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=3820",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3818",
"results": [
{
"id": "jvasp-48024",
"created_at": "2022-09-04T14:35:45.189678Z",
"updated_at": "2022-09-04T14:35:45.189704Z",
"structure_string": "Li4 Mn4 F12\n1.0\n6.134569 -0.000000 0.000000\n0.000000 6.134569 -0.000000\n0.000000 0.000000 6.134569\nLi Mn F\n4 4 12\ndirect\n0.624987 0.624987 0.624987 Li\n0.375013 0.124987 0.875013 Li\n0.875013 0.375013 0.124987 Li\n0.124987 0.875013 0.375013 Li\n0.336311 0.336311 0.336311 Mn\n0.163689 0.663689 0.836311 Mn\n0.836311 0.163689 0.663689 Mn\n0.663689 0.836311 0.163689 Mn\n0.766465 0.870705 0.493738 F\n0.733536 0.129295 0.993738 F\n0.506262 0.266465 0.629295 F\n0.629295 0.506262 0.266465 F\n0.370705 0.006262 0.233535 F\n0.006262 0.233535 0.370705 F\n0.266465 0.629295 0.506262 F\n0.233535 0.370705 0.006262 F\n0.993738 0.733536 0.129295 F\n0.129295 0.993738 0.733536 F\n0.493738 0.766465 0.870705 F\n0.870705 0.493738 0.766465 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.420146652292911,
"density_atomic": 0.08663189786709473,
"volume": 230.86184756892612,
"volume_molar": 6.951412710868686,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.419411617775862,
"spacegroup": 198
},
{
"id": "jvasp-43954",
"created_at": "2022-09-04T14:37:30.054222Z",
"updated_at": "2022-09-04T14:37:30.054246Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.184924 0.001166 0.050898\n-2.582740 4.482678 0.069462\n-0.078738 -0.065244 10.119584\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.685567 0.664483 0.662657 Li\n0.631696 0.650824 0.167990 Li\n0.374215 0.359988 0.416110 Li\n0.322308 0.332168 0.919489 Li\n0.650494 -0.008935 0.884247 Mn\n0.014177 0.341822 0.632457 Mn\n0.296522 -0.031159 0.146995 Fe\n0.039430 0.700955 0.365857 Fe\n0.347884 0.010933 0.621893 B\n-0.010858 0.658208 0.880334 B\n0.972790 0.309422 0.128706 B\n0.700313 0.028436 0.374759 B\n0.232023 0.923527 0.920685 O\n0.964198 0.282544 0.407019 O\n0.713994 0.041894 0.102421 O\n0.947299 0.558582 0.157659 O\n0.447902 0.055123 0.351878 O\n0.714150 0.634281 0.863667 O\n0.681321 0.754261 0.361304 O\n0.377356 0.290640 0.610446 O\n0.248221 0.329298 0.123031 O\n0.587866 0.979318 0.661735 O\n0.024690 0.413704 0.851182 O\n0.077041 0.760305 0.591276 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.4198858082506667,
"density_atomic": 0.1020046601740986,
"volume": 235.2833680249265,
"volume_molar": 5.903789836387461,
"formula_full": "Li4 Mn2 Fe2 B4 O12",
"formula_reduced": "Li2MnFe(BO3)2",
"formula_anonymous": "ABC2D2E6",
"energy_above_hull": 3.1267832423371646,
"spacegroup": 1
},
{
"id": "jvasp-4849",
"created_at": "2022-09-04T14:35:56.013323Z",
"updated_at": "2022-09-04T14:35:56.013340Z",
"structure_string": "Al2 N2\n1.0\n1.656458 -2.869069 0.000000\n1.656458 2.869069 0.000000\n0.000000 0.000000 4.187749\nAl N\n2 2\ndirect\n0.666668 0.333334 0.250000 Al\n0.333334 0.666668 0.750000 Al\n0.666668 0.333334 0.750000 N\n0.333334 0.666668 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"N"
],
