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=energy_above_hull&page=118",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=116",
"results": [
{
"id": "jvasp-66255",
"created_at": "2022-09-04T14:35:52.390546Z",
"updated_at": "2022-09-04T14:35:52.390573Z",
"structure_string": "Ba1 Na1 Te1\n1.0\n0.000000 4.007296 4.007296\n4.007296 0.000000 4.007296\n4.007296 4.007296 -0.000000\nBa Na Te\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Te"
],
"chemical_system": "Ba-Na-Te",
"density": 3.71476883647115,
"density_atomic": 0.023309716437599205,
"volume": 128.70169433553977,
"volume_molar": 25.835323977970504,
"formula_full": "Ba1 Na1 Te1",
"formula_reduced": "BaNaTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-69286",
"created_at": "2022-09-04T14:35:52.371602Z",
"updated_at": "2022-09-04T14:35:52.371625Z",
"structure_string": "Ba2 In1 Sb1\n1.0\n-0.000000 4.229479 4.229479\n4.229479 0.000000 4.229479\n4.229479 4.229479 0.000000\nBa In Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Sb"
],
"chemical_system": "Ba-In-Sb",
"density": 5.610176350403246,
"density_atomic": 0.02643439509438134,
"volume": 151.31800768348978,
"volume_molar": 22.781458544818424,
"formula_full": "Ba2 In1 Sb1",
"formula_reduced": "Ba2InSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107898",
"created_at": "2022-09-04T14:36:03.987112Z",
"updated_at": "2022-09-04T14:36:03.987137Z",
"structure_string": "Ca1 Ag3\n1.0\n4.237288 0.000000 2.446400\n1.412429 3.994954 2.446400\n-0.000000 -0.000000 4.892799\nCa Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Ag\n0.750001 0.749999 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca",
"density": 7.291459696571355,
"density_atomic": 0.04829507560031084,
"volume": 82.82417928287195,
"volume_molar": 12.46947164932327,
"formula_full": "Ca1 Ag3",
"formula_reduced": "CaAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105672",
"created_at": "2022-09-04T14:35:51.097796Z",
"updated_at": "2022-09-04T14:35:51.097817Z",
"structure_string": "Na2 Li1 Bi1 Br6\n1.0\n6.700246 0.000000 3.868389\n2.233415 6.317053 3.868389\n0.000000 0.000000 7.736778\nNa Li Bi Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.741176 0.258824 0.258824 Br\n0.258825 0.258824 0.741176 Br\n0.258825 0.741175 0.741176 Br\n0.258825 0.741175 0.258824 Br\n0.741176 0.258824 0.741176 Br\n0.741177 0.741175 0.258824 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Li-Na",
"density": 3.7591729209646387,
"density_atomic": 0.030537578464616105,
"volume": 327.4653886386899,
"volume_molar": 19.720426644102954,
"formula_full": "Na2 Li1 Bi1 Br6",
"formula_reduced": "Na2LiBiBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69046",
"created_at": "2022-09-04T14:35:51.096837Z",
"updated_at": "2022-09-04T14:35:51.096864Z",
"structure_string": "Ba2 In1 Te1\n1.0\n0.000000 4.248870 4.248870\n4.248870 0.000000 4.248870\n4.248870 4.248870 0.000000\nBa In Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Te"
],
"chemical_system": "Ba-In-Te",
"density": 5.596928930919193,
"density_atomic": 0.02607412032162608,
"volume": 153.4088188080642,
"volume_molar": 23.09623751718745,
"formula_full": "Ba2 In1 Te1",
"formula_reduced": "Ba2InTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-3309",
"created_at": "2022-09-04T14:35:51.736290Z",
"updated_at": "2022-09-04T14:35:51.736308Z",
"structure_string": "K4 Cu2 As2\n1.0\n5.875420 0.000000 0.000000\n0.000000 6.019678 -1.701428\n0.000000 0.016258 6.255486\nK Cu As\n4 2 2\ndirect\n0.250000 0.023218 0.683554 K\n0.750000 0.976783 0.316447 K\n0.750000 0.316447 0.976783 K\n0.250000 0.683554 0.023217 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.250000 0.255186 0.255186 As\n0.750000 0.744814 0.744814 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cu",
"As"
],
"chemical_system": "As-Cu-K",
"density": 3.2499307256939947,
"density_atomic": 0.03613248574917627,
"volume": 221.40740760362385,
"volume_molar": 16.666832173696463,
"formula_full": "K4 Cu2 As2",
"formula_reduced": "K2CuAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-105713",
"created_at": "2022-09-04T14:35:51.706443Z",
"updated_at": "2022-09-04T14:35:51.706467Z",
"structure_string": "Ac2 Tl1 In1\n1.0\n5.033018 0.000000 2.905814\n1.677672 4.745175 2.905814\n0.000000 0.000000 5.811629\nAc Tl In\n2 1 1\ndirect\n0.750000 0.750001 0.749999 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.499999 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Tl",
"In"
],
"chemical_system": "Ac-In-Tl",
"density": 9.25045454678256,
"density_atomic": 0.028819164889638916,
"volume": 138.796527079037,
"volume_molar": 20.89630557672781,
"formula_full": "Ac2 Tl1 In1",
"formula_reduced": "Ac2TlIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69256",
