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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=301",
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"results": [
{
"id": "jvasp-36973",
"created_at": "2022-09-04T14:38:03.207685Z",
"updated_at": "2022-09-04T14:38:03.207737Z",
"structure_string": "K2 Ge2 Br6\n1.0\n0.000000 5.889662 0.185330\n7.498218 0.000000 0.000000\n0.000000 -3.184281 -7.513878\nK Ge Br\n2 2 6\ndirect\n0.139124 0.750000 0.816366 K\n0.860876 0.250000 0.183635 K\n0.443393 0.750000 0.408347 Ge\n0.556607 0.250000 0.591653 Ge\n0.360410 0.007247 0.184471 Br\n0.639590 0.507247 0.815529 Br\n0.000097 0.250000 0.617993 Br\n-0.000097 0.750000 0.382007 Br\n0.639590 0.992754 0.815529 Br\n0.360410 0.492753 0.184471 Br\n",
"nsites": 10,
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"elements": [
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"Ge",
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],
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"density": 3.5650107540336853,
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"volume": 327.40263263327904,
"volume_molar": 19.71664738912176,
"formula_full": "K2 Ge2 Br6",
"formula_reduced": "KGeBr3",
"formula_anonymous": "ABC3",
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"spacegroup": 11
},
{
"id": "jvasp-59031",
"created_at": "2022-09-04T14:37:55.212770Z",
"updated_at": "2022-09-04T14:37:55.212784Z",
"structure_string": "K8 Mn2 Br12\n1.0\n8.883085 0.029062 0.029152\n0.029150 8.883085 0.029152\n0.029062 0.029062 8.883086\nK Mn Br\n8 2 12\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.629463 0.870538 0.250000 K\n0.250000 0.629463 0.870537 K\n0.870538 0.250000 0.629463 K\n0.370537 0.129463 0.750000 K\n0.750000 0.370537 0.129463 K\n0.129463 0.750000 0.370537 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.442787 0.792637 0.568351 Br\n0.057213 0.931649 0.707363 Br\n0.931649 0.707363 0.057213 Br\n0.707363 0.057213 0.931649 Br\n0.207363 0.431649 0.557214 Br\n0.292637 0.942787 0.068351 Br\n0.557214 0.207363 0.431649 Br\n0.942787 0.068351 0.292637 Br\n0.068351 0.292637 0.942787 Br\n0.568351 0.442786 0.792637 Br\n0.431649 0.557214 0.207363 Br\n0.792637 0.568351 0.442786 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Mn",
"Br"
],
"chemical_system": "Br-K-Mn",
"density": 3.272847277005588,
"density_atomic": 0.03138666242688279,
"volume": 700.9346741231371,
"volume_molar": 19.18694214151937,
"formula_full": "K8 Mn2 Br12",
"formula_reduced": "K4MnBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-4307",
"created_at": "2022-09-04T14:38:00.549522Z",
"updated_at": "2022-09-04T14:38:00.549538Z",
"structure_string": "Yb2 Ga2\n1.0\n3.569707 0.000000 0.000000\n0.000000 5.049126 0.000000\n0.000000 0.000000 5.049126\nYb Ga\n2 2\ndirect\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ga"
],
"chemical_system": "Ga-Yb",
"density": 8.859242729959142,
"density_atomic": 0.04395365584150616,
"volume": 91.00494426274172,
"volume_molar": 13.701114605154626,
"formula_full": "Yb2 Ga2",
"formula_reduced": "YbGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-39858",
"created_at": "2022-09-04T14:38:00.633787Z",
"updated_at": "2022-09-04T14:38:00.633821Z",
