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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4571",
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"results": [
{
"id": "jvasp-107308",
"created_at": "2022-09-04T14:37:00.814445Z",
"updated_at": "2022-09-04T14:37:00.814471Z",
"structure_string": "Na5 Br4 Cl1\n1.0\n4.120071 -0.002870 -14.407379\n-0.083715 4.119222 -14.407379\n0.002815 0.002870 14.984911\nNa Br Cl\n5 4 1\ndirect\n0.800144 0.800143 0.000000 Na\n0.199856 0.199856 0.000000 Na\n0.596188 0.596187 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.403813 0.403812 0.000000 Na\n0.901450 0.901449 0.000000 Br\n0.301165 0.301165 0.000000 Br\n0.698836 0.698835 0.000000 Br\n0.098551 0.098551 0.000000 Br\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 10,
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"volume": 254.65362533645623,
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"formula_full": "Na5 Br4 Cl1",
"formula_reduced": "Na5Br4Cl",
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"spacegroup": 139
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{
"id": "jvasp-18676",
"created_at": "2022-09-04T14:36:55.033641Z",
"updated_at": "2022-09-04T14:36:55.033667Z",
"structure_string": "Dy1 Cu5\n1.0\n4.313299 0.000000 2.490284\n1.437767 4.066617 2.490284\n0.000000 0.000000 4.980568\nDy Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.250000 0.249999 Cu\n0.623768 0.623768 0.623766 Cu\n0.623768 0.623768 0.128698 Cu\n0.128700 0.623768 0.623766 Cu\n0.623767 0.128700 0.623767 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cu-Dy",
"density": 9.128021912842197,
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"volume": 87.36182752052777,
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"formula_full": "Dy1 Cu5",
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},
{
"id": "jvasp-107347",
"created_at": "2022-09-04T14:36:54.694422Z",
"updated_at": "2022-09-04T14:36:54.694433Z",
"structure_string": "Cu4 Br3 Cl1\n1.0\n4.854682 -0.005407 -4.323089\n-0.980167 4.754707 -4.323089\n0.004411 0.005407 6.500539\nCu Br Cl\n4 3 1\ndirect\n-0.000000 0.500001 0.500000 Cu\n0.261073 0.261073 -0.000000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.738926 0.738927 -0.000001 Cu\n0.749999 0.250000 0.500000 Br\n0.000000 0.000000 0.000000 Br\n0.250000 0.750001 0.500000 Br\n0.500000 0.500000 -0.000000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Cl"
],
"chemical_system": "Br-Cl-Cu",
"density": 5.85059277087121,
"density_atomic": 0.05324743140393301,
"volume": 150.24198893862695,
"volume_molar": 11.30973006813468,
"formula_full": "Cu4 Br3 Cl1",
"formula_reduced": "Cu4Br3Cl",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-104874",
"created_at": "2022-09-04T14:36:55.034316Z",
"updated_at": "2022-09-04T14:36:55.034342Z",
"structure_string": "Sr2 Tl1 Pb1\n1.0\n5.000422 -0.000000 2.886995\n1.666807 4.714443 2.886995\n-0.000000 -0.000000 5.773990\nSr Tl Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.750001 Sr\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500001 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tl",
"Pb"
],
"chemical_system": "Pb-Sr-Tl",
"density": 7.15885181608908,
"density_atomic": 0.029386435972374322,
"volume": 136.11722101177327,
"volume_molar": 20.49292661982321,
"formula_full": "Sr2 Tl1 Pb1",
"formula_reduced": "Sr2TlPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107632",
"created_at": "2022-09-04T14:36:54.418066Z",
"updated_at": "2022-09-04T14:36:54.418087Z",
"structure_string": "Rb3 Sc1 Cl6\n1.0\n6.729412 -0.000000 3.885228\n2.243137 6.344550 3.885228\n-0.000000 -0.000000 7.770455\nRb Sc Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Sc\n0.774508 0.225492 0.225492 Cl\n0.225492 0.225492 0.774509 Cl\n0.225492 0.774508 0.774509 Cl\n0.225492 0.774508 0.225492 Cl\n0.774508 0.225492 0.774509 Cl\n0.774508 0.774508 0.225493 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Sc",
"Cl"
],
"chemical_system": "Cl-Rb-Sc",
"density": 2.5730791315684627,
"density_atomic": 0.030142245846240995,
"volume": 331.7602825951036,
"volume_molar": 19.97907120365092,
"formula_full": "Rb3 Sc1 Cl6",
"formula_reduced": "Rb3ScCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-13003",
"created_at": "2022-09-04T14:36:59.174874Z",
"updated_at": "2022-09-04T14:36:59.174896Z",
"structure_string": "In4 Te4 Br4\n1.0\n0.000000 7.359307 0.166094\n7.652814 0.000000 0.000000\n0.000000 -3.851957 -7.598106\nIn Te Br\n4 4 4\ndirect\n0.977251 0.700797 0.117005 In\n0.022749 0.200797 0.382996 In\n0.022749 0.299203 0.882996 In\n0.977251 0.799203 0.617005 In\n0.225183 0.869622 0.444199 Te\n0.774818 0.369623 0.055802 Te\n0.774817 0.130377 0.555802 Te\n0.225183 0.630377 0.944199 Te\n0.678562 0.903687 0.912473 Br\n0.321439 0.403687 0.587529 Br\n0.321439 0.096313 0.087528 Br\n0.678562 0.596313 0.412472 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"In",
