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=id&page=1201",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1199",
"results": [
{
"id": "jvasp-120826",
"created_at": "2022-09-04T14:38:54.140896Z",
"updated_at": "2022-09-04T14:38:54.140929Z",
"structure_string": "Mg1 B1 H1\n1.0\n2.677678 0.000000 -0.000000\n-0.000000 2.677678 -0.000000\n-0.000000 -0.000000 6.036525\nMg B H\n1 1 1\ndirect\n0.000000 0.000000 0.634902 Mg\n0.000000 0.000000 0.257661 B\n0.000000 0.000000 0.058353 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 1.3859274778902215,
"density_atomic": 0.06931345549149114,
"volume": 43.28163959980725,
"volume_molar": 8.68827086645431,
"formula_full": "Mg1 B1 H1",
"formula_reduced": "MgBH",
"formula_anonymous": "ABC",
"energy_above_hull": 2.150410544444445,
"spacegroup": 99
},
{
"id": "jvasp-120827",
"created_at": "2022-09-04T14:38:53.997037Z",
"updated_at": "2022-09-04T14:38:53.997065Z",
"structure_string": "Mg2 B2 H2\n1.0\n3.587017 0.000000 -0.875633\n0.000000 3.074073 0.000000\n-1.593147 0.000000 6.020097\nMg B H\n2 2 2\ndirect\n0.720066 0.250000 0.253606 Mg\n0.279936 0.750000 0.746395 Mg\n-0.060347 0.250000 -0.063791 B\n0.060348 0.750000 0.063792 B\n0.686172 0.250000 0.716973 H\n0.313830 0.750000 0.283029 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 1.9320854432177377,
"density_atomic": 0.09662808517087378,
"volume": 62.09374830712838,
"volume_molar": 6.2322882103589805,
"formula_full": "Mg2 B2 H2",
"formula_reduced": "MgBH",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8237038777777776,
"spacegroup": 11
},
{
"id": "jvasp-120829",
"created_at": "2022-09-04T14:38:50.496240Z",
"updated_at": "2022-09-04T14:38:50.496257Z",
"structure_string": "Mg1 B1 H1\n1.0\n3.884645 -0.000000 -0.000000\n-1.942322 3.364201 0.000000\n0.000000 0.000000 2.774221\nMg B H\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Mg\n0.000000 0.000000 0.000000 B\n0.333332 0.666666 0.000000 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 1.654511851863817,
"density_atomic": 0.08274598450048985,
"volume": 36.25553575934842,
"volume_molar": 7.277864655733656,
"formula_full": "Mg1 B1 H1",
"formula_reduced": "MgBH",
"formula_anonymous": "ABC",
"energy_above_hull": 2.238603877777778,
"spacegroup": 187
},
{
"id": "jvasp-12083",
"created_at": "2022-09-04T14:36:14.707812Z",
"updated_at": "2022-09-04T14:36:14.707830Z",
"structure_string": "Ni1 I2\n1.0\n3.755442 -0.012856 5.811465\n1.704715 3.346260 5.811465\n-0.021058 -0.012856 6.919250\nNi I\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.255645 0.255644 0.255645 I\n0.744354 0.744353 0.744356 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"I"
],
"chemical_system": "I-Ni",
"density": 5.919177995042314,
"density_atomic": 0.03422002191915549,
"volume": 87.66797423705556,
"volume_molar": 17.59829603332007,
"formula_full": "Ni1 I2",
"formula_reduced": "NiI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0837049833333333,
"spacegroup": 166
},
{
"id": "jvasp-120830",
"created_at": "2022-09-04T14:38:54.154130Z",
"updated_at": "2022-09-04T14:38:54.154150Z",
"structure_string": "Mg1 B1 H3\n1.0\n3.227511 0.000000 0.000000\n0.000000 3.227511 0.000000\n0.000000 0.000000 3.227511\nMg B H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 B\n0.499999 0.499999 0.000000 H\n0.499999 0.000000 0.499999 H\n0.000000 0.499999 0.499999 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 1.88375554291455,
"density_atomic": 0.1487191213904781,
"volume": 33.62042455100283,
"volume_molar": 4.049338581141976,
"formula_full": "Mg1 B1 H3",
"formula_reduced": "MgBH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.531042326666667,
"spacegroup": 221
},
{
"id": "jvasp-120831",
"created_at": "2022-09-04T14:38:54.027721Z",
"updated_at": "2022-09-04T14:38:54.027754Z",
"structure_string": "B1 H1 N1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nB H N\n1 1 1\ndirect\n-0.001139 -0.047148 0.000000 B\n0.166020 -0.000405 0.000000 H\n-0.000411 0.212022 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 0.21463043768308984,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "B1 H1 N1",
"formula_reduced": "BHN",
"formula_anonymous": "ABC",
