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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=97",
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"results": [
{
"id": "jvasp-85326",
"created_at": "2022-09-04T14:35:50.766160Z",
"updated_at": "2022-09-04T14:35:50.766187Z",
"structure_string": "Eu1 Cd1\n1.0\n3.765430 -0.000000 0.000000\n-0.000000 3.765430 -0.000000\n0.000000 -0.000000 3.765430\nEu Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Cd\n",
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"volume": 53.388010253775,
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"formula_full": "Eu1 Cd1",
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"spacegroup": 221
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{
"id": "jvasp-91630",
"created_at": "2022-09-04T14:35:59.663499Z",
"updated_at": "2022-09-04T14:35:59.663525Z",
"structure_string": "Sr2 Zn2 Sb2 F2\n1.0\n4.325945 -0.000000 -0.000000\n-0.000000 4.325945 -0.000000\n-0.000000 -0.000000 9.432895\nSr Zn Sb F\n2 2 2 2\ndirect\n0.750001 0.750001 0.861035 Sr\n0.250000 0.250000 0.138965 Sr\n0.250000 0.750001 0.500000 Zn\n0.750001 0.250000 0.500000 Zn\n0.750001 0.750001 0.318697 Sb\n0.250000 0.250000 0.681302 Sb\n0.250000 0.750001 0.000000 F\n0.750001 0.250000 0.000000 F\n",
"nsites": 8,
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"elements": [
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"Zn",
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"F"
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"density": 5.527201230392381,
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"volume": 176.52531180013983,
"volume_molar": 13.288253442041638,
"formula_full": "Sr2 Zn2 Sb2 F2",
"formula_reduced": "SrZnSbF",
"formula_anonymous": "ABCD",
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"spacegroup": 129
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{
"id": "jvasp-86695",
"created_at": "2022-09-04T14:35:41.048650Z",
"updated_at": "2022-09-04T14:35:41.048673Z",
"structure_string": "Rb2 Hg2 Pd1 Cl8\n1.0\n6.368097 0.039047 1.932409\n2.754388 5.741736 1.932409\n-0.037039 -0.023470 9.834079\nRb Hg Pd Cl\n2 2 1 8\ndirect\n0.397295 0.397295 0.829109 Rb\n0.602705 0.602706 0.170891 Rb\n0.866074 0.866075 0.400908 Hg\n0.133926 0.133926 0.599092 Hg\n0.000000 0.000000 0.000000 Pd\n0.085111 0.085111 0.305976 Cl\n0.106719 0.623961 0.134386 Cl\n0.647880 0.647881 0.503489 Cl\n0.376039 0.893282 0.865614 Cl\n0.352119 0.352120 0.496511 Cl\n0.623961 0.106720 0.134386 Cl\n0.893281 0.376040 0.865614 Cl\n0.914889 0.914890 0.694024 Cl\n",
"nsites": 13,
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"elements": [
"Rb",
"Hg",
"Pd",
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],
"chemical_system": "Cl-Hg-Pd-Rb",
"density": 4.449349676303782,
"density_atomic": 0.03620292627704166,
"volume": 359.08699480583266,
"volume_molar": 16.634403290816255,
"formula_full": "Rb2 Hg2 Pd1 Cl8",
"formula_reduced": "Rb2Hg2PdCl8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-69343",
"created_at": "2022-09-04T14:36:15.897195Z",
"updated_at": "2022-09-04T14:36:15.897217Z",
"structure_string": "Ba2 Ga1 Bi1\n1.0\n0.000000 4.213016 4.213016\n4.213016 -0.000000 4.213016\n4.213016 4.213016 -0.000000\nBa Ga Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
"Bi"
],
"chemical_system": "Ba-Bi-Ga",
"density": 6.14391924133495,
"density_atomic": 0.026745496854060493,
"volume": 149.55788713989514,
"volume_molar": 22.51646620311606,
"formula_full": "Ba2 Ga1 Bi1",
"formula_reduced": "Ba2GaBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90206",