"created_at": "2022-09-04T14:36:03.108578Z",
"updated_at": "2022-09-04T14:36:03.108605Z",
"structure_string": "Ba2 Cd1 Sb1\n1.0\n0.000000 4.208159 4.208159\n4.208159 0.000000 4.208159\n4.208159 4.208159 -0.000000\nBa Cd Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 5.6690608798690665,
"density_atomic": 0.02683821165027582,
"volume": 149.04122719215874,
"volume_molar": 22.438681229857988,
"formula_full": "Ba2 Cd1 Sb1",
"formula_reduced": "Ba2CdSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-3801",
"created_at": "2022-09-04T14:35:49.787321Z",
"updated_at": "2022-09-04T14:35:49.787348Z",
"structure_string": "Rb1 Bi1 F6\n1.0\n5.131220 -0.029132 -0.604636\n-0.676676 5.086490 -0.604637\n-0.025660 -0.029131 5.166657\nRb Bi F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.211787 0.926292 0.340981 F\n0.926291 0.340982 0.211787 F\n0.659018 0.788212 0.073708 F\n0.073708 0.659019 0.788212 F\n0.788212 0.073709 0.659019 F\n0.340981 0.211789 0.926292 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"F"
],
"chemical_system": "Bi-F-Rb",
"density": 5.04012711347182,
"density_atomic": 0.05945050934813056,
"volume": 134.56570999507446,
"volume_molar": 10.129670588245967,
"formula_full": "Rb1 Bi1 F6",
"formula_reduced": "RbBiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-105679",
"created_at": "2022-09-04T14:36:03.103722Z",
"updated_at": "2022-09-04T14:36:03.103746Z",
"structure_string": "Rb2 In1 Sb1 Br6\n1.0\n7.093599 0.000000 4.095491\n2.364533 6.687910 4.095491\n0.000000 0.000000 8.190984\nRb In Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.757258 0.242742 0.242742 Br\n0.242742 0.242742 0.757257 Br\n0.242742 0.757258 0.757257 Br\n0.242742 0.757258 0.242742 Br\n0.757258 0.242742 0.757257 Br\n0.757258 0.757258 0.242742 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"Sb",
"Br"
],
"chemical_system": "Br-In-Rb-Sb",
"density": 3.790085714783425,
"density_atomic": 0.02573397460517925,
"volume": 388.5913526155182,
"volume_molar": 23.40151823569445,
"formula_full": "Rb2 In1 Sb1 Br6",
"formula_reduced": "Rb2InSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-91402",
"created_at": "2022-09-04T14:35:53.439344Z",
"updated_at": "2022-09-04T14:35:53.439367Z",
"structure_string": "Ba4 Mg6 F20\n1.0\n5.697595 0.000000 -1.832872\n-0.902879 7.260793 -2.806652\n0.004954 0.010640 9.787492\nBa Mg F\n4 6 20\ndirect\n0.717436 0.315029 0.434875 Ba\n0.282562 0.684971 0.565124 Ba\n0.614027 0.719592 0.228056 Ba\n0.385972 0.280408 0.771944 Ba\n0.253734 -0.000000 0.000000 Mg\n0.177197 0.016179 0.354395 Mg\n0.746265 -0.000000 0.000000 Mg\n0.073825 0.453853 0.147651 Mg\n0.926173 0.546147 0.852348 Mg\n0.822801 0.983821 0.645605 Mg\n0.866345 0.256602 0.732691 F\n0.780513 0.500000 0.000000 F\n0.219486 0.500000 0.000000 F\n0.517107 0.180965 0.034215 F\n0.482891 0.819035 0.965785 F\n0.236520 0.281027 0.473041 F\n0.763478 0.718973 0.526959 F\n0.133653 0.743397 0.267309 F\n0.021788 0.181971 0.043576 F\n0.089840 0.526911 0.704154 F\n0.614313 0.526911 0.704154 F\n0.910158 0.473089 0.295845 F\n0.385686 0.473089 0.295845 F\n-0.000000 -0.000000 0.500000 F\n0.636347 0.973910 0.778625 F\n0.857722 0.026090 0.221374 F\n0.363651 0.026090 0.221374 F\n0.142276 0.973910 0.778625 F\n0.978210 0.818028 0.956424 F\n0.499999 -0.000000 0.500000 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"F"
],
"chemical_system": "Ba-F-Mg",
"density": 4.406373880564509,
"density_atomic": 0.07404610014119624,
"volume": 405.15300526015443,
"volume_molar": 8.1329614233789,
"formula_full": "Ba4 Mg6 F20",
"formula_reduced": "Ba2Mg3F10",
"formula_anonymous": "A2B3C10",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-86781",
"created_at": "2022-09-04T14:35:50.966264Z",
"updated_at": "2022-09-04T14:35:50.966279Z",
"structure_string": "Rb4 Fe2 I8\n1.0\n7.109104 0.000000 -2.586618\n0.000000 8.012516 0.000000\n0.039306 0.000000 10.325033\nRb Fe I\n4 2 8\ndirect\n0.199243 0.743885 0.037459 Rb\n0.297364 0.743859 0.587660 Rb\n0.702636 0.243858 0.412339 Rb\n0.800757 0.243884 0.962541 Rb\n0.801823 0.744139 0.214131 Fe\n0.198177 0.244139 0.785868 Fe\n0.632258 0.744464 0.944896 I\n0.582323 0.744300 0.362297 I\n0.028471 0.487893 0.279584 I\n0.367742 0.244464 0.055103 I\n0.971115 0.500163 0.720285 I\n0.417677 0.244299 0.637703 I\n0.971529 0.987893 0.720416 I\n0.028885 0.000163 0.279715 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"I"
],
"chemical_system": "Fe-I-Rb",
"density": 4.141279156114396,
"density_atomic": 0.023771231401834316,
"volume": 588.9471926523623,
"volume_molar": 25.33373495970974,
"formula_full": "Rb4 Fe2 I8",
"formula_reduced": "Rb2FeI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 11
}
]
}