"energy_above_hull": 4.438391944444444,
"spacegroup": 6
},
{
"id": "jvasp-120832",
"created_at": "2022-09-04T14:38:50.523055Z",
"updated_at": "2022-09-04T14:38:50.523073Z",
"structure_string": "B1 H1 N1\n1.0\n2.768089 0.000000 0.000000\n-1.384045 2.397235 -0.000000\n0.000000 -0.000000 2.913406\nB H N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.333336 0.666669 0.000000 H\n0.666668 0.333334 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 2.218239940172152,
"density_atomic": 0.1551777980772648,
"volume": 19.332662514686962,
"volume_molar": 3.880800497634015,
"formula_full": "B1 H1 N1",
"formula_reduced": "BHN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.9917986111111112,
"spacegroup": 187
},
{
"id": "jvasp-120834",
"created_at": "2022-09-04T14:38:53.273738Z",
"updated_at": "2022-09-04T14:38:53.273760Z",
"structure_string": "B1 H1 N2\n1.0\n2.313686 -0.000000 0.000000\n0.000000 2.313686 0.000000\n0.000000 -0.000000 4.647130\nB H N\n1 1 2\ndirect\n0.500000 0.500000 0.535637 B\n0.000000 0.000000 0.197220 H\n0.000000 0.000000 0.420896 N\n0.500000 0.500000 0.856248 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 2.658834214161658,
"density_atomic": 0.160792701616012,
"volume": 24.876750995529473,
"volume_molar": 3.745282403663716,
"formula_full": "B1 H1 N2",
"formula_reduced": "BHN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.482807270833333,
"spacegroup": 99
},
{
"id": "jvasp-120836",
"created_at": "2022-09-04T14:38:50.595789Z",
"updated_at": "2022-09-04T14:38:50.595808Z",
"structure_string": "Tl1 B1 Se1\n1.0\n5.252958 0.000000 0.000000\n-2.626479 4.549195 0.000000\n-0.000000 0.000000 2.788899\nTl B Se\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Tl\n0.000000 0.000000 0.000000 B\n0.333333 0.666665 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"B",
"Se"
],
"chemical_system": "B-Se-Tl",
"density": 7.329140221124429,
"density_atomic": 0.04501424668275291,
"volume": 66.64556714995393,
"volume_molar": 13.37829954690182,
"formula_full": "Tl1 B1 Se1",
"formula_reduced": "TlBSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.96352285,
"spacegroup": 187
},
{
"id": "jvasp-120837",
"created_at": "2022-09-04T14:38:54.173440Z",
"updated_at": "2022-09-04T14:38:54.173467Z",
"structure_string": "Tl1 B1 Se2\n1.0\n3.126620 0.000000 0.000000\n0.000000 3.126620 0.000000\n-0.000000 -0.000000 8.820530\nTl B Se\n1 1 2\ndirect\n0.500001 0.500001 0.636388 Tl\n0.000000 0.000000 0.076032 B\n0.000000 0.000000 0.302409 Se\n0.500001 0.500001 0.995171 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"B",
"Se"
],
"chemical_system": "B-Se-Tl",
"density": 7.1853198790692625,
"density_atomic": 0.04638901026557794,
"volume": 86.22731929609893,
"volume_molar": 12.981826353964296,
"formula_full": "Tl1 B1 Se2",
"formula_reduced": "TlBSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7161679791666666,
"spacegroup": 99
},
{
"id": "jvasp-120839",
"created_at": "2022-09-04T14:38:53.560061Z",
"updated_at": "2022-09-04T14:38:53.560086Z",
"structure_string": "B1 Se1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nB Se\n1 1\ndirect\n0.000000 0.000000 0.891728 B\n0.000000 0.000000 0.108271 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"Se"
],
"chemical_system": "B-Se",
"density": 0.256623046819796,
"density_atomic": 0.0034430275049691906,
"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "B1 Se1",
"formula_reduced": "BSe",
"formula_anonymous": "AB",
"energy_above_hull": 3.380507975,
"spacegroup": 99
},
{
"id": "jvasp-120840",
"created_at": "2022-09-04T14:38:53.584663Z",
"updated_at": "2022-09-04T14:38:53.584685Z",
"structure_string": "B1 Se1\n1.0\n3.458216 0.000000 -0.000000\n-1.729108 2.994903 0.000000\n-0.000000 -0.000000 3.401286\nB Se\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.333332 0.666666 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"Se"
],
"chemical_system": "B-Se",
"density": 4.231624591704029,
"density_atomic": 0.05677432343078661,
"volume": 35.22719213797754,
"volume_molar": 10.607155481723305,
"formula_full": "B1 Se1",
"formula_reduced": "BSe",
"formula_anonymous": "AB",
"energy_above_hull": 2.432127975,
"spacegroup": 187
}
]
}