"created_at": "2022-09-04T14:36:20.396882Z",
"updated_at": "2022-09-04T14:36:20.396895Z",
"structure_string": "Dy3 Cd3 Cu3\n1.0\n0.000000 0.000000 -3.880255\n-3.723903 -6.449990 0.000000\n-3.723800 6.449929 0.000000\nDy Cd Cu\n3 3 3\ndirect\n0.499999 0.589929 -0.000000 Dy\n0.499999 0.410048 0.410059 Dy\n0.499999 0.999989 0.589940 Dy\n0.000000 0.253785 -0.000000 Cd\n0.000000 0.746193 0.746205 Cd\n0.000000 0.999988 0.253794 Cd\n0.000000 0.333323 0.666667 Cu\n0.000000 0.666656 0.333333 Cu\n0.499999 0.999988 -0.000000 Cu\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Dy",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Dy",
"density": 9.045534793945498,
"density_atomic": 0.04828396262814088,
"volume": 186.39729446635386,
"volume_molar": 12.472341606217245,
"formula_full": "Dy3 Cd3 Cu3",
"formula_reduced": "DyCdCu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-107402",
"created_at": "2022-09-04T14:36:50.491377Z",
"updated_at": "2022-09-04T14:36:50.491396Z",
"structure_string": "K2 Bi1 Au1 Br6\n1.0\n6.888433 -0.000000 3.977038\n2.296144 6.494477 3.977038\n-0.000000 -0.000000 7.954077\nK Bi Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Bi\n0.499999 0.500000 0.500001 Au\n0.745808 0.254191 0.254192 Br\n0.254191 0.254191 0.745809 Br\n0.254190 0.745809 0.745810 Br\n0.254190 0.745809 0.254191 Br\n0.745808 0.254191 0.745810 Br\n0.745808 0.745809 0.254192 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Bi",
"Au",
"Br"
],
"chemical_system": "Au-Bi-Br-K",
"density": 4.4965234150696896,
"density_atomic": 0.02810254082507772,
"volume": 355.83971080210483,
"volume_molar": 21.429168264479678,
"formula_full": "K2 Bi1 Au1 Br6",
"formula_reduced": "K2BiAuBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-65530",
"created_at": "2022-09-04T14:35:42.318327Z",
"updated_at": "2022-09-04T14:35:42.318358Z",
"structure_string": "K1 Ba1 Cd2\n1.0\n4.202187 -0.000000 0.000000\n0.000000 4.202187 -0.000000\n-0.000000 -0.000000 8.555293\nK Ba Cd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.736642 Cd\n0.000000 0.000000 0.263358 Cd\n",
"nsites": 4,
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"elements": [
"K",
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd-K",
"density": 4.410375662987993,
"density_atomic": 0.026477340090433555,
"volume": 151.07257701634566,
"volume_molar": 22.744508094209362,
"formula_full": "K1 Ba1 Cd2",
"formula_reduced": "KBaCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-92187",
"created_at": "2022-09-04T14:35:44.914189Z",
"updated_at": "2022-09-04T14:35:44.914225Z",
"structure_string": "Ca1 Ce1 Mg6\n1.0\n6.808832 -0.001815 0.000000\n-3.405988 5.895715 0.000000\n0.000000 0.000000 5.236010\nCa Ce Mg\n1 1 6\ndirect\n0.083123 0.416876 0.250000 Ca\n0.416859 0.083142 0.750000 Ce\n0.078951 0.914738 0.250000 Mg\n0.585261 0.421048 0.250000 Mg\n0.585674 0.914326 0.250000 Mg\n0.432685 0.591087 0.750000 Mg\n0.908912 0.067315 0.750000 Mg\n0.908530 0.591469 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Ce",
"Mg"
],
"chemical_system": "Ca-Ce-Mg",
"density": 2.576060073449508,
"density_atomic": 0.038066881883272334,
"volume": 210.15643005726264,
"volume_molar": 15.819895042799132,
"formula_full": "Ca1 Ce1 Mg6",
"formula_reduced": "CaCeMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-65213",
"created_at": "2022-09-04T14:35:48.270517Z",
"updated_at": "2022-09-04T14:35:48.270548Z",