"Te",
"Br"
],
"chemical_system": "Br-In-Te",
"density": 5.060965238156297,
"density_atomic": 0.028367140675637996,
"volume": 423.0246586081102,
"volume_molar": 21.229283659074877,
"formula_full": "In4 Te4 Br4",
"formula_reduced": "InTeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-107458",
"created_at": "2022-09-04T14:36:54.295868Z",
"updated_at": "2022-09-04T14:36:54.295889Z",
"structure_string": "Li2 Cl2\n1.0\n3.883451 0.000000 0.000000\n-1.941726 3.363167 0.000000\n-0.000000 -0.000000 6.219141\nLi Cl\n2 2\ndirect\n0.666666 0.333334 0.877958 Li\n0.333333 0.666667 0.377958 Li\n0.666666 0.333334 0.497043 Cl\n0.333333 0.666667 0.997042 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cl"
],
"chemical_system": "Cl-Li",
"density": 1.7333522264170498,
"density_atomic": 0.04924513420649234,
"volume": 81.22629909439156,
"volume_molar": 12.228905164007164,
"formula_full": "Li2 Cl2",
"formula_reduced": "LiCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-28429",
"created_at": "2022-09-04T14:36:59.209392Z",
"updated_at": "2022-09-04T14:36:59.209407Z",
"structure_string": "Tb2 Ga2 I2\n1.0\n-2.094277 -3.627394 -0.000000\n-2.094277 3.627394 0.000000\n-0.000000 0.000000 -11.453060\nTb Ga I\n2 2 2\ndirect\n0.000000 0.000000 0.824014 Tb\n0.000000 0.000000 0.175986 Tb\n0.666668 0.333334 0.968645 Ga\n0.333334 0.666668 0.031355 Ga\n0.666668 0.333334 0.350869 I\n0.333334 0.666668 0.649131 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"I"
],
"chemical_system": "Ga-I-Tb",
"density": 6.78582781516446,
"density_atomic": 0.034480286465031366,
"volume": 174.01247539184394,
"volume_molar": 17.465460346762008,
"formula_full": "Tb2 Ga2 I2",
"formula_reduced": "TbGaI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-14060",
"created_at": "2022-09-04T14:36:54.279300Z",
"updated_at": "2022-09-04T14:36:54.279317Z",
"structure_string": "Yb4 Cd2 Pd4\n1.0\n7.503841 0.000000 0.000000\n0.000000 7.503841 -0.000000\n0.000000 -0.000000 3.803043\nYb Cd Pd\n4 2 4\ndirect\n0.334710 0.834710 0.500000 Yb\n0.834710 0.665290 0.500000 Yb\n0.165290 0.334710 0.500000 Yb\n0.665290 0.165290 0.500000 Yb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.365535 0.134465 0.000000 Pd\n0.865535 0.365535 0.000000 Pd\n0.134465 0.634465 0.000000 Pd\n0.634465 0.865535 0.000000 Pd\n",
"nsites": 10,
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"elements": [
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"Cd",
"Pd"
],
"chemical_system": "Cd-Pd-Yb",
"density": 10.411596122440073,
"density_atomic": 0.04669834806322971,
"volume": 214.14033717980706,
"volume_molar": 12.895832528906597,
"formula_full": "Yb4 Cd2 Pd4",
"formula_reduced": "Yb2CdPd2",
"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-102063",
"created_at": "2022-09-04T14:37:03.494484Z",
"updated_at": "2022-09-04T14:37:03.494507Z",
"structure_string": "K2 Na1 Tl1 Cl6\n1.0\n6.431362 -0.000000 3.713149\n2.143787 6.063546 3.713149\n-0.000000 -0.000000 7.426296\nK Na Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.753103 0.246897 0.246897 Cl\n0.246897 0.246897 0.753103 Cl\n0.246897 0.753103 0.753103 Cl\n0.246897 0.753103 0.246897 Cl\n0.753103 0.246897 0.753103 Cl\n0.753103 0.753103 0.246897 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-K-Na-Tl",
"density": 2.9717897923302865,
"density_atomic": 0.03453012198725565,
"volume": 289.6022204523573,
"volume_molar": 17.440253359726466,
"formula_full": "K2 Na1 Tl1 Cl6",
"formula_reduced": "K2NaTlCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-1270",
"created_at": "2022-09-04T14:37:01.053932Z",
"updated_at": "2022-09-04T14:37:01.053954Z",
"structure_string": "K2 S1\n1.0\n4.515935 0.000000 2.607277\n1.505311 4.257665 2.607277\n-0.000000 -0.000000 5.214553\nK S\n2 1\ndirect\n0.750001 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 S\n",
"nsites": 3,
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"volume": 100.2619750928455,
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"spacegroup": 225
},
{
"id": "jvasp-58923",
"created_at": "2022-09-04T14:36:54.263912Z",
"updated_at": "2022-09-04T14:36:54.263936Z",
"structure_string": "K8 Hg4 S8\n1.0\n7.003709 -0.000000 0.000000\n-0.000000 8.057092 0.000000\n0.000000 0.000000 10.765852\nK Hg S\n8 4 8\ndirect\n0.750000 0.954412 0.886795 K\n0.250000 0.545588 0.886795 K\n0.500000 0.250000 0.394024 K\n0.000000 0.250000 0.394024 K\n0.500000 0.750000 0.605976 K\n0.000000 0.750000 0.605976 K\n0.250000 0.045588 0.113205 K\n0.750000 0.454412 0.113205 K\n0.250000 0.162903 0.714866 Hg\n0.250000 0.662903 0.285134 Hg\n0.750000 0.337097 0.714866 Hg\n0.750000 0.837097 0.285134 Hg\n0.750000 0.078955 0.162496 S\n0.250000 0.416266 0.605483 S\n0.750000 0.583733 0.394517 S\n0.250000 0.421045 0.162496 S\n0.250000 0.916266 0.394517 S\n0.750000 0.578955 0.837504 S\n0.250000 0.921045 0.837504 S\n0.750000 0.083734 0.605483 S\n",
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]
}