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=73",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=71",
"results": [
{
"id": "jvasp-64580",
"created_at": "2022-09-04T14:35:41.256367Z",
"updated_at": "2022-09-04T14:35:41.256391Z",
"structure_string": "Ba4 Zn1 Cu1\n1.0\n-0.000000 5.017720 5.017720\n5.017720 0.000000 5.017720\n5.017720 5.017720 -0.000000\nBa Zn Cu\n4 1 1\ndirect\n0.125240 0.624920 0.624920 Ba\n0.624920 0.624920 0.624920 Ba\n0.624920 0.125240 0.624920 Ba\n0.624920 0.624920 0.125240 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Cu"
],
"chemical_system": "Ba-Cu-Zn",
"density": 4.457567815981198,
"density_atomic": 0.02374663000431511,
"volume": 252.66743108010326,
"volume_molar": 25.359980590533013,
"formula_full": "Ba4 Zn1 Cu1",
"formula_reduced": "Ba4ZnCu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-100827",
"created_at": "2022-09-04T14:36:34.624041Z",
"updated_at": "2022-09-04T14:36:34.624062Z",
"structure_string": "La1 Hg3\n1.0\n3.839998 -0.000000 0.000000\n-1.919999 3.325536 0.000000\n-0.000000 0.000000 9.040968\nLa Hg\n1 3\ndirect\n0.000000 -0.000000 0.500000 La\n0.000000 0.000000 0.000000 Hg\n0.333334 0.666667 0.765310 Hg\n0.333334 0.666667 0.234690 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 10.652939862717076,
"density_atomic": 0.03464594467170211,
"volume": 115.4536277738472,
"volume_molar": 17.381949942668832,
"formula_full": "La1 Hg3",
"formula_reduced": "LaHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-14815",
"created_at": "2022-09-04T14:35:59.980340Z",
"updated_at": "2022-09-04T14:35:59.980368Z",
"structure_string": "Ti3\n1.0\n2.273355 -3.937568 0.000000\n2.273355 3.937568 0.000000\n0.000000 -0.000000 2.820147\nTi\n3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333334 0.666668 0.500000 Ti\n0.666668 0.333334 0.500000 Ti\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.72290808396339,
"density_atomic": 0.059418842392459086,
"volume": 50.48903477764039,
"volume_molar": 10.135069142249524,
"formula_full": "Ti3",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-22561",
"created_at": "2022-09-04T14:36:07.965755Z",
"updated_at": "2022-09-04T14:36:07.965780Z",
"structure_string": "Cs2 Te1 I6\n1.0\n7.175273 -0.000000 4.142646\n2.391758 6.764912 4.142646\n-0.000000 -0.000000 8.285291\nCs Te I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750001 Cs\n0.000000 0.000000 0.000000 Te\n0.746439 0.253561 0.253562 I\n0.746439 0.746439 0.253562 I\n0.253561 0.253561 0.746439 I\n0.746439 0.253561 0.746439 I\n0.253561 0.746439 0.253562 I\n0.253561 0.746439 0.746439 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Te",
"I"
],
"chemical_system": "Cs-I-Te",
"density": 4.768279584290383,
"density_atomic": 0.022378664319658684,
"volume": 402.1687743040987,
"volume_molar": 26.910188534843932,
"formula_full": "Cs2 Te1 I6",
"formula_reduced": "Cs2TeI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90637",
"created_at": "2022-09-04T14:35:42.923581Z",
"updated_at": "2022-09-04T14:35:42.923603Z",