"structure_string": "Mg1 Be1 Cu4\n1.0\n-0.000000 3.417629 3.417629\n3.417629 0.000000 3.417629\n3.417629 3.417629 -0.000000\nMg Be Cu\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Be\n0.123864 0.625379 0.625379 Cu\n0.625379 0.625379 0.625379 Cu\n0.625379 0.123864 0.625379 Cu\n0.625379 0.625379 0.123864 Cu\n",
"nsites": 6,
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"elements": [
"Mg",
"Be",
"Cu"
],
"chemical_system": "Be-Cu-Mg",
"density": 5.979763221773482,
"density_atomic": 0.07515303191783532,
"volume": 79.83709834301548,
"volume_molar": 8.013170734860035,
"formula_full": "Mg1 Be1 Cu4",
"formula_reduced": "MgBeCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-88222",
"created_at": "2022-09-04T14:36:16.184413Z",
"updated_at": "2022-09-04T14:36:16.184437Z",
"structure_string": "Rb8 Zn4 Cl16\n1.0\n7.138152 0.000000 0.000000\n0.000000 9.295348 0.000000\n0.000000 0.000000 12.560125\nRb Zn Cl\n8 4 16\ndirect\n0.750000 0.371958 0.588301 Rb\n0.750000 0.521405 0.173124 Rb\n0.750000 0.021405 0.326876 Rb\n0.750000 0.871958 0.911700 Rb\n0.250000 0.628042 0.411700 Rb\n0.250000 0.478595 0.826876 Rb\n0.250000 0.978595 0.673124 Rb\n0.250000 0.128042 0.088301 Rb\n0.750000 0.773246 0.576856 Zn\n0.250000 0.726754 0.076856 Zn\n0.250000 0.226754 0.423145 Zn\n0.750000 0.273246 0.923145 Zn\n0.007226 0.673883 0.654046 Cl\n0.750000 0.686338 0.406193 Cl\n0.992773 0.826117 0.154045 Cl\n0.492773 0.173883 0.845955 Cl\n0.507226 0.326117 0.345955 Cl\n0.750000 0.016685 0.592919 Cl\n0.492773 0.673883 0.654046 Cl\n0.507226 0.826117 0.154045 Cl\n0.007226 0.173883 0.845955 Cl\n0.750000 0.186338 0.093807 Cl\n0.250000 0.813663 0.906193 Cl\n0.250000 0.313662 0.593808 Cl\n0.750000 0.516685 0.907082 Cl\n0.250000 0.983315 0.407081 Cl\n0.250000 0.483315 0.092919 Cl\n0.992773 0.326117 0.345955 Cl\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.03359793802088038,
"volume": 833.3844768270784,
"volume_molar": 17.924137952327232,
"formula_full": "Rb8 Zn4 Cl16",
"formula_reduced": "Rb2ZnCl4",
"formula_anonymous": "AB2C4",
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"spacegroup": 62
},
{
"id": "jvasp-92195",
"created_at": "2022-09-04T14:35:50.202244Z",
"updated_at": "2022-09-04T14:35:50.202259Z",
"structure_string": "Ce1 Mg6 Zn1\n1.0\n7.186209 0.688245 0.000000\n-2.997122 5.191667 0.000000\n0.000000 0.000000 4.857953\nCe Mg Zn\n1 6 1\ndirect\n0.101777 0.800913 0.250000 Ce\n0.626138 0.307235 0.250000 Mg\n0.626105 0.818894 0.250000 Mg\n0.345985 0.171110 0.750000 Mg\n0.345961 0.674846 0.750000 Mg\n0.925547 0.212754 0.750000 Mg\n0.780824 0.640402 0.750000 Mg\n0.247668 0.373849 0.250000 Zn\n",
"nsites": 8,
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],
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"density_atomic": 0.04182717041054847,
"volume": 191.2632368261389,
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"formula_full": "Ce1 Mg6 Zn1",
"formula_reduced": "CeMg6Zn",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-41311",
"created_at": "2022-09-04T14:37:39.335520Z",
"updated_at": "2022-09-04T14:37:39.335549Z",
"structure_string": "Na1 Pr1 Tl2\n1.0\n0.000000 3.835741 3.835741\n3.835741 -0.000000 3.835741\n3.835741 3.835741 -0.000000\nNa Pr Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
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],
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"volume": 112.86981670751754,
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"formula_full": "Na1 Pr1 Tl2",
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"formula_anonymous": "ABC2",
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}
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}