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=430",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=428",
"results": [
{
"id": "jvasp-102466",
"created_at": "2022-09-04T14:36:52.941603Z",
"updated_at": "2022-09-04T14:36:52.941634Z",
"structure_string": "Cd3 Pd1\n1.0\n4.244278 0.000000 0.000000\n0.000000 4.244278 0.000000\n-0.000000 0.000000 4.244278\nCd Pd\n3 1\ndirect\n-0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Pd"
],
"chemical_system": "Cd-Pd",
"density": 9.635650803640553,
"density_atomic": 0.0523176856451177,
"volume": 76.4559813890254,
"volume_molar": 11.510717046716282,
"formula_full": "Cd3 Pd1",
"formula_reduced": "Cd3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.002045,
"spacegroup": 221
},
{
"id": "jvasp-3681",
"created_at": "2022-09-04T14:36:10.985249Z",
"updated_at": "2022-09-04T14:36:10.985273Z",
"structure_string": "Ag2 Hg1 I4\n1.0\n5.829567 0.000001 -2.612618\n-1.170888 5.710769 -2.612617\n-0.005083 -0.006233 7.798761\nAg Hg I\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.000000 0.000000 0.000000 Hg\n0.863315 0.905900 0.272232 I\n0.094101 0.591082 0.727767 I\n0.408919 0.366333 0.272233 I\n0.633667 0.136686 0.727767 I\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ag",
"Hg",
"I"
],
"chemical_system": "Ag-Hg-I",
"density": 5.9136555474763774,
"density_atomic": 0.026981071074713783,
"volume": 259.4411460025501,
"volume_molar": 22.319872859472405,
"formula_full": "Ag2 Hg1 I4",
"formula_reduced": "Ag2HgI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0020471428571428,
"spacegroup": 82
},
{
"id": "jvasp-78661",
"created_at": "2022-09-04T14:36:42.007861Z",
"updated_at": "2022-09-04T14:36:42.007886Z",
"structure_string": "Tl1 Br1\n1.0\n4.072069 -0.000000 2.351010\n1.357356 3.839184 2.351010\n-0.000000 -0.000000 4.702020\nTl Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.499999 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Br"
],
"chemical_system": "Br-Tl",
"density": 6.4219663982991575,
"density_atomic": 0.027207677317919347,
"volume": 73.50866362571762,
"volume_molar": 22.133975971678172,
"formula_full": "Tl1 Br1",
"formula_reduced": "TlBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0020499999999999,
"spacegroup": 225
},
{
"id": "jvasp-57479",
"created_at": "2022-09-04T14:37:09.087740Z",
"updated_at": "2022-09-04T14:37:09.087763Z",
"structure_string": "Sc1 F3\n1.0\n4.051272 -0.004685 0.004495\n0.004486 4.051272 0.004495\n-0.004696 -0.004685 4.051272\nSc F\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 -0.000140 0.000140 F\n-0.000140 0.000139 0.500000 F\n0.000140 0.500000 -0.000139 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"F"
],
"chemical_system": "F-Sc",
"density": 2.546040022039601,
"density_atomic": 0.06015671493550141,
"volume": 66.49299258260203,
"volume_molar": 10.010754022151634,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0020599999999999,
"spacegroup": 221
},
{
"id": "jvasp-56060",
"created_at": "2022-09-04T14:37:27.684403Z",
"updated_at": "2022-09-04T14:37:27.684431Z",
"structure_string": "K2 Sn1 Br6\n1.0\n6.458369 -0.000000 3.728742\n2.152790 6.089010 3.728742\n0.000000 -0.000000 7.457483\nK Sn Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Sn\n0.750201 0.249799 0.249799 Br\n0.249799 0.750201 0.750201 Br\n0.249799 0.249799 0.750201 Br\n0.750201 0.249799 0.750200 Br\n0.750201 0.750201 0.249798 Br\n0.249799 0.750201 0.249799 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Sn",
"Br"
],
"chemical_system": "Br-K-Sn",
"density": 3.8295374452742896,
"density_atomic": 0.03068885570783294,
"volume": 293.26606653837746,
"volume_molar": 19.623217031395942,
"formula_full": "K2 Sn1 Br6",
"formula_reduced": "K2SnBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0020977777777777,
"spacegroup": 225
},
{
"id": "jvasp-106283",
"created_at": "2022-09-04T14:38:39.010227Z",
"updated_at": "2022-09-04T14:38:39.010247Z",
"structure_string": "Yb5 Mg1\n1.0\n5.671659 -0.004420 4.177807\n2.109037 5.264950 4.177807\n-0.006537 -0.004420 7.044270\nYb Mg\n5 1\ndirect\n0.840168 0.500000 0.159833 Yb\n0.500000 0.159832 0.840168 Yb\n0.159833 0.840168 0.500000 Yb\n0.664906 0.664905 0.664906 Yb\n0.335095 0.335095 0.335095 Yb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 7.012760134091866,
"density_atomic": 0.028486739472995955,
"volume": 210.62431541832677,
"volume_molar": 21.140154582130034,
"formula_full": "Yb5 Mg1",
"formula_reduced": "Yb5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0021033333333333,
"spacegroup": 155
},
{
"id": "jvasp-74843",
"created_at": "2022-09-04T14:35:59.168347Z",
"updated_at": "2022-09-04T14:35:59.168363Z",
