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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=986",
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"results": [
{
"id": "jvasp-81731",
"created_at": "2022-09-04T14:36:51.327386Z",
"updated_at": "2022-09-04T14:36:51.327401Z",
"structure_string": "Sr1 Hg2 Pb1\n1.0\n-11.097574 -0.000001 -6.407187\n-7.125554 -1.338632 -0.472552\n-5.443340 3.419392 -3.386235\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.742635 -0.000001 -0.000000 Hg\n0.257366 -0.000000 -0.000000 Hg\n0.500000 -0.000001 -0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Hg-Pb-Sr",
"density": 8.588869140226608,
"density_atomic": 0.02972607985605707,
"volume": 134.56197451427315,
"volume_molar": 20.25877878671214,
"formula_full": "Sr1 Hg2 Pb1",
"formula_reduced": "SrHg2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0679499999999999,
"spacegroup": 71
},
{
"id": "jvasp-77191",
"created_at": "2022-09-04T14:37:01.413973Z",
"updated_at": "2022-09-04T14:37:01.414008Z",
"structure_string": "Sr1 Hg2 Pb1\n1.0\n-10.715288 -0.000000 -6.186475\n-10.904510 -0.040664 6.514217\n-7.187431 10.472827 0.076047\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.737849 0.000000 0.000000 Hg\n0.262151 0.000000 0.000000 Hg\n0.500000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Sr",
"density": 0.8029482825076504,
"density_atomic": 0.002779004357432385,
"volume": 1439.3644217584938,
"volume_molar": 216.70137881914138,
"formula_full": "Sr1 Hg2 Pb1",
"formula_reduced": "SrHg2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3689274999999999,
"spacegroup": 71
},
{
"id": "jvasp-81217",
"created_at": "2022-09-04T14:37:09.903898Z",
"updated_at": "2022-09-04T14:37:09.903933Z",
"structure_string": "Sr1 Hg2 Bi1\n1.0\n-12.573485 1.940406 -4.090634\n-8.363999 -0.441259 0.378860\n-6.652623 4.399250 -2.585334\nSr Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.752477 -0.002023 -0.002023 Hg\n0.247521 0.002025 0.002025 Hg\n0.499999 0.000001 0.000001 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Sr",
"density": 9.475158691316716,
"density_atomic": 0.032709855067391186,
"volume": 122.28730429281674,
"volume_molar": 18.41078399030737,
"formula_full": "Sr1 Hg2 Bi1",
"formula_reduced": "SrHg2Bi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-16556",
"created_at": "2022-09-04T14:37:43.459127Z",
"updated_at": "2022-09-04T14:37:43.459153Z",
"structure_string": "Sr1 Hg2\n1.0\n2.544897 -4.407892 0.000000\n2.544897 4.407892 -0.000000\n0.000000 -0.000000 3.849200\nSr Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666668 0.500000 Hg\n0.666668 0.333334 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 9.398935451773967,
"density_atomic": 0.034739185129478746,
"volume": 86.35781146905141,
"volume_molar": 17.33529654640567,
"formula_full": "Sr1 Hg2",
"formula_reduced": "SrHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1130066666666666,
"spacegroup": 191
},
{
"id": "jvasp-37313",
"created_at": "2022-09-04T14:38:16.715686Z",
"updated_at": "2022-09-04T14:38:16.715716Z",
"structure_string": "Sr1 Hg1 O2\n1.0\n1.921000 1.109090 6.417080\n-1.921000 1.109090 6.417080\n-0.000000 -2.218181 6.417080\nSr Hg O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Hg\n0.896436 0.896436 0.896436 O\n0.103564 0.103564 0.103564 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"O"
],
"chemical_system": "Hg-O-Sr",
"density": 6.481855896705693,
"density_atomic": 0.04876149388709772,
"volume": 82.03194121290856,
"volume_molar": 12.350197420004513,
"formula_full": "Sr1 Hg1 O2",
"formula_reduced": "SrHgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1988194774999999,
"spacegroup": 166
},
{
"id": "jvasp-14770",
"created_at": "2022-09-04T14:38:06.804909Z",
"updated_at": "2022-09-04T14:38:06.804929Z",
"structure_string": "Sr1 Hg1\n1.0\n3.958816 -0.000000 -0.000000\n0.000000 3.958816 -0.000000\n0.000000 0.000000 3.958816\nSr Hg\n1 1\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 7.713690195693451,
"density_atomic": 0.032235472852122436,
"volume": 62.04345160918949,
"volume_molar": 18.68171994133938,
"formula_full": "Sr1 Hg1",
"formula_reduced": "SrHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.25513,
"spacegroup": 221
},
{
"id": "jvasp-51118",
"created_at": "2022-09-04T14:36:55.999163Z",
"updated_at": "2022-09-04T14:36:55.999173Z",
