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_atomic&page=683",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=681",
"results": [
{
"id": "jvasp-22524",
"created_at": "2022-09-04T14:37:09.682628Z",
"updated_at": "2022-09-04T14:37:09.682655Z",
"structure_string": "Ca2 Cl4\n1.0\n4.160852 0.000000 0.000000\n0.000000 6.384321 0.000000\n0.000000 0.000000 6.384321\nCa Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.697515 0.697515 Cl\n0.500000 0.802484 0.197516 Cl\n0.000000 0.302484 0.302484 Cl\n0.500000 0.197516 0.802484 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Cl"
],
"chemical_system": "Ca-Cl",
"density": 2.1733404748399776,
"density_atomic": 0.03537851112794972,
"volume": 169.5944744056762,
"volume_molar": 17.02202994981999,
"formula_full": "Ca2 Cl4",
"formula_reduced": "CaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0020299999999999,
"spacegroup": 136
},
{
"id": "jvasp-23863",
"created_at": "2022-09-04T14:37:34.047094Z",
"updated_at": "2022-09-04T14:37:34.047124Z",
"structure_string": "Ca2 Cl4\n1.0\n6.384320 -0.000000 0.000000\n-0.000000 6.384320 0.000000\n0.000000 0.000000 4.160853\nCa Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.697516 0.697516 0.000000 Cl\n0.197516 0.802484 0.500000 Cl\n0.302484 0.302484 0.000000 Cl\n0.802484 0.197516 0.500000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Cl"
],
"chemical_system": "Ca-Cl",
"density": 2.173340633346305,
"density_atomic": 0.03537851370817952,
"volume": 169.59446203679263,
"volume_molar": 17.02202870836736,
"formula_full": "Ca2 Cl4",
"formula_reduced": "CaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0020299999999999,
"spacegroup": 136
},
{
"id": "jvasp-79634",
"created_at": "2022-09-04T14:37:15.396507Z",
"updated_at": "2022-09-04T14:37:15.396525Z",
"structure_string": "Tm1 Tl1 Se2\n1.0\n-2.054259 -3.558080 -0.000000\n2.054259 -3.558080 -0.000000\n0.000000 -2.372053 7.733741\nTm Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tl\n0.265928 0.265928 0.202215 Se\n0.734071 0.734071 0.797785 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Tl",
"Se"
],
"chemical_system": "Se-Tl-Tm",
"density": 7.802743017124129,
"density_atomic": 0.03538094799026301,
"volume": 113.05519572570007,
"volume_molar": 17.020857557737905,
"formula_full": "Tm1 Tl1 Se2",
"formula_reduced": "TmTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5133233958333333,
"spacegroup": 166
},
{
"id": "jvasp-1100",
"created_at": "2022-09-04T14:37:14.535414Z",
"updated_at": "2022-09-04T14:37:14.535434Z",
"structure_string": "Sb8 Se12\n1.0\n4.041452 0.000000 0.000000\n0.000000 11.596570 0.000000\n0.000000 0.000000 12.061102\nSb Se\n8 12\ndirect\n0.750000 0.039756 0.146774 Sb\n0.250000 0.960244 0.853225 Sb\n0.250000 0.539756 0.353226 Sb\n0.750000 0.460244 0.646774 Sb\n0.250000 0.329858 0.026160 Sb\n0.750000 0.670142 0.973840 Sb\n0.750000 0.829858 0.473840 Sb\n0.250000 0.170142 0.526160 Sb\n0.250000 0.947336 0.371883 Se\n0.750000 0.052664 0.628116 Se\n0.250000 0.304277 0.712554 Se\n0.750000 0.695723 0.287445 Se\n0.750000 0.804277 0.787445 Se\n0.250000 0.868416 0.053756 Se\n0.750000 0.368416 0.446244 Se\n0.250000 0.631584 0.553756 Se\n0.250000 0.552664 0.871883 Se\n0.750000 0.131584 0.946244 Se\n0.250000 0.195723 0.212554 Se\n0.750000 0.447336 0.128116 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"Se"
],
"chemical_system": "Sb-Se",
"density": 5.644924248228103,
"density_atomic": 0.03538148252926166,
"volume": 565.2674385099419,
"volume_molar": 17.020600408757574,
"formula_full": "Sb8 Se12",
"formula_reduced": "Sb2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.52104646,
"spacegroup": 62
},
{
"id": "jvasp-18993",
"created_at": "2022-09-04T14:37:06.454255Z",
"updated_at": "2022-09-04T14:37:06.454276Z",
"structure_string": "Sb8 Se12\n1.0\n4.041452 -0.000000 0.000000\n0.000000 11.596570 0.000000\n0.000000 0.000000 12.061102\nSb Se\n8 12\ndirect\n0.750000 0.039756 0.146774 Sb\n0.250000 0.960244 0.853225 Sb\n0.250000 0.539756 0.353226 Sb\n0.750000 0.460244 0.646774 Sb\n0.250000 0.329858 0.026160 Sb\n0.750000 0.670142 0.973840 Sb\n0.750000 0.829858 0.473840 Sb\n0.250000 0.170142 0.526160 Sb\n0.250000 0.947336 0.371883 Se\n0.750000 0.052664 0.628116 Se\n0.250000 0.304277 0.712554 Se\n0.750000 0.695723 0.287445 Se\n0.750000 0.804277 0.787445 Se\n0.250000 0.868416 0.053756 Se\n0.750000 0.368416 0.446244 Se\n0.250000 0.631584 0.553756 Se\n0.250000 0.552664 0.871883 Se\n0.750000 0.131584 0.946244 Se\n0.250000 0.195723 0.212554 Se\n0.750000 0.447336 0.128116 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"Se"
],
"chemical_system": "Sb-Se",
