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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4425",
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"results": [
{
"id": "jvasp-36969",
"created_at": "2022-09-04T14:38:34.199750Z",
"updated_at": "2022-09-04T14:38:34.199777Z",
"structure_string": "Tl2 Ag2 Br6\n1.0\n6.492793 -0.055255 3.575430\n2.087553 6.148295 3.575430\n-0.077811 -0.055255 7.411748\nTl Ag Br\n2 2 6\ndirect\n0.255485 0.255486 0.255485 Tl\n0.755484 0.755487 0.755485 Tl\n0.005763 0.005763 0.005763 Ag\n0.505762 0.505764 0.505763 Ag\n0.255718 0.812323 0.699211 Br\n0.812321 0.699212 0.255718 Br\n0.699210 0.255720 0.812322 Br\n0.199211 0.312323 0.755718 Br\n0.755718 0.199212 0.312322 Br\n0.312321 0.755719 0.199211 Br\n",
"nsites": 10,
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"elements": [
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"volume": 299.3251705950825,
"volume_molar": 18.025783103345997,
"formula_full": "Tl2 Ag2 Br6",
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"formula_anonymous": "ABC3",
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"spacegroup": 167
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{
"id": "jvasp-59059",
"created_at": "2022-09-04T14:38:33.869802Z",
"updated_at": "2022-09-04T14:38:33.869832Z",
"structure_string": "Sr8 I12 O2\n1.0\n5.246899 -9.087895 0.000000\n5.246899 9.087895 -0.000000\n0.000000 -0.000000 8.085699\nSr I O\n8 12 2\ndirect\n0.205750 0.411499 0.512350 Sr\n0.794251 0.205750 0.012350 Sr\n0.666667 0.333333 0.622295 Sr\n0.588501 0.794251 0.512350 Sr\n0.205750 0.794251 0.512350 Sr\n0.411499 0.205750 0.012350 Sr\n0.794251 0.588501 0.012350 Sr\n0.333333 0.666667 0.122295 Sr\n0.070348 0.535174 0.818622 I\n0.464826 0.535174 0.818622 I\n0.134393 0.268787 0.134235 I\n0.268787 0.134393 0.634235 I\n0.865607 0.134393 0.634235 I\n0.134393 0.865607 0.134235 I\n0.464826 0.929652 0.818622 I\n0.865607 0.731213 0.634235 I\n0.535174 0.464826 0.318622 I\n0.929652 0.464826 0.318622 I\n0.535174 0.070348 0.318622 I\n0.731213 0.865607 0.134235 I\n0.666667 0.333333 0.918764 O\n0.333333 0.666667 0.418764 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"I",
"O"
],
"chemical_system": "I-O-Sr",
"density": 4.857787510673449,
"density_atomic": 0.028530482081844253,
"volume": 771.1050916311011,
"volume_molar": 21.107742738887218,
"formula_full": "Sr8 I12 O2",
"formula_reduced": "Sr4I6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-109640",
"created_at": "2022-09-04T14:38:17.697850Z",
"updated_at": "2022-09-04T14:38:17.697888Z",
"structure_string": "Tl2 Co1 F4\n1.0\n3.976240 0.034123 -6.451439\n-0.290450 3.965764 -6.451439\n-0.031444 -0.034123 7.578295\nTl Co F\n2 1 4\ndirect\n0.350686 0.350686 -0.000001 Tl\n0.649314 0.649313 -0.000001 Tl\n0.000000 0.000000 0.000000 Co\n0.145301 0.145301 -0.000000 F\n0.854699 0.854697 -0.000002 F\n0.500001 0.000000 0.500001 F\n0.000000 0.500000 0.500001 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Co",
"F"
],
"chemical_system": "Co-F-Tl",
"density": 7.661498879253445,
"density_atomic": 0.05940303271334552,
"volume": 117.83910147785056,
"volume_molar": 10.13776651616486,
"formula_full": "Tl2 Co1 F4",
"formula_reduced": "Tl2CoF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-26790",
"created_at": "2022-09-04T14:38:31.020344Z",
"updated_at": "2022-09-04T14:38:31.020362Z",