"structure_string": "Sr1 Hf2 Mo1\n1.0\n0.000000 3.569090 3.569090\n3.569090 0.000000 3.569090\n3.569090 3.569090 0.000000\nSr Hf Mo\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Hf\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"Mo"
],
"chemical_system": "Hf-Mo-Sr",
"density": 9.87130204192431,
"density_atomic": 0.04399035808745848,
"volume": 90.92901658239487,
"volume_molar": 13.6896834256889,
"formula_full": "Sr1 Hf2 Mo1",
"formula_reduced": "SrHf2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2893145525000005,
"spacegroup": 216
},
{
"id": "jvasp-51174",
"created_at": "2022-09-04T14:37:03.638575Z",
"updated_at": "2022-09-04T14:37:03.638592Z",
"structure_string": "Sr1 Hf1 Re2\n1.0\n0.000016 3.368522 3.368519\n3.368526 0.000007 3.368527\n3.368542 3.368547 -0.000009\nSr Hf Re\n1 1 2\ndirect\n0.250000 0.249999 0.250000 Sr\n0.500000 0.500001 0.500001 Hf\n0.000002 0.000000 0.999999 Re\n0.749999 0.749999 0.750002 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"Re"
],
"chemical_system": "Hf-Re-Sr",
"density": 13.869978183532266,
"density_atomic": 0.05232502520702467,
"volume": 76.4452570098905,
"volume_molar": 11.509102453698432,
"formula_full": "Sr1 Hf1 Re2",
"formula_reduced": "SrHfRe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.8757688275,
"spacegroup": 216
},
{
"id": "jvasp-7773",
"created_at": "2022-09-04T14:36:34.432346Z",
"updated_at": "2022-09-04T14:36:34.432361Z",
"structure_string": "Sr1 Hf1 O3\n1.0\n4.125890 0.000000 0.000000\n0.000000 4.125890 0.000000\n0.000000 -0.000000 4.125822\nSr Hf O\n1 1 3\ndirect\n0.500000 0.500000 0.489914 Sr\n0.000000 0.000000 0.988999 Hf\n0.500000 0.000000 0.988189 O\n0.000000 0.500000 0.988189 O\n0.000000 0.000000 0.488709 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"O"
],
"chemical_system": "Hf-O-Sr",
"density": 7.426472787704294,
"density_atomic": 0.0711908579485035,
"volume": 70.23373708484861,
"volume_molar": 8.45914901651581,
"formula_full": "Sr1 Hf1 O3",
"formula_reduced": "SrHfO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.860763962,
"spacegroup": 221
},
{
"id": "jvasp-8061",
"created_at": "2022-09-04T14:36:37.857774Z",
"updated_at": "2022-09-04T14:36:37.857803Z",
"structure_string": "Sr1 Hf1 O3\n1.0\n4.125872 0.000000 0.000000\n-0.000000 4.125872 0.000000\n-0.000000 -0.000000 4.125872\nSr Hf O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"O"
],
"chemical_system": "Hf-O-Sr",
"density": 7.426447587388869,
"density_atomic": 0.07119061637593911,
"volume": 70.23397541041507,
"volume_molar": 8.459177721117966,
"formula_full": "Sr1 Hf1 O3",
"formula_reduced": "SrHfO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.860763962,
"spacegroup": 221
},
{
"id": "jvasp-1681",
"created_at": "2022-09-04T14:37:00.299866Z",
"updated_at": "2022-09-04T14:37:00.299898Z",
"structure_string": "Sr1 Hf1 N2\n1.0\n3.227090 0.001652 5.314381\n1.488440 2.863330 5.314381\n0.002720 0.001652 6.217455\nSr Hf N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.499999 0.500000 Hf\n0.767217 0.767215 0.767216 N\n0.232784 0.232783 0.232783 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"N"
],
"chemical_system": "Hf-N-Sr",
"density": 8.511920230507961,
"density_atomic": 0.06971221165500596,
"volume": 57.378756247116776,
"volume_molar": 8.638573668846664,
"formula_full": "Sr1 Hf1 N2",
"formula_reduced": "SrHfN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3959214525,
"spacegroup": 166
},
{
"id": "jvasp-92203",
"created_at": "2022-09-04T14:35:58.089419Z",
"updated_at": "2022-09-04T14:35:58.089437Z",
"structure_string": "Sr1 Hf1 Mg6\n1.0\n6.636760 0.000119 0.000000\n-3.318276 5.747662 0.000000\n0.000000 0.000000 5.172311\nSr Hf Mg\n1 1 6\ndirect\n0.083327 0.416673 0.250000 Sr\n0.416656 0.083344 0.750000 Hf\n0.097337 0.923697 0.250000 Mg\n0.576302 0.402662 0.250000 Mg\n0.576343 0.923656 0.250000 Mg\n0.435241 0.592599 0.750000 Mg\n0.907401 0.064759 0.750000 Mg\n0.907391 0.592609 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Hf",
"Mg"
],
"chemical_system": "Hf-Mg-Sr",
"density": 3.4669422100476277,
"density_atomic": 0.0405465145465989,
"volume": 197.3042588113422,
"volume_molar": 14.852425238867164,
"formula_full": "Sr1 Hf1 Mg6",
"formula_reduced": "SrHfMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00064,
"spacegroup": 187
}
]
}