"chemical_system": "Al-N",
"density": 3.4198439383083596,
"density_atomic": 0.10049117641685054,
"volume": 39.80448973358096,
"volume_molar": 5.992706001389986,
"formula_full": "Al2 N2",
"formula_reduced": "AlN",
"formula_anonymous": "AB",
"energy_above_hull": 1.5160380249999998,
"spacegroup": 194
},
{
"id": "jvasp-58927",
"created_at": "2022-09-04T14:37:03.815612Z",
"updated_at": "2022-09-04T14:37:03.815626Z",
"structure_string": "Ge2 P4 O14\n1.0\n4.698623 -0.031301 0.011515\n-1.831059 6.542357 0.005245\n-0.367786 -0.318797 7.803299\nGe P O\n2 4 14\ndirect\n0.499999 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.888353 0.254280 0.310476 P\n0.111645 0.745720 0.689524 P\n0.469232 0.858248 0.235783 P\n0.530767 0.141752 0.764217 P\n0.964882 0.236686 0.123160 O\n0.035116 0.763314 0.876840 O\n0.378953 0.667203 0.339554 O\n0.621046 0.332797 0.660446 O\n0.702438 0.405644 0.324007 O\n0.297560 0.594356 0.675994 O\n0.848909 0.709632 0.559231 O\n0.687249 0.032350 0.360014 O\n0.365542 0.165282 0.924291 O\n0.151089 0.290368 0.440770 O\n0.808476 0.072436 0.804424 O\n0.191522 0.927564 0.195576 O\n0.312749 0.967650 0.639987 O\n0.634457 0.834718 0.075710 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ge",
"P",
"O"
],
"chemical_system": "Ge-O-P",
"density": 3.4197423753701854,
"density_atomic": 0.0835180969274829,
"volume": 239.46905803380076,
"volume_molar": 7.210581875720786,
"formula_full": "Ge2 P4 O14",
"formula_reduced": "GeP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.622853145,
"spacegroup": 2
},
{
"id": "jvasp-68432",
"created_at": "2022-09-04T14:36:10.757530Z",
"updated_at": "2022-09-04T14:36:10.757560Z",
"structure_string": "Mg1 Mn1 Be2\n1.0\n2.887901 0.000000 0.000000\n0.000000 2.887901 0.000000\n-0.000000 0.000000 5.663313\nMg Mn Be\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.186555 Be\n0.000000 0.000000 0.813445 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Be"
],
"chemical_system": "Be-Mg-Mn",
"density": 3.41964700182831,
"density_atomic": 0.08468857477899414,
"volume": 47.23187289948521,
"volume_molar": 7.110924673978232,
"formula_full": "Mg1 Mn1 Be2",
"formula_reduced": "MgMnBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7925896228448277,
"spacegroup": 123
},
{
"id": "jvasp-46852",
"created_at": "2022-09-04T14:38:08.931045Z",
"updated_at": "2022-09-04T14:38:08.931067Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n4.794864 0.000001 0.000000\n-2.397432 1.384157 7.845599\n2.397432 -4.152474 -0.000000\nLi Co P O\n2 2 2 8\ndirect\n0.005416 0.016247 0.005416 Li\n0.570089 0.710268 0.570088 Li\n0.125321 0.375963 0.125321 Co\n0.450182 0.350548 0.450182 Co\n0.864877 0.594631 0.864876 P\n0.710626 0.131882 0.710626 P\n0.157984 0.525041 0.542619 O\n0.032885 0.201472 0.751070 O\n0.417518 0.201472 0.032884 O\n0.647137 0.941410 0.647136 O\n0.824437 0.525041 0.157984 O\n0.542620 0.525041 0.824436 O\n0.751070 0.201472 0.417518 O\n0.928366 0.785101 0.928365 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.419627394370355,
"density_atomic": 0.08962283158332363,
"volume": 156.21019502138805,