"structure_string": "Y1 Mg6 Cu1\n1.0\n6.679825 -0.284874 0.000000\n-3.586621 5.642461 0.000000\n0.000000 0.000000 4.874415\nY Mg Cu\n1 6 1\ndirect\n0.195920 0.304080 0.250000 Y\n0.176335 0.823520 0.250000 Mg\n0.676480 0.323666 0.250000 Mg\n0.655033 0.844967 0.250000 Mg\n0.314115 0.682615 0.749999 Mg\n0.817385 0.185886 0.749999 Mg\n0.810465 0.689536 0.749999 Mg\n0.354265 0.145735 0.749999 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Y",
"density": 2.7711200504568447,
"density_atomic": 0.04475786914282976,
"volume": 178.7395189541012,
"volume_molar": 13.454931781453567,
"formula_full": "Y1 Mg6 Cu1",
"formula_reduced": "YMg6Cu",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-97511",
"created_at": "2022-09-04T14:36:06.288554Z",
"updated_at": "2022-09-04T14:36:06.288581Z",
"structure_string": "K4 Cu4 Cl12\n1.0\n3.907584 0.702752 0.000000\n0.466859 10.402268 0.000000\n0.000000 0.000000 12.299793\nK Cu Cl\n4 4 12\ndirect\n0.509399 0.491220 0.167366 K\n0.490600 0.008780 0.667365 K\n0.490600 0.508780 0.832634 K\n0.509399 -0.008781 0.332634 K\n0.776659 0.362596 0.551703 Cu\n0.776659 0.862596 0.948297 Cu\n0.223340 0.137404 0.051703 Cu\n0.223340 0.637404 0.448297 Cu\n0.633766 0.586668 0.587360 Cl\n-0.113668 0.178096 0.202845 Cl\n0.895703 0.649860 -0.002757 Cl\n0.366233 0.913333 0.087360 Cl\n0.113668 0.821904 0.797154 Cl\n0.366233 0.413333 0.412640 Cl\n0.895703 0.149859 0.502757 Cl\n0.113668 0.321904 0.702845 Cl\n-0.113668 0.678096 0.297154 Cl\n0.633766 0.086667 0.912639 Cl\n0.104296 0.850141 0.497243 Cl\n0.104296 0.350140 0.002757 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K",
"density": 2.7992886105245955,
"density_atomic": 0.04032881310072519,
"volume": 495.92334765836097,
"volume_molar": 14.932601028845333,
"formula_full": "K4 Cu4 Cl12",
"formula_reduced": "KCuCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-64209",
"created_at": "2022-09-04T14:36:04.979338Z",
"updated_at": "2022-09-04T14:36:04.979358Z",
"structure_string": "Ba4 Mg1 Se1\n1.0\n-0.000000 5.067230 5.067230\n5.067230 -0.000000 5.067230\n5.067230 5.067230 0.000000\nBa Mg Se\n4 1 1\ndirect\n0.120989 0.626337 0.626337 Ba\n0.626337 0.626337 0.626337 Ba\n0.626337 0.120989 0.626337 Ba\n0.626337 0.626337 0.120989 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Se"
],
"chemical_system": "Ba-Mg-Se",
"density": 4.164245749652435,
"density_atomic": 0.023057350585119204,
"volume": 260.2207039291102,
"volume_molar": 26.11809512878978,
"formula_full": "Ba4 Mg1 Se1",
"formula_reduced": "Ba4MgSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-69263",
"created_at": "2022-09-04T14:36:19.194272Z",
"updated_at": "2022-09-04T14:36:19.194297Z",
"structure_string": "Ba1 Li1 Hg2\n1.0\n5.456563 0.000000 0.000000\n0.000000 5.456563 0.000000\n0.000000 0.000000 4.077712\nBa Li Hg\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Hg"
],
"chemical_system": "Ba-Hg-Li",
"density": 7.460149903893517,
"density_atomic": 0.0329461820943318,
"volume": 121.41012237919297,
"volume_molar": 18.278721166408157,
"formula_full": "Ba1 Li1 Hg2",
"formula_reduced": "BaLiHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-102203",
"created_at": "2022-09-04T14:36:33.259828Z",
"updated_at": "2022-09-04T14:36:33.259846Z",
"structure_string": "K1 Zn1 Cu1 Te2\n1.0\n4.113090 -0.004160 -6.916930\n-0.314299 4.101066 -6.916930\n0.003858 0.004160 8.047447\nK Zn Cu Te\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500001 Zn\n0.250000 0.750001 0.500001 Cu\n0.637885 0.637885 0.000001 Te\n0.362115 0.362116 0.000000 Te\n",