"structure_string": "Sr8 Br12 O2\n1.0\n4.938816 -8.554281 -0.000000\n4.938816 8.554281 0.000000\n0.000000 -0.000000 7.546334\nSr Br O\n8 12 2\ndirect\n0.800061 0.600121 0.998559 Sr\n0.399880 0.199940 0.998559 Sr\n0.666667 0.333333 0.583251 Sr\n0.199940 0.800061 0.498560 Sr\n0.600121 0.800061 0.498560 Sr\n0.199940 0.399880 0.498560 Sr\n0.333333 0.666667 0.083251 Sr\n0.800061 0.199940 0.998559 Sr\n0.862604 0.137396 0.611982 Br\n0.466325 0.533675 0.794087 Br\n0.137396 0.274793 0.111982 Br\n0.274793 0.137396 0.611982 Br\n0.932652 0.466326 0.294087 Br\n0.067349 0.533675 0.794087 Br\n0.533675 0.466325 0.294087 Br\n0.725208 0.862605 0.111982 Br\n0.137396 0.862604 0.111982 Br\n0.466326 0.932652 0.794087 Br\n0.533675 0.067349 0.294087 Br\n0.862605 0.725208 0.611982 Br\n0.333333 0.666667 0.398157 O\n0.666667 0.333333 0.898157 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Br",
"O"
],
"chemical_system": "Br-O-Sr",
"density": 4.405827467505523,
"density_atomic": 0.0345024792441286,
"volume": 637.6353375748732,
"volume_molar": 17.454226165572745,
"formula_full": "Sr8 Br12 O2",
"formula_reduced": "Sr4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-117532",
"created_at": "2022-09-04T14:38:35.583552Z",
"updated_at": "2022-09-04T14:38:35.583576Z",
"structure_string": "Ba2 Br1 Cl3\n1.0\n5.310661 -0.000000 -0.000000\n-2.655330 4.599167 0.000000\n0.000000 0.000000 7.202771\nBa Br Cl\n2 1 3\ndirect\n0.666666 0.333333 0.234347 Ba\n0.333332 0.666667 0.765653 Ba\n0.000000 0.000000 0.500000 Br\n0.000000 0.000000 0.000000 Cl\n0.666666 0.333333 0.774861 Cl\n0.333332 0.666667 0.225139 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 4.35055293763087,
"density_atomic": 0.03410545783726611,
"volume": 175.92492171279292,
"volume_molar": 17.657410695773656,
"formula_full": "Ba2 Br1 Cl3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 164
},
{
"id": "jvasp-110062",
"created_at": "2022-09-04T14:38:17.659993Z",
"updated_at": "2022-09-04T14:38:17.660017Z",
"structure_string": "Yb3 Pm1\n1.0\n5.050841 -0.000000 2.916104\n1.683614 4.761979 2.916104\n-0.000000 -0.000000 5.832209\nYb Pm\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.749999 0.750000 0.749999 Yb\n0.499999 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 4,
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"elements": [
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"Pm"
],
"chemical_system": "Pm-Yb",
"density": 7.861608360783839,
"density_atomic": 0.028515155191829254,
"volume": 140.27628371968888,
"volume_molar": 21.119088146241573,
"formula_full": "Yb3 Pm1",
"formula_reduced": "Yb3Pm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108593",
"created_at": "2022-09-04T14:38:17.630916Z",
"updated_at": "2022-09-04T14:38:17.630940Z",
"structure_string": "Rb2 Ga1 Hg1 I6\n1.0\n7.223212 -0.000000 4.170324\n2.407737 6.810110 4.170324\n-0.000000 -0.000000 8.340647\nRb Ga Hg I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.756859 0.243141 0.243140 I\n0.243141 0.243141 0.756860 I\n0.243141 0.756859 0.756859 I\n0.243141 0.756859 0.243140 I\n0.756859 0.243141 0.756859 I\n0.756859 0.756859 0.243140 I\n",
"nsites": 10,
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"elements": [
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"Ga",
"Hg",
"I"
],
"chemical_system": "Ga-Hg-I-Rb",
"density": 4.867582298886086,
"density_atomic": 0.024373380620771677,
"volume": 410.28366789126164,
"volume_molar": 24.707859995702698,
"formula_full": "Rb2 Ga1 Hg1 I6",
"formula_reduced": "Rb2GaHgI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109838",
"created_at": "2022-09-04T14:38:17.611569Z",
"updated_at": "2022-09-04T14:38:17.611590Z",