"density": 5.644924248228103,
"density_atomic": 0.03538148252926166,
"volume": 565.2674385099419,
"volume_molar": 17.020600408757574,
"formula_full": "Sb8 Se12",
"formula_reduced": "Sb2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.52104646,
"spacegroup": 62
},
{
"id": "jvasp-99847",
"created_at": "2022-09-04T14:36:11.969294Z",
"updated_at": "2022-09-04T14:36:11.969309Z",
"structure_string": "Tb3 Te1\n1.0\n4.303077 0.006188 -4.461738\n-0.696721 4.246303 -4.461738\n-0.005248 -0.006188 6.198673\nTb Te\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.749999 0.499999 Tb\n0.500001 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 8.87719559679022,
"density_atomic": 0.03538176038338874,
"volume": 113.05259988923405,
"volume_molar": 17.020466745423196,
"formula_full": "Tb3 Te1",
"formula_reduced": "Tb3Te",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1834957416666665,
"spacegroup": 139
},
{
"id": "jvasp-104583",
"created_at": "2022-09-04T14:36:51.260402Z",
"updated_at": "2022-09-04T14:36:51.260431Z",
"structure_string": "K1 Cd3\n1.0\n4.700258 -0.000000 2.713695\n1.566753 4.431445 2.713695\n-0.000000 -0.000000 5.427390\nK Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750001 0.750001 Cd\n0.500000 0.500001 0.500001 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Cd"
],
"chemical_system": "Cd-K",
"density": 5.527914882461125,
"density_atomic": 0.03538359051504249,
"volume": 113.04675251369687,
"volume_molar": 17.019586402459158,
"formula_full": "K1 Cd3",
"formula_reduced": "KCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-117772",
"created_at": "2022-09-04T14:38:53.986260Z",
"updated_at": "2022-09-04T14:38:53.986285Z",
"structure_string": "Cd1 S1 Br1\n1.0\n5.001663 -0.000000 -0.000000\n-2.500831 4.331567 0.000000\n0.000000 0.000000 3.913254\nCd S Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.666667 0.333334 0.000000 S\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"S",
"Br"
],
"chemical_system": "Br-Cd-S",
"density": 4.3947658412863575,
"density_atomic": 0.03538537103923565,
"volume": 84.78079816299143,
"volume_molar": 17.018730009422793,
"formula_full": "Cd1 S1 Br1",
"formula_reduced": "CdSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0563612849999998,
"spacegroup": 187
},
{
"id": "jvasp-35090",
"created_at": "2022-09-04T14:37:32.376032Z",
"updated_at": "2022-09-04T14:37:32.376051Z",
"structure_string": "Sr2 Zn2 Sn2\n1.0\n2.323967 -4.025229 0.000000\n2.323967 4.025229 -0.000000\n0.000000 0.000000 9.063060\nSr Zn Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.750000 Zn\n0.333334 0.666668 0.250000 Zn\n0.666668 0.333334 0.250000 Sn\n0.333334 0.666668 0.750000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"Sn"
],
"chemical_system": "Sn-Sr-Zn",
"density": 5.322377388647227,
"density_atomic": 0.03538554181403997,
"volume": 169.56077800169143,
"volume_molar": 17.01864787502162,
"formula_full": "Sr2 Zn2 Sn2",
"formula_reduced": "SrZnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-20552",
"created_at": "2022-09-04T14:38:20.489545Z",
"updated_at": "2022-09-04T14:38:20.489578Z",
"structure_string": "Pr1 Tl3\n1.0\n4.835107 0.000000 -0.000000\n-0.000000 4.835107 0.000000\n0.000000 0.000000 4.835107\nPr Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Tl"
],
"chemical_system": "Pr-Tl",
"density": 11.077335821042944,
"density_atomic": 0.03538683517360927,
"volume": 113.03638713029395,
"volume_molar": 17.018025857512065,
"formula_full": "Pr1 Tl3",
"formula_reduced": "PrTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-20286",
"created_at": "2022-09-04T14:37:42.448473Z",
"updated_at": "2022-09-04T14:37:42.448502Z",
"structure_string": "Pr1 Tl3\n1.0\n4.835107 0.000000 -0.000000\n-0.000000 4.835107 0.000000\n0.000000 0.000000 4.835107\nPr Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Tl"
],
"chemical_system": "Pr-Tl",
"density": 11.077335821042944,
"density_atomic": 0.03538683517360927,
"volume": 113.03638713029395,
"volume_molar": 17.018025857512065,
"formula_full": "Pr1 Tl3",
"formula_reduced": "PrTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-25069",
"created_at": "2022-09-04T14:37:46.954303Z",
"updated_at": "2022-09-04T14:37:46.954330Z",
"structure_string": "Sn1\n1.0\n2.417553 2.417553 0.000000\n2.417553 -0.000000 -2.417553\n0.000000 2.417553 -2.417553\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 6.9755490212541975,
"density_atomic": 0.03538685712980371,
"volume": 28.259079248882337,
"volume_molar": 17.01801529847645,
"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy_above_hull": 0.0635417,
"spacegroup": 225
}
]
}