"structure_string": "Yb2 F4\n1.0\n5.070260 0.000000 0.000000\n0.000000 5.070260 0.000000\n0.000000 0.000000 3.483786\nYb F\n2 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500001 Yb\n0.307046 0.307046 0.000000 F\n0.692954 0.692954 0.000000 F\n0.192954 0.807046 0.500001 F\n0.807046 0.192954 0.500001 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"F"
],
"chemical_system": "F-Yb",
"density": 7.825739174613684,
"density_atomic": 0.06699452623567016,
"volume": 89.55955564031433,
"volume_molar": 8.989004174483746,
"formula_full": "Yb2 F4",
"formula_reduced": "YbF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 136
},
{
"id": "jvasp-38092",
"created_at": "2022-09-04T14:37:55.429708Z",
"updated_at": "2022-09-04T14:37:55.429727Z",
"structure_string": "Tl2 In1 Ga1 F6\n1.0\n-0.000000 4.483074 4.483074\n4.483074 0.000000 4.483074\n4.483074 4.483074 -0.000000\nTl In Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.749999 0.749999 0.749999 Tl\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ga\n0.285251 0.714748 0.714748 F\n0.285251 0.714748 0.285251 F\n0.714748 0.285251 0.714748 F\n0.714748 0.714748 0.285251 F\n0.285251 0.285251 0.714748 F\n0.714748 0.285251 0.285251 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tl",
"In",
"Ga",
"F"
],
"chemical_system": "F-Ga-In-Tl",
"density": 6.517691807566784,
"density_atomic": 0.055493521038592675,
"volume": 180.20121651761028,
"volume_molar": 10.851970909922862,
"formula_full": "Tl2 In1 Ga1 F6",
"formula_reduced": "Tl2InGaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38116",
"created_at": "2022-09-04T14:38:00.616227Z",
"updated_at": "2022-09-04T14:38:00.616238Z",
"structure_string": "Rb2 Li1 Tl1 Cl6\n1.0\n0.000000 5.130811 5.130811\n5.130811 0.000000 5.130811\n5.130811 5.130811 0.000000\nRb Li Tl Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Tl\n0.245946 0.754054 0.754054 Cl\n0.245946 0.754054 0.245946 Cl\n0.754054 0.245946 0.754054 Cl\n0.754054 0.754054 0.245946 Cl\n0.245946 0.245946 0.754054 Cl\n0.754054 0.245946 0.245946 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Tl",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Tl",
"density": 3.6573109378309883,
"density_atomic": 0.03701791491468361,
"volume": 270.13947228111914,
"volume_molar": 16.26817926909018,
"formula_full": "Rb2 Li1 Tl1 Cl6",
"formula_reduced": "Rb2LiTlCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39966",
"created_at": "2022-09-04T14:37:55.457452Z",
"updated_at": "2022-09-04T14:37:55.457473Z",
"structure_string": "Nd1 Mg1 Cd2\n1.0\n-0.000000 3.652334 3.652334\n3.652334 0.000000 3.652334\n3.652334 3.652334 -0.000000\nNd Mg Cd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Nd",
"density": 6.703595101449917,
"density_atomic": 0.04105050811114133,
"volume": 97.4409376169056,
"volume_molar": 14.670076052884612,
"formula_full": "Nd1 Mg1 Cd2",
"formula_reduced": "NdMgCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-20805",
"created_at": "2022-09-04T14:37:55.463123Z",
"updated_at": "2022-09-04T14:37:55.463147Z",
"structure_string": "Ca10 Zn6\n1.0\n7.076486 -0.000000 -3.249124\n-1.491815 6.917453 -3.249124\n0.028042 0.034735 9.391816\nCa Zn\n10 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500000 0.000001 Ca\n0.318146 0.818145 0.295338 Ca\n0.477193 0.318145 0.295338 Ca\n0.818146 0.977192 0.295339 Ca\n0.522808 0.681854 0.704663 Ca\n0.181855 0.022807 0.704662 Ca\n0.022807 0.522807 0.704663 Ca\n0.681855 0.181854 0.704663 Ca\n0.977193 0.477192 0.295339 Ca\n0.250000 0.250000 0.500000 Zn\n0.750001 0.749999 0.500001 Zn\n0.381455 0.881454 0.000001 Zn\n0.118546 0.381454 0.000000 Zn\n0.881455 0.618546 0.000001 Zn\n0.618546 0.118546 0.000000 Zn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.8551618454444343,
