "Na1 Mn1 Be2\n1.0\n-2.101143 2.101143 2.971543\n2.101143 -2.101143 2.971543\n2.101143 2.101143 -2.971543\nNa Mn Be\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Na\n0.250000 0.749999 0.499999 Mn\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mn",
"Be"
],
"chemical_system": "Be-Mn-Na",
"density": 3.0363421190264996,
"density_atomic": 0.07622663693680663,
"volume": 52.475094805980724,
"volume_molar": 7.90031018289902,
"formula_full": "Na1 Mn1 Be2",
"formula_reduced": "NaMnBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9660346103448276,
"spacegroup": 225
},
{
"id": "jvasp-37443",
"created_at": "2022-09-04T14:37:56.577314Z",
"updated_at": "2022-09-04T14:37:56.577345Z",
"structure_string": "Y1 Mg2 Sc1\n1.0\n0.000000 3.681499 3.681499\n3.681499 0.000000 3.681499\n3.681499 3.681499 0.000000\nY Mg Sc\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Y\n0.500001 0.500001 0.500001 Mg\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Sc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc-Y",
"density": 3.0362722265328776,
"density_atomic": 0.040082604650199964,
"volume": 99.7939139661186,
"volume_molar": 15.024324922382402,
"formula_full": "Y1 Mg2 Sc1",
"formula_reduced": "YMg2Sc",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9365646999999998,
"spacegroup": 225
},
{
"id": "jvasp-105327",
"created_at": "2022-09-04T14:36:57.456700Z",
"updated_at": "2022-09-04T14:36:57.456722Z",
"structure_string": "K2 Cr1 F6\n1.0\n4.968771 -0.000000 2.868722\n1.656257 4.684603 2.868722\n-0.000000 -0.000000 5.737443\nK Cr F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Cr\n0.772823 0.227177 0.227177 F\n0.227178 0.772822 0.772822 F\n0.227178 0.772822 0.227177 F\n0.772823 0.227177 0.772822 F\n0.227177 0.227177 0.772822 F\n0.772823 0.772822 0.227177 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Cr",
"F"
],
"chemical_system": "Cr-F-K",
"density": 3.0361594587948764,
"density_atomic": 0.06739106997732262,
"volume": 133.54885154707497,
"volume_molar": 8.936110915031437,
"formula_full": "K2 Cr1 F6",
"formula_reduced": "K2CrF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0672010775925922,
"spacegroup": 225
},
{
"id": "jvasp-120315",
"created_at": "2022-09-04T14:38:47.634088Z",
"updated_at": "2022-09-04T14:38:47.634115Z",
"structure_string": "Mg2 Br2\n1.0\n4.313952 0.000000 0.000000\n0.000000 4.313952 -0.000000\n0.000000 0.000000 6.125398\nMg Br\n2 2\ndirect\n0.000000 0.000000 0.250086 Mg\n0.500000 0.500000 0.749915 Mg\n0.000000 0.000000 0.749866 Br\n0.500000 0.500000 0.250134 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 3.0359833960166296,
"density_atomic": 0.03508932887208057,
"volume": 113.99477073449157,
"volume_molar": 17.162313881675917,
"formula_full": "Mg2 Br2",
"formula_reduced": "MgBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.139035,
"spacegroup": 225
},
{
"id": "jvasp-26688",
"created_at": "2022-09-04T14:37:56.439535Z",
"updated_at": "2022-09-04T14:37:56.439545Z",
"structure_string": "K6 Y2 B4 O12\n1.0\n5.562758 0.000000 0.000000\n0.000000 6.749168 0.000000\n0.000000 0.000000 9.435080\nK Y B O\n6 2 4 12\ndirect\n0.000000 0.234959 0.332245 K\n0.000000 0.765041 0.667755 K\n0.500000 0.734959 0.167755 K\n0.500000 0.500000 0.500000 K\n0.500000 0.265041 0.832245 K\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.738098 0.834608 B\n0.500000 0.261902 0.165392 B\n0.000000 0.761902 0.334608 B\n0.000000 0.238098 0.665392 B\n0.000000 0.692433 0.195794 O\n0.716322 0.297627 0.096001 O\n0.216322 0.202373 0.596001 O\n0.500000 0.192432 0.304206 O\n0.716322 0.702373 0.903999 O\n0.283678 0.297627 0.096001 O\n0.216322 0.797628 0.403999 O\n0.783679 0.202373 0.596001 O\n0.283678 0.702373 0.903999 O\n0.783679 0.797628 0.403999 O\n0.000000 0.307568 0.804206 O\n0.500000 0.807568 0.695794 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Y",
"B",
"O"
],
"chemical_system": "B-K-O-Y",
"density": 3.035957090132809,
"density_atomic": 0.06775248818144812,
"volume": 354.23053299128344,
"volume_molar": 8.888442213180554,
"formula_full": "K6 Y2 B4 O12",
"formula_reduced": "K3Y(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.168439634722222,
"spacegroup": 58
},
{
"id": "jvasp-39244",
"created_at": "2022-09-04T14:35:48.938274Z",
"updated_at": "2022-09-04T14:35:48.938302Z",
"structure_string": "K1 Ba1 O3\n1.0\n4.969643 0.000000 0.000000\n0.000000 4.969966 0.000000\n0.000000 0.000000 4.969986\nK Ba O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ba",
"O"
],
"chemical_system": "Ba-K-O",
"density": 3.0358733775255655,
"density_atomic": 0.04073204636616398,
"volume": 122.75346922303144,
"volume_molar": 14.784773408788464,
"formula_full": "K1 Ba1 O3",
"formula_reduced": "KBaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.094426894,
"spacegroup": 221
},
{
"id": "jvasp-120318",
"created_at": "2022-09-04T14:38:47.679610Z",
"updated_at": "2022-09-04T14:38:47.679644Z",
"structure_string": "Mg1 Br1\n1.0\n3.637005 0.868648 0.167850\n-1.054260 -3.552944 -0.450561\n0.572731 -1.512125 -4.921911\nMg Br\n1 1\ndirect\n0.127939 0.980666 0.936962 Mg\n0.916999 0.562270 0.563130 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 3.035791641817086,
"density_atomic": 0.03508711261286808,
"volume": 57.000985577436964,
"volume_molar": 17.16339793030276,
"formula_full": "Mg1 Br1",
"formula_reduced": "MgBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.12956,
"spacegroup": 160
}
]
}