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=1178",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1176",
"results": [
{
"id": "jvasp-48021",
"created_at": "2022-09-04T14:36:15.868122Z",
"updated_at": "2022-09-04T14:36:15.868133Z",
"structure_string": "Mn6 O1 F11\n1.0\n-4.884241 4.884241 3.302710\n-0.043811 4.831775 -3.289870\n-4.831775 0.043811 -3.289870\nMn O F\n6 1 11\ndirect\n0.843689 0.645203 0.667120 Mn\n0.669276 0.325690 0.339362 Mn\n0.330725 0.660638 0.674310 Mn\n0.156311 0.332880 0.354797 Mn\n0.500000 0.997929 0.002072 Mn\n0.000000 0.027497 0.972503 Mn\n0.000000 0.310916 0.689084 O\n0.333696 0.966481 0.366678 F\n0.370868 0.426183 0.440951 F\n0.032416 0.777032 0.763746 F\n0.702916 0.104031 0.095793 F\n0.325137 0.364120 0.991985 F\n0.629132 0.559049 0.573817 F\n0.297084 0.904207 0.895970 F\n0.666305 0.633322 0.033519 F\n0.674863 0.008015 0.635880 F\n0.967585 0.236254 0.222968 F\n0.000000 0.720552 0.279448 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.9873242917337293,
"density_atomic": 0.07793224512634553,
"volume": 230.96986325516468,
"volume_molar": 7.727405710225297,
"formula_full": "Mn6 O1 F11",
"formula_reduced": "Mn6OF11",
"formula_anonymous": "AB6C11",
"energy_above_hull": 1.6993033364319925,
"spacegroup": 5
},
{
"id": "jvasp-66290",
"created_at": "2022-09-04T14:35:46.697312Z",
"updated_at": "2022-09-04T14:35:46.697334Z",
"structure_string": "Ba1 Na1 La1\n1.0\n-0.000000 3.964391 3.964391\n3.964391 0.000000 3.964391\n3.964391 3.964391 0.000000\nBa Na La\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 La\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"La"
],
"chemical_system": "Ba-La-Na",
"density": 3.9873423547132276,
"density_atomic": 0.02407475158043446,
"volume": 124.61187771665726,
"volume_molar": 25.01434226592058,
"formula_full": "Ba1 Na1 La1",
"formula_reduced": "BaNaLa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5245133233333332,
"spacegroup": 216
},
{
"id": "jvasp-43144",
"created_at": "2022-09-04T14:36:15.217323Z",
"updated_at": "2022-09-04T14:36:15.217337Z",
"structure_string": "Fe1 Ni3 P4 O16\n1.0\n0.000000 4.681829 -0.011852\n5.668202 0.000000 0.000000\n0.000000 0.017879 -9.601153\nFe Ni P O\n1 3 4 16\ndirect\n0.065478 0.000000 0.272591 Fe\n0.935543 0.500000 0.729065 Ni\n0.566287 0.500000 0.226155 Ni\n0.432815 0.000000 0.771932 Ni\n0.886238 0.000000 0.593012 P\n0.619558 0.000000 0.083954 P\n0.385068 0.500000 0.910564 P\n0.109974 0.500000 0.413312 P\n0.265604 0.711548 0.336345 O\n0.210067 0.000000 0.610194 O\n0.297986 0.000000 0.112428 O\n0.226432 0.287640 0.836392 O\n0.226432 0.712360 0.836392 O\n0.322922 0.500000 0.067235 O\n0.679098 0.000000 0.927989 O\n0.787950 0.500000 0.391106 O\n0.772325 0.211352 0.160293 O\n0.709351 0.500000 0.891011 O\n0.265604 0.288451 0.336345 O\n0.727716 0.786574 0.664815 O\n0.727716 0.213425 0.664815 O\n0.830860 0.000000 0.434854 O\n0.772325 0.788648 0.160293 O\n0.176656 0.500000 0.568900 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Fe",
"Ni",
"P",
"O"
],
"chemical_system": "Fe-Ni-O-P",
"density": 3.9873459644121945,
"density_atomic": 0.09419525630017347,
"volume": 254.78990070921225,
"volume_molar": 6.393252692905417,
"formula_full": "Fe1 Ni3 P4 O16",
"formula_reduced": "FeNi3(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 2.9609383625000003,
"spacegroup": 6
},
{
"id": "jvasp-3657",
"created_at": "2022-09-04T14:35:56.937736Z",
"updated_at": "2022-09-04T14:35:56.937746Z",
