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=formula_full&page=4473",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=4471",
"results": [
{
"id": "jvasp-93829",
"created_at": "2022-09-04T14:36:21.819536Z",
"updated_at": "2022-09-04T14:36:21.819545Z",
"structure_string": "Yb2 Sn2 Hg2\n1.0\n-2.409560 -4.173348 0.000000\n-2.409560 4.173348 0.000000\n0.000000 0.000000 -7.692973\nYb Sn Hg\n2 2 2\ndirect\n0.999995 0.000005 0.254123 Yb\n0.000005 0.999995 0.754123 Yb\n0.333330 0.666670 0.040021 Sn\n0.666670 0.333330 0.540021 Sn\n0.333330 0.666670 0.435856 Hg\n0.666670 0.333330 0.935856 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Sn",
"Hg"
],
"chemical_system": "Hg-Sn-Yb",
"density": 10.568118274543215,
"density_atomic": 0.03877972285795657,
"volume": 154.7200329919057,
"volume_molar": 15.529096951151667,
"formula_full": "Yb2 Sn2 Hg2",
"formula_reduced": "YbSnHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-17433",
"created_at": "2022-09-04T14:37:37.423574Z",
"updated_at": "2022-09-04T14:37:37.423602Z",
"structure_string": "Yb2 Sn4 Pd2\n1.0\n4.451780 -0.000000 -0.000000\n-2.225890 5.532191 0.000000\n-0.000000 0.000000 7.473671\nYb Sn Pd\n2 4 2\ndirect\n0.573327 0.146655 0.250000 Yb\n0.426672 0.853345 0.750000 Yb\n0.138274 0.276547 0.542190 Sn\n0.861726 0.723453 0.457808 Sn\n0.138274 0.276547 0.957809 Sn\n0.861726 0.723453 0.042191 Sn\n0.698494 0.396987 0.750000 Pd\n0.301506 0.603013 0.250000 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Yb",
"Sn",
"Pd"
],
"chemical_system": "Pd-Sn-Yb",
"density": 9.326184128449713,
"density_atomic": 0.043463545577009,
"volume": 184.0622962023553,
"volume_molar": 13.855613204242463,
"formula_full": "Yb2 Sn4 Pd2",
"formula_reduced": "YbSn2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.24664245,
"spacegroup": 63
},
{
"id": "jvasp-14392",
"created_at": "2022-09-04T14:36:50.109154Z",
"updated_at": "2022-09-04T14:36:50.109176Z",
"structure_string": "Yb2 Ta2 O8\n1.0\n0.000000 5.132130 -0.052275\n5.397206 0.000000 0.000000\n0.000000 -0.496300 -5.336813\nYb Ta O\n2 2 8\ndirect\n-0.000000 0.759886 0.250000 Yb\n-0.000000 0.240115 0.750000 Yb\n0.500000 0.708125 0.750000 Ta\n0.500000 0.291875 0.250000 Ta\n0.269519 0.555692 0.978982 O\n0.730481 0.555692 0.521018 O\n0.730481 0.444309 0.021019 O\n0.269519 0.444309 0.478982 O\n0.739379 0.068600 0.412887 O\n0.260621 0.068600 0.087114 O\n0.260621 0.931400 0.587114 O\n0.739379 0.931400 0.912886 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Ta",
"O"
],
"chemical_system": "O-Ta-Yb",
"density": 9.381676958050079,
"density_atomic": 0.08110010791630935,
"volume": 147.9652778314834,
"volume_molar": 7.425564422447505,
"formula_full": "Yb2 Ta2 O8",
"formula_reduced": "YbTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3810739833333336,
"spacegroup": 13
},
{
"id": "jvasp-34463",
"created_at": "2022-09-04T14:37:14.294065Z",
"updated_at": "2022-09-04T14:37:14.294094Z",
"structure_string": "Yb2 Ta2 O8\n1.0\n4.773918 0.043798 -1.822431\n-1.249690 4.841515 -2.034467\n-0.060385 -0.106658 6.442277\nYb Ta O\n2 2 8\ndirect\n0.621896 0.371900 0.243797 Yb\n0.378103 0.628099 0.756202 Yb\n0.145201 0.895199 0.290398 Ta\n0.854798 0.104800 0.709602 Ta\n-0.001029 0.793912 0.555796 O\n0.796993 0.611991 0.065555 O\n0.001028 0.206087 0.444203 O\n0.268562 0.953564 0.065549 O\n0.731437 0.046435 0.934450 O\n0.443177 0.738120 0.444203 O\n0.203006 0.388009 0.934444 O\n0.556822 0.261879 0.555797 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Ta",
"O"
],
"chemical_system": "O-Ta-Yb",
"density": 9.41467271939402,
"density_atomic": 0.08138534048376396,