"volume_molar": 6.7194270183275,
"formula_full": "Li2 Co2 P2 O8",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4279429142857145,
"spacegroup": 148
},
{
"id": "jvasp-117835",
"created_at": "2022-09-04T14:38:52.278812Z",
"updated_at": "2022-09-04T14:38:52.278839Z",
"structure_string": "P1 S1 Br1\n1.0\n2.800597 -0.000000 0.000000\n-0.000000 2.800597 -0.000000\n0.000000 -0.000000 8.850102\nP S Br\n1 1 1\ndirect\n0.000000 0.000000 0.374573 P\n0.000000 0.000000 0.609175 S\n0.000000 0.000000 0.002121 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"P",
"S",
"Br"
],
"chemical_system": "Br-P-S",
"density": 3.419493262062225,
"density_atomic": 0.04321870405538968,
"volume": 69.4143904952624,
"volume_molar": 13.934107677735874,
"formula_full": "P1 S1 Br1",
"formula_reduced": "PSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.442719868333333,
"spacegroup": 99
},
{
"id": "jvasp-112396",
"created_at": "2022-09-04T14:38:40.855908Z",
"updated_at": "2022-09-04T14:38:40.855934Z",
"structure_string": "Mg2 Mn3 Mo1 S8\n1.0\n6.309117 0.001793 3.736752\n2.127145 5.939524 3.737709\n-0.001357 -0.001606 7.332504\nMg Mn Mo S\n2 3 1 8\ndirect\n0.870143 0.870156 0.870113 Mg\n0.129856 0.129841 0.129889 Mg\n0.499999 0.499998 0.999999 Mn\n0.000001 0.500002 0.499999 Mn\n0.499999 -0.000001 0.500002 Mn\n0.500003 0.499997 0.500000 Mo\n0.735036 0.735034 0.734955 S\n0.260875 0.260846 0.720767 S\n0.260833 0.720740 0.260790 S\n0.720745 0.260826 0.260817 S\n0.739171 0.279258 0.739208 S\n0.279254 0.739170 0.739182 S\n0.264963 0.264963 0.265047 S\n0.739124 0.739152 0.279235 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Mo",
"S"
],
"chemical_system": "Mg-Mn-Mo-S",
"density": 3.419487471391793,
"density_atomic": 0.05094627514456102,
"volume": 274.7992853309635,
"volume_molar": 11.820571264360467,
"formula_full": "Mg2 Mn3 Mo1 S8",
"formula_reduced": "Mg2Mn3MoS8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.779776123152709,
"spacegroup": 166
},
{
"id": "jvasp-104591",
"created_at": "2022-09-04T14:36:54.989496Z",
"updated_at": "2022-09-04T14:36:54.989515Z",
"structure_string": "Li1 Mg2 In1\n1.0\n4.235814 0.000000 2.445549\n1.411938 3.993564 2.445549\n-0.000000 0.000000 4.891097\nLi Mg In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Mg\n0.750000 0.749999 0.750001 Mg\n0.500000 0.499999 0.500001 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"In"
],
"chemical_system": "In-Li-Mg",
"density": 3.4192894458204606,
"density_atomic": 0.04834551438120589,
"volume": 82.73776897810777,
"volume_molar": 12.456462273863158,
"formula_full": "Li1 Mg2 In1",
"formula_reduced": "LiMg2In",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-9075",
"created_at": "2022-09-04T14:37:27.746306Z",
"updated_at": "2022-09-04T14:37:27.746336Z",
"structure_string": "Sr8 Si4\n1.0\n5.129226 0.000000 0.000000\n0.000000 8.051020 0.000000\n0.000000 0.000000 9.564604\nSr Si\n8 4\ndirect\n0.750001 0.980907 0.824131 Sr\n0.250000 0.019093 0.175869 Sr\n0.750001 0.480907 0.675869 Sr\n0.250000 0.519093 0.324131 Sr\n0.250000 0.652236 0.922065 Sr\n0.750001 0.347764 0.077935 Sr\n0.250000 0.152236 0.577935 Sr\n0.750001 0.847764 0.422065 Sr\n0.250000 0.252087 0.897583 Si\n0.750001 0.747913 0.102417 Si\n0.250000 0.752087 0.602417 Si\n0.750001 0.247913 0.397583 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"Si"