"structure_string": "Rb2 Pt1 Cl6\n1.0\n6.049393 -0.000000 3.492619\n2.016464 5.703423 3.492619\n-0.000000 -0.000000 6.985237\nRb Pt Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Pt\n0.238153 0.761846 0.761848 Cl\n0.238153 0.761846 0.238154 Cl\n0.761846 0.238153 0.761848 Cl\n0.761846 0.238153 0.238154 Cl\n0.761846 0.761846 0.238154 Cl\n0.238153 0.238153 0.761847 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Pt",
"Cl"
],
"chemical_system": "Cl-Pt-Rb",
"density": 3.987514438028046,
"density_atomic": 0.037343410749486695,
"volume": 241.00637353066924,
"volume_molar": 16.126381171764756,
"formula_full": "Rb2 Pt1 Cl6",
"formula_reduced": "Rb2PtCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0307884227777777,
"spacegroup": 225
},
{
"id": "jvasp-65565",
"created_at": "2022-09-04T14:35:49.140472Z",
"updated_at": "2022-09-04T14:35:49.140498Z",
"structure_string": "Ba2 Mg1 Mn1\n1.0\n-0.000000 4.192380 4.192380\n4.192380 -0.000000 4.192380\n4.192380 4.192380 -0.000000\nBa Mg Mn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Mn"
],
"chemical_system": "Ba-Mg-Mn",
"density": 3.987623224032191,
"density_atomic": 0.027142389234999807,
"volume": 147.37096153797856,
"volume_molar": 22.187216857956326,
"formula_full": "Ba2 Mg1 Mn1",
"formula_reduced": "Ba2MgMn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8053070578448274,
"spacegroup": 225
},
{
"id": "jvasp-71333",
"created_at": "2022-09-04T14:35:59.053069Z",
"updated_at": "2022-09-04T14:35:59.053096Z",
"structure_string": "Na1 Be2 Tc1\n1.0\n3.034120 0.000000 0.000000\n0.000000 3.034120 -0.000000\n0.000000 0.000000 6.288005\nNa Be Tc\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.660850 Be\n0.000000 0.000000 0.339151 Be\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Tc"
],
"chemical_system": "Be-Na-Tc",
"density": 3.9877660254376712,
"density_atomic": 0.06910056629439262,
"volume": 57.88664571804808,
"volume_molar": 8.715038215958419,
"formula_full": "Na1 Be2 Tc1",
"formula_reduced": "NaBe2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.154950675,
"spacegroup": 123
},
{
"id": "jvasp-9949",
"created_at": "2022-09-04T14:37:15.892301Z",
"updated_at": "2022-09-04T14:37:15.892332Z",
"structure_string": "Mo2 F10\n1.0\n3.574547 -0.000000 -0.000000\n-1.787273 5.400660 0.000000\n-0.000000 -0.000000 8.236551\nMo F\n2 10\ndirect\n0.500000 0.000000 0.500000 Mo\n0.500000 0.000000 0.000000 Mo\n0.466426 0.932850 0.250000 F\n0.533575 0.067150 0.750000 F\n0.081346 0.162690 0.579249 F\n0.918656 0.837310 0.420751 F\n0.340929 0.681857 0.910372 F\n0.659072 0.318143 0.089627 F\n0.659072 0.318143 0.410373 F\n0.340929 0.681857 0.589627 F\n0.081346 0.162690 0.920751 F\n0.918656 0.837310 0.079249 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"F"
],
"chemical_system": "F-Mo",
"density": 3.987903224580871,
"density_atomic": 0.07546889746552475,
"volume": 159.0059004834643,
"volume_molar": 7.9796326198497844,
"formula_full": "Mo2 F10",
"formula_reduced": "MoF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.5916028854166664,
"spacegroup": 63
},
{
"id": "jvasp-68744",
"created_at": "2022-09-04T14:36:18.212765Z",
"updated_at": "2022-09-04T14:36:18.212775Z",
"structure_string": "Na1 Be2 Tc1\n1.0\n3.034328 0.000000 0.000000\n0.000000 3.034328 0.000000\n0.000000 0.000000 6.286868\nNa Be Tc\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.160816 Be\n0.000000 0.000000 0.839184 Be\n0.500000 0.500000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Tc"
],
"chemical_system": "Be-Na-Tc",
"density": 3.9879404310746547,
"density_atomic": 0.0691035884196135,
"volume": 57.884114146302274,
"volume_molar": 8.714657078923489,
"formula_full": "Na1 Be2 Tc1",
"formula_reduced": "NaBe2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.154918175,
"spacegroup": 123
},
{
"id": "jvasp-91539",