"structure_string": "K2 Rb1 Ga1 Cl6\n1.0\n6.570697 -0.000000 3.793594\n2.190232 6.194912 3.793594\n-0.000000 -0.000000 7.587187\nK Rb Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.778646 0.221354 0.221354 Cl\n0.221355 0.221354 0.778646 Cl\n0.221355 0.778645 0.778645 Cl\n0.221355 0.778645 0.221354 Cl\n0.778646 0.221354 0.778645 Cl\n0.778646 0.778645 0.221354 Cl\n",
"nsites": 10,
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"elements": [
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"Ga",
"Cl"
],
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"density": 2.3986076110608647,
"density_atomic": 0.03237968575768789,
"volume": 308.8356099202015,
"volume_molar": 18.598515146399055,
"formula_full": "K2 Rb1 Ga1 Cl6",
"formula_reduced": "K2RbGaCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110217",
"created_at": "2022-09-04T14:38:11.088851Z",
"updated_at": "2022-09-04T14:38:11.088877Z",
"structure_string": "Li4 Zn1 Cd3\n1.0\n4.451200 0.004199 6.712923\n2.026515 3.963135 6.712923\n0.006857 0.004199 8.054593\nLi Zn Cd\n4 1 3\ndirect\n0.126341 0.126341 0.126341 Li\n0.623428 0.623427 0.623428 Li\n0.003103 0.003103 0.003103 Li\n0.496133 0.496132 0.496132 Li\n0.376117 0.376117 0.376117 Zn\n0.873975 0.873974 0.873975 Cd\n0.745902 0.745901 0.745901 Cd\n0.255002 0.255002 0.255002 Cd\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Zn",
"Cd"
],
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"density": 5.041320615340495,
"density_atomic": 0.05642958949896029,
"volume": 141.769594126631,
"volume_molar": 10.671955641483015,
"formula_full": "Li4 Zn1 Cd3",
"formula_reduced": "Li4ZnCd3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-109001",
"created_at": "2022-09-04T14:38:17.591177Z",
"updated_at": "2022-09-04T14:38:17.591196Z",
"structure_string": "K2 Nb1 Hg1 F6\n1.0\n5.911305 -0.000000 3.412894\n1.970435 5.573232 3.412894\n-0.000000 -0.000000 6.825787\nK Nb Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500000 0.499999 Hg\n0.207857 0.207856 0.792144 F\n0.207857 0.792143 0.792143 F\n0.792145 0.792143 0.207855 F\n0.207857 0.792143 0.207856 F\n0.792145 0.207856 0.792143 F\n0.792145 0.207856 0.207855 F\n",
"nsites": 10,
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"elements": [
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"F"
],
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"density": 3.5864033796263604,
"density_atomic": 0.04446894008996098,
"volume": 224.87605910484777,
"volume_molar": 13.54235281483473,
"formula_full": "K2 Nb1 Hg1 F6",
"formula_reduced": "K2NbHgF6",
"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-107892",
"created_at": "2022-09-04T14:38:17.584693Z",
"updated_at": "2022-09-04T14:38:17.584706Z",
"structure_string": "Ac1 Zn2 Cd1\n1.0\n4.460569 -0.000000 2.575311\n1.486856 4.205465 2.575311\n-0.000000 -0.000000 5.150621\nAc Zn Cd\n1 2 1\ndirect\n0.500001 0.499999 0.500000 Ac\n0.250000 0.250000 0.250000 Zn\n0.750001 0.749999 0.750000 Zn\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"formula_full": "Ac1 Zn2 Cd1",
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},
{
"id": "jvasp-109549",
"created_at": "2022-09-04T14:38:28.438426Z",
"updated_at": "2022-09-04T14:38:28.438458Z",
"structure_string": "K3 In1\n1.0\n5.509098 -0.000000 3.180679\n1.836366 5.194028 3.180679\n-0.000000 -0.000000 6.361359\nK In\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 In\n",
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}
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}