"structure_string": "K2 Na1 Be1\n1.0\n5.723572 0.000000 0.000000\n0.000000 5.723572 0.000000\n-0.000000 0.000000 4.788019\nK Na Be\n2 1 1\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"Be"
],
"chemical_system": "Be-K-Na",
"density": 1.166634503424523,
"density_atomic": 0.025501740688666116,
"volume": 156.85203801706535,
"volume_molar": 23.61462628579097,
"formula_full": "K2 Na1 Be1",
"formula_reduced": "K2NaBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0021074999999999,
"spacegroup": 123
},
{
"id": "jvasp-53618",
"created_at": "2022-09-04T14:37:06.485476Z",
"updated_at": "2022-09-04T14:37:06.485500Z",
"structure_string": "Na2 Ho2 F8\n1.0\n6.248085 0.000017 4.417979\n3.160295 3.825673 8.784700\n0.036198 -0.000108 6.575776\nNa Ho F\n2 2 8\ndirect\n1.000002 0.000003 0.999999 Na\n0.750002 0.499998 0.000000 Na\n0.499999 0.999999 0.000000 Ho\n0.250004 0.500001 0.999999 Ho\n0.375007 0.482395 0.267602 F\n0.142592 0.482419 0.767585 F\n0.142601 0.982409 0.267586 F\n0.875012 0.517591 0.232393 F\n0.607398 0.517591 0.732411 F\n0.607409 0.017578 0.232419 F\n0.374997 0.017604 0.732396 F\n0.874992 0.982407 0.767609 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Ho",
"F"
],
"chemical_system": "F-Ho-Na",
"density": 5.59785551899329,
"density_atomic": 0.07664112996516896,
"volume": 156.5738919227004,
"volume_molar": 7.857583470829408,
"formula_full": "Na2 Ho2 F8",
"formula_reduced": "NaHoF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0021099999999995,
"spacegroup": 141
},
{
"id": "jvasp-85040",
"created_at": "2022-09-04T14:37:15.401733Z",
"updated_at": "2022-09-04T14:37:15.401764Z",
"structure_string": "Ca3 Mg1\n1.0\n4.793970 0.000000 0.000000\n0.000000 5.407017 0.000000\n0.000000 0.000000 5.412833\nCa Mg\n3 1\ndirect\n0.000000 0.000000 -0.083367 Ca\n0.500000 0.000000 0.416647 Ca\n0.500000 0.500000 0.916696 Ca\n0.000000 0.500000 0.416689 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7106315119557043,
"density_atomic": 0.028509021806014733,
"volume": 140.30646253727633,
"volume_molar": 21.123631673428623,
"formula_full": "Ca3 Mg1",
"formula_reduced": "Ca3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0021299999999999,
"spacegroup": 123
},
{
"id": "jvasp-81990",
"created_at": "2022-09-04T14:37:12.206485Z",
"updated_at": "2022-09-04T14:37:12.206502Z",
"structure_string": "Ca3 Mg1\n1.0\n4.793970 0.000000 0.000000\n0.000000 5.407017 0.000000\n0.000000 0.000000 5.412833\nCa Mg\n3 1\ndirect\n0.000000 0.000000 -0.083367 Ca\n0.500000 0.000000 0.416647 Ca\n0.500000 0.500000 0.916696 Ca\n0.000000 0.500000 0.416689 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7106315119557043,
"density_atomic": 0.028509021806014733,
"volume": 140.30646253727633,
"volume_molar": 21.123631673428623,
"formula_full": "Ca3 Mg1",
"formula_reduced": "Ca3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0021299999999999,
"spacegroup": 123
},
{
"id": "jvasp-11561",
"created_at": "2022-09-04T14:37:17.234278Z",
"updated_at": "2022-09-04T14:37:17.234305Z",
"structure_string": "Mg2 Ti2 F10\n1.0\n4.968637 0.063887 -1.861391\n-2.029381 4.851327 -0.708836\n-0.084894 -0.060101 7.453574\nMg Ti F\n2 2 10\ndirect\n0.277668 0.527668 0.750000 Mg\n0.722334 0.472334 0.250000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500001 0.000000 0.500000 Ti\n0.386200 0.136200 0.250000 F\n0.613802 0.863802 0.750000 F\n0.573644 0.716406 0.363833 F\n0.852571 0.209809 0.136167 F\n0.760776 0.669768 0.047977 F\n0.121791 0.712798 0.452023 F\n0.239227 0.330233 0.952023 F\n0.878211 0.287203 0.547977 F\n0.147431 0.790192 0.863833 F\n0.426359 0.283596 0.636167 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"F"
],
"chemical_system": "F-Mg-Ti",
"density": 3.0940561076631874,
"density_atomic": 0.07802509951835075,
"volume": 179.42944112115276,
"volume_molar": 7.718209649426529,
"formula_full": "Mg2 Ti2 F10",
"formula_reduced": "MgTiF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0021342234126983,
"spacegroup": 15
},
{
"id": "jvasp-77495",
"created_at": "2022-09-04T14:37:14.305548Z",
"updated_at": "2022-09-04T14:37:14.305568Z",
"structure_string": "Na1 Cd2 Ag1\n1.0\n-11.758798 2.602441 -2.539177\n-8.146051 0.641898 0.809850\n-6.857186 4.287358 -1.422531\nNa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.748290 0.001131 0.001131 Cd\n0.251711 -0.001131 -0.001131 Cd\n0.500001 -0.000000 -0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Na",
"density": 6.992880394147024,
"density_atomic": 0.04735955207283435,
"volume": 84.4602582779582,
"volume_molar": 12.715789099395488,
"formula_full": "Na1 Cd2 Ag1",
"formula_reduced": "NaCd2Ag",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0021549999999999,
"spacegroup": 139
}
]
}