"created_at": "2022-09-04T14:35:52.790067Z",
"updated_at": "2022-09-04T14:35:52.790093Z",
"structure_string": "Y2 Cl2 O4\n1.0\n0.000000 -3.586184 0.000000\n-5.868620 0.000000 1.845155\n0.183961 0.000000 -6.244804\nY Cl O\n2 2 4\ndirect\n0.749999 0.690949 0.838872 Y\n0.250000 0.309051 0.161127 Y\n0.250000 0.749259 0.519106 Cl\n0.749999 0.250741 0.480893 Cl\n0.250000 0.916091 0.059861 O\n0.749999 0.083909 0.940138 O\n0.250000 0.446556 0.865404 O\n0.749999 0.553444 0.134594 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Cl",
"O"
],
"chemical_system": "Cl-O-Y",
"density": 3.987971333295757,
"density_atomic": 0.061438950314874605,
"volume": 130.21055794410552,
"volume_molar": 9.801828854719245,
"formula_full": "Y2 Cl2 O4",
"formula_reduced": "YClO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.452979129375,
"spacegroup": 11
},
{
"id": "jvasp-103199",
"created_at": "2022-09-04T14:36:32.780612Z",
"updated_at": "2022-09-04T14:36:32.780626Z",
"structure_string": "Rb2 In1 As1 F6\n1.0\n5.662213 -0.000000 3.269079\n1.887405 5.338386 3.269079\n0.000000 0.000000 6.538160\nRb In As F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.775729 0.224270 0.224270 F\n0.224270 0.224270 0.775730 F\n0.224269 0.775731 0.775730 F\n0.224269 0.775731 0.224270 F\n0.775729 0.224270 0.775730 F\n0.775729 0.775731 0.224271 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"As",
"F"
],
"chemical_system": "As-F-In-Rb",
"density": 3.9882755301352653,
"density_atomic": 0.05059973941428088,
"volume": 197.6294762731066,
"volume_molar": 11.90152524441728,
"formula_full": "Rb2 In1 As1 F6",
"formula_reduced": "Rb2InAsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-114079",
"created_at": "2022-09-04T14:38:52.179402Z",
"updated_at": "2022-09-04T14:38:52.179422Z",
"structure_string": "Ba1 Sr1 S1\n1.0\n5.554380 0.000000 0.000000\n-2.777190 4.810234 -0.000000\n-0.000000 0.000000 4.005009\nBa Sr S\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666667 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"S"
],
"chemical_system": "Ba-S-Sr",
"density": 3.988386248077118,
"density_atomic": 0.028035994505473297,
"volume": 107.00529989811234,
"volume_molar": 21.48003260174821,
"formula_full": "Ba1 Sr1 S1",
"formula_reduced": "BaSrS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1416407599999999,
"spacegroup": 187
},
{
"id": "jvasp-88070",
"created_at": "2022-09-04T14:35:55.012633Z",
"updated_at": "2022-09-04T14:35:55.012658Z",
"structure_string": "Cu2 B8 O14\n1.0\n5.145428 0.000000 -0.000000\n-0.000000 5.583328 -2.997902\n0.000000 0.007508 6.337264\nCu B O\n2 8 14\ndirect\n0.750000 0.719763 0.719763 Cu\n0.250000 0.280237 0.280237 Cu\n0.750000 0.299880 0.072372 B\n0.500000 0.703293 0.296708 B\n0.750000 0.072372 0.299880 B\n0.250000 0.927629 0.700120 B\n0.000000 0.296708 0.703292 B\n0.500000 0.296708 0.703292 B\n0.250000 0.700120 0.927628 B\n0.000000 0.703293 0.296708 B\n0.479061 0.810748 0.556032 O\n0.020940 0.810748 0.556032 O\n0.979061 0.443969 0.189253 O\n0.250000 0.923685 0.923685 O\n0.250000 0.197882 0.756708 O\n0.979061 0.189253 0.443968 O\n0.250000 0.756709 0.197882 O\n0.479061 0.556032 0.810747 O\n0.020940 0.556032 0.810747 O\n0.750000 0.802118 0.243292 O\n0.750000 0.243292 0.802118 O\n0.750000 0.076315 0.076315 O\n0.520940 0.189253 0.443968 O\n0.520940 0.443969 0.189253 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-O",
"density": 3.988463271585869,
"density_atomic": 0.1317402897951185,
"volume": 182.1766145901502,
"volume_molar": 4.571221734342309,
"formula_full": "Cu2 B8 O14",
"formula_reduced": "CuB4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.3083471069444443,
"spacegroup": 63
}
]
}