"volume": 147.4467014412006,
"volume_molar": 7.399539922305039,
"formula_full": "Yb2 Ta2 O8",
"formula_reduced": "YbTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3813573166666666,
"spacegroup": 15
},
{
"id": "jvasp-92465",
"created_at": "2022-09-04T14:36:00.871316Z",
"updated_at": "2022-09-04T14:36:00.871332Z",
"structure_string": "Yb2 Te1 O2\n1.0\n3.717047 0.000000 0.000000\n-1.858524 3.217692 0.000245\n0.000000 -0.000469 8.349769\nYb Te O\n2 1 2\ndirect\n0.333239 0.666633 0.345213 Yb\n0.666607 0.333366 0.654787 Yb\n0.000107 0.000000 0.000000 Te\n0.333221 0.666592 0.614966 O\n0.666630 0.333408 0.385033 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Te",
"O"
],
"chemical_system": "O-Te-Yb",
"density": 8.408274053283627,
"density_atomic": 0.0500671670584454,
"volume": 99.86584609756932,
"volume_molar": 12.028123646321182,
"formula_full": "Yb2 Te1 O2",
"formula_reduced": "Yb2TeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3997232333333329,
"spacegroup": 164
},
{
"id": "jvasp-46087",
"created_at": "2022-09-04T14:38:04.329914Z",
"updated_at": "2022-09-04T14:38:04.329942Z",
"structure_string": "Yb2 Te1 O2\n1.0\n-1.888341 1.888341 7.056781\n1.888341 -1.888341 7.056781\n1.888341 1.888341 -7.056781\nYb Te O\n2 1 2\ndirect\n0.328306 0.328306 0.000000 Yb\n0.671694 0.671694 0.000000 Yb\n0.000000 0.000000 0.000000 Te\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Te",
"O"
],
"chemical_system": "O-Te-Yb",
"density": 8.342502926221758,
"density_atomic": 0.049675532106330245,
"volume": 100.6531744702306,
"volume_molar": 12.122951692011343,
"formula_full": "Yb2 Te1 O2",
"formula_reduced": "Yb2TeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4215252333333329,
"spacegroup": 139
},
{
"id": "jvasp-93898",
"created_at": "2022-09-04T14:36:20.416558Z",
"updated_at": "2022-09-04T14:36:20.416577Z",
"structure_string": "Yb2 Te4\n1.0\n4.382750 -0.000000 -0.000000\n0.000000 4.382750 0.000000\n0.000000 0.000000 9.334703\nYb Te\n2 4\ndirect\n0.750000 0.750000 0.710677 Yb\n0.250000 0.250000 0.289323 Yb\n0.750000 0.250000 0.000000 Te\n0.250000 0.750000 0.000000 Te\n0.750000 0.750000 0.366186 Te\n0.250000 0.250000 0.633814 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Te"
],
"chemical_system": "Te-Yb",
"density": 7.931812182864935,
"density_atomic": 0.03346242022949928,
"volume": 179.3056198221614,
"volume_molar": 17.99672802713504,
"formula_full": "Yb2 Te4",
"formula_reduced": "YbTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5155359222222223,
"spacegroup": 129
},
{
"id": "jvasp-106318",
"created_at": "2022-09-04T14:36:39.615830Z",
"updated_at": "2022-09-04T14:36:39.615855Z",
"structure_string": "Yb2 Ti1 Cu1 O6\n1.0\n3.492508 -0.000000 0.000000\n-1.746254 3.024601 -0.000000\n-0.000000 0.000000 11.617897\nYb Ti Cu O\n2 1 1 6\ndirect\n0.666668 0.333333 0.742232 Yb\n0.666668 0.333333 0.257769 Yb\n0.000000 0.000000 0.000000 Ti\n0.333334 0.666667 0.500000 Cu\n0.000000 0.000000 0.841108 O\n0.333334 0.666667 0.346011 O\n0.666668 0.333333 0.000000 O\n0.666668 0.333333 0.500000 O\n0.333334 0.666667 0.653989 O\n0.000000 0.000000 0.158892 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti-Yb",
"density": 7.489026763519792,
"density_atomic": 0.08148299378616648,
"volume": 122.72499493873184,
"volume_molar": 7.390671942913307,
"formula_full": "Yb2 Ti1 Cu1 O6",
"formula_reduced": "Yb2TiCuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7011771183333333,
"spacegroup": 187
},
{
"id": "jvasp-111724",
"created_at": "2022-09-04T14:38:41.613787Z",
"updated_at": "2022-09-04T14:38:41.613813Z",