"density_atomic": 0.034681693486239236,
"volume": 461.3384870132818,
"volume_molar": 17.364033167496345,
"formula_full": "Ca10 Zn6",
"formula_reduced": "Ca5Zn3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-37259",
"created_at": "2022-09-04T14:38:01.389016Z",
"updated_at": "2022-09-04T14:38:01.389049Z",
"structure_string": "Sm1 Lu1 Zn2\n1.0\n0.000000 3.549020 3.549020\n3.549020 -0.000000 3.549020\n3.549020 3.549020 -0.000000\nSm Lu Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
"Sm",
"Lu",
"Zn"
],
"chemical_system": "Lu-Sm-Zn",
"density": 8.47220937974288,
"density_atomic": 0.044740893751448005,
"volume": 89.40366775463762,
"volume_molar": 13.460036791967525,
"formula_full": "Sm1 Lu1 Zn2",
"formula_reduced": "SmLuZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-16386",
"created_at": "2022-09-04T14:38:01.411319Z",
"updated_at": "2022-09-04T14:38:01.411345Z",
"structure_string": "Na1 Yb1 Se2\n1.0\n3.912650 -0.076061 5.973685\n1.725497 3.512445 5.973685\n-0.124795 -0.076061 7.139899\nYb Na Se\n1 1 2\ndirect\n0.500001 0.500001 0.499999 Yb\n0.000000 0.000000 0.000000 Na\n0.245489 0.245489 0.245488 Se\n0.754513 0.754513 0.754511 Se\n",
"nsites": 4,
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"elements": [
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"Na",
"Se"
],
"chemical_system": "Na-Se-Yb",
"density": 5.721315991665735,
"density_atomic": 0.03893724278023274,
"volume": 102.72941056911915,
"volume_molar": 15.466274265976681,
"formula_full": "Na1 Yb1 Se2",
"formula_reduced": "NaYbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-38355",
"created_at": "2022-09-04T14:37:55.099587Z",
"updated_at": "2022-09-04T14:37:55.099608Z",
"structure_string": "Rb1 Ba3\n1.0\n-3.142458 3.142458 6.560676\n3.142458 -3.142458 6.560676\n3.142458 3.142458 -6.560676\nRb Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Rb",
"density": 3.187498134644185,
"density_atomic": 0.01543520655448222,
"volume": 259.1478115878172,
"volume_molar": 39.01561497569485,
"formula_full": "Rb1 Ba3",
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"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-5815",
"created_at": "2022-09-04T14:37:55.089155Z",
"updated_at": "2022-09-04T14:37:55.089186Z",
"structure_string": "Ga2 Pd1 I8\n1.0\n7.559239 -0.027943 0.558584\n0.291948 7.162682 3.631769\n-0.059509 0.109142 8.035144\nGa Pd I\n2 1 8\ndirect\n0.658474 0.211187 0.211187 Ga\n0.341526 0.788813 0.788813 Ga\n0.000000 0.000000 0.000000 Pd\n0.144854 0.656334 0.108566 I\n0.855146 0.891434 0.343665 I\n0.344596 0.158005 0.158004 I\n0.655404 0.841995 0.841995 I\n0.144854 0.108565 0.656334 I\n0.855146 0.343666 0.891434 I\n0.682150 0.392858 0.392857 I\n0.317851 0.607142 0.607142 I\n",
"nsites": 11,
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"elements": [
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],
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"density": 4.843108260553233,
"density_atomic": 0.02544003081730246,
"volume": 432.38941332251056,
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"formula_full": "Ga2 Pd1 I8",
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"formula_anonymous": "AB2C8",
"energy_above_hull": 0.0,
"spacegroup": 12
}
]
}