"nsites": 5,
"nelements": 4,
"elements": [
"K",
"Zn",
"Cu",
"Te"
],
"chemical_system": "Cu-K-Te-Zn",
"density": 5.168952599222568,
"density_atomic": 0.03677249550687897,
"volume": 135.97119072499873,
"volume_molar": 16.37675299701498,
"formula_full": "K1 Zn1 Cu1 Te2",
"formula_reduced": "KZnCuTe2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.0,
"spacegroup": 119
},
{
"id": "jvasp-93057",
"created_at": "2022-09-04T14:35:57.933780Z",
"updated_at": "2022-09-04T14:35:57.933812Z",
"structure_string": "Na1 Hf1 Mg6\n1.0\n6.461070 -0.000428 0.000000\n-3.230905 5.595236 0.000000\n0.000000 0.000000 5.108769\nNa Hf Mg\n1 1 6\ndirect\n0.083305 0.416695 0.250000 Na\n0.416680 0.083320 0.750000 Hf\n0.093532 0.921821 0.250000 Mg\n0.578180 0.406469 0.250000 Mg\n0.578202 0.921800 0.250000 Mg\n0.424812 0.587377 0.750000 Mg\n0.912623 0.075188 0.750000 Mg\n0.912670 0.587331 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg-Na",
"density": 3.122795811308919,
"density_atomic": 0.0433179083581225,
"volume": 184.6811238867199,
"volume_molar": 13.902196547010318,
"formula_full": "Na1 Hf1 Mg6",
"formula_reduced": "NaHfMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-90183",
"created_at": "2022-09-04T14:35:56.418121Z",
"updated_at": "2022-09-04T14:35:56.418142Z",
"structure_string": "Yb3 Cd3 Ge3\n1.0\n0.000000 0.000000 -4.378517\n-3.643790 -6.311229 0.000000\n-3.643780 6.311223 0.000000\nYb Cd Ge\n3 3 3\ndirect\n0.500000 0.582292 -0.000000 Yb\n0.500000 0.417685 0.417696 Yb\n0.500000 0.999989 0.582304 Yb\n0.000000 0.257054 -0.000000 Cd\n0.000000 0.742925 0.742936 Cd\n0.000000 0.999989 0.257064 Cd\n0.000000 0.333324 0.666666 Ge\n0.000000 0.666657 0.333334 Ge\n0.500000 0.999987 -0.000000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"Ge"
],
"chemical_system": "Cd-Ge-Yb",
"density": 8.858093218795899,
"density_atomic": 0.0446908893945046,
"volume": 201.38332715989048,
"volume_molar": 13.475097143044351,
"formula_full": "Yb3 Cd3 Ge3",
"formula_reduced": "YbCdGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-13085",
"created_at": "2022-09-04T14:37:16.598155Z",
"updated_at": "2022-09-04T14:37:16.598182Z",
"structure_string": "Au2 Br2 F12\n1.0\n0.000000 5.265502 -0.133457\n5.644145 0.000000 0.000000\n0.000000 -1.522114 -8.489606\nAu Br F\n2 2 12\ndirect\n0.250145 0.243327 0.096246 Au\n0.749856 0.743326 0.903755 Au\n0.460303 0.258563 0.667961 Br\n0.539698 0.758563 0.332040 Br\n0.810557 0.589687 0.424040 F\n0.189444 0.089687 0.575961 F\n0.707424 0.035289 0.372299 F\n0.292576 0.535289 0.627702 F\n0.819197 0.549615 0.090109 F\n0.180804 0.049615 0.909892 F\n0.711592 0.019286 0.031074 F\n0.288409 0.519286 0.968927 F\n0.680478 0.933059 0.705741 F\n0.319522 0.433060 0.294260 F\n0.792846 0.461169 0.770192 F\n0.207155 0.961169 0.229809 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Au",
"Br",
"F"
],
"chemical_system": "Au-Br-F",
"density": 5.121614325223917,
"density_atomic": 0.06312849494164906,
"volume": 253.45131409816,
"volume_molar": 9.539496808163074,
"formula_full": "Au2 Br2 F12",
"formula_reduced": "AuBrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 4
}
]
}