"structure_string": "Yb2 Ti2 Cl2 O6\n1.0\n4.992886 -0.015911 1.485345\n3.503879 3.556964 1.485345\n0.053131 0.022143 10.155659\nYb Ti Cl O\n2 2 2 6\ndirect\n0.284560 0.284559 0.187431 Yb\n0.715442 0.715439 0.812570 Yb\n0.886421 0.886419 0.430999 Ti\n0.113580 0.113580 0.569002 Ti\n0.609314 0.609313 0.102706 Cl\n0.390688 0.390686 0.897295 Cl\n0.852307 0.852304 0.261400 O\n0.147695 0.147694 0.738601 O\n0.659324 0.659321 0.553435 O\n0.340678 0.340677 0.446566 O\n0.913286 0.913283 0.622999 O\n0.086716 0.086716 0.377002 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Yb",
"Ti",
"Cl",
"O"
],
"chemical_system": "Cl-O-Ti-Yb",
"density": 5.597044873343839,
"density_atomic": 0.06644708520216201,
"volume": 180.5948291560207,
"volume_molar": 9.063062347547573,
"formula_full": "Yb2 Ti2 Cl2 O6",
"formula_reduced": "YbTiClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.453330600138889,
"spacegroup": 12
},
{
"id": "jvasp-52249",
"created_at": "2022-09-04T14:37:51.238085Z",
"updated_at": "2022-09-04T14:37:51.238104Z",
"structure_string": "Yb2 Ti2 O6\n1.0\n5.792098 -0.031179 -0.021084\n3.412045 4.680526 -0.021084\n3.412045 1.723548 4.351684\nYb Ti O\n2 2 6\ndirect\n0.362538 0.362539 0.362539 Yb\n0.637460 0.637461 0.637462 Yb\n0.148818 0.148818 0.148818 Ti\n0.851180 0.851183 0.851183 Ti\n0.024725 0.809773 0.435166 O\n0.435165 0.024727 0.809772 O\n0.809772 0.435166 0.024728 O\n0.190226 0.564835 0.975273 O\n0.564832 0.975274 0.190229 O\n0.975273 0.190227 0.564835 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Ti",
"O"
],
"chemical_system": "O-Ti-Yb",
"density": 7.513325591581678,
"density_atomic": 0.08413058636250116,
"volume": 118.86283493748735,
"volume_molar": 7.158087231261947,
"formula_full": "Yb2 Ti2 O6",
"formula_reduced": "YbTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4818379066666667,
"spacegroup": 148
},
{
"id": "jvasp-53160",
"created_at": "2022-09-04T14:38:13.458492Z",
"updated_at": "2022-09-04T14:38:13.458512Z",
"structure_string": "Yb2 Ti4 Cd2 O12 F2\n1.0\n6.206162 0.032019 3.613911\n2.092700 5.919051 3.624664\n0.026658 0.032019 7.181649\nYb Ti Cd O F\n2 4 2 12 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 -0.000000 Yb\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.827466 0.826545 0.420076 O\n0.828841 0.421159 0.828841 O\n0.420077 0.826545 0.827465 O\n0.827466 0.425912 0.420077 O\n0.420077 0.425912 0.827466 O\n0.419600 0.830400 0.419599 O\n0.579923 0.173455 0.172534 O\n0.580400 0.169600 0.580400 O\n0.172534 0.574088 0.579923 O\n0.172534 0.173455 0.579923 O\n0.171159 0.578841 0.171158 O\n0.579923 0.574088 0.172534 O\n0.118397 0.131603 0.118396 F\n0.881603 0.868397 0.881603 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Yb",
"Ti",
"Cd",
"O",
"F"
],
"chemical_system": "Cd-F-O-Ti-Yb",
"density": 6.282594297346429,
"density_atomic": 0.08387712208805839,
"volume": 262.28844591142865,
"volume_molar": 7.179717913637591,
"formula_full": "Yb2 Ti4 Cd2 O12 F2",
"formula_reduced": "YbTi2CdO6F",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 1.863322581742424,
"spacegroup": 74
},
{
"id": "jvasp-41075",
"created_at": "2022-09-04T14:37:55.705037Z",
"updated_at": "2022-09-04T14:37:55.705058Z",
"structure_string": "Yb2 Tl1 Cd1\n1.0\n0.000000 3.761379 3.761379\n3.761379 0.000000 3.761379\n3.761379 3.761379 0.000000\nYb Tl Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Tl",
"Cd"
],
"chemical_system": "Cd-Tl-Yb",
"density": 10.342106285658604,
"density_atomic": 0.03758276332549932,
"volume": 106.43176940866566,
"volume_molar": 16.023677417871166,
"formula_full": "Yb2 Tl1 Cd1",
"formula_reduced": "Yb2TlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}