],
"chemical_system": "Si-Sr",
"density": 3.419252738465286,
"density_atomic": 0.030381660872103065,
"volume": 394.975115103684,
"volume_molar": 19.821631165429892,
"formula_full": "Sr8 Si4",
"formula_reduced": "Sr2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.440257073333333,
"spacegroup": 62
},
{
"id": "jvasp-71664",
"created_at": "2022-09-04T14:36:16.088174Z",
"updated_at": "2022-09-04T14:36:16.088210Z",
"structure_string": "Na1 Zr1 Be1\n1.0\n1.473578 -2.552312 -0.000000\n1.473578 2.552312 0.000000\n-0.000000 0.000000 7.956468\nNa Zr Be\n1 1 1\ndirect\n0.666668 0.333334 0.308195 Na\n0.333334 0.666668 0.707500 Zr\n0.000000 0.000000 0.984306 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Zr",
"Be"
],
"chemical_system": "Be-Na-Zr",
"density": 3.4189603909002226,
"density_atomic": 0.05012611512455685,
"volume": 59.84904261073079,
"volume_molar": 12.013978631768623,
"formula_full": "Na1 Zr1 Be1",
"formula_reduced": "NaZrBe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7871698666666664,
"spacegroup": 156
},
{
"id": "jvasp-89025",
"created_at": "2022-09-04T14:35:41.382962Z",
"updated_at": "2022-09-04T14:35:41.382978Z",
"structure_string": "Na8 Si8 Se20\n1.0\n9.407271 0.017164 -0.000000\n-0.142015 9.406214 -0.000000\n-0.000000 -0.000000 10.910855\nNa Si Se\n8 8 20\ndirect\n0.073313 0.417632 0.750000 Na\n0.926687 0.582368 0.250000 Na\n0.417632 0.073313 0.750000 Na\n0.582369 0.926686 0.250000 Na\n0.149015 0.850984 0.500000 Na\n0.850985 0.149015 0.000000 Na\n0.850985 0.149015 0.500000 Na\n0.149015 0.850984 0.000000 Na\n0.254294 0.254294 0.080618 Si\n0.745706 0.745705 0.580618 Si\n0.254294 0.254294 0.419382 Si\n0.745706 0.745705 0.919381 Si\n0.410366 0.682677 0.750000 Si\n0.317323 0.589634 0.250000 Si\n0.682678 0.410365 0.750000 Si\n0.589634 0.317322 0.250000 Si\n0.208594 0.496628 0.075354 Se\n0.496628 0.208594 0.075354 Se\n0.503372 0.791405 0.575354 Se\n0.208594 0.496628 0.424646 Se\n0.791406 0.503371 0.924645 Se\n0.503372 0.791405 0.924645 Se\n0.496628 0.208594 0.424646 Se\n0.791406 0.503371 0.575354 Se\n0.150254 0.150254 0.250000 Se\n0.178539 0.725607 0.750000 Se\n0.155665 0.155665 0.914719 Se\n0.844335 0.844334 0.414719 Se\n0.155665 0.155665 0.585280 Se\n0.844335 0.844334 0.085280 Se\n0.725607 0.178538 0.750000 Se\n0.274393 0.821461 0.250000 Se\n0.440960 0.440960 0.750000 Se\n0.821461 0.274392 0.250000 Se\n0.849746 0.849745 0.750000 Se\n0.559040 0.559039 0.250000 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Si",
"Se"
],
"chemical_system": "Na-Se-Si",
"density": 3.4187944993454553,
"density_atomic": 0.037286639419309334,
"volume": 965.4932855482001,
"volume_molar": 16.150934634461485,
"formula_full": "Na8 Si8 Se20",
"formula_reduced": "Na2Si2Se5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.4708146703703702,
"spacegroup": 63
}
]
}