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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4070",
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"results": [
{
"id": "jvasp-92373",
"created_at": "2022-09-04T14:36:13.185813Z",
"updated_at": "2022-09-04T14:36:13.185839Z",
"structure_string": "Mn4 N1\n1.0\n3.741625 -0.000000 -0.000000\n0.000000 3.741625 -0.000000\n-0.000000 -0.000000 3.741625\nMn N\n4 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.000000 0.500001 0.500001 Mn\n0.500001 0.500001 0.500001 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 7.41031107010148,
"density_atomic": 0.09545292216269839,
"volume": 52.38184318210351,
"volume_molar": 6.309016658217472,
"formula_full": "Mn4 N1",
"formula_reduced": "Mn4N",
"formula_anonymous": "AB4",
"energy_above_hull": 4.670360443103448,
"spacegroup": 221
},
{
"id": "jvasp-35957",
"created_at": "2022-09-04T14:37:11.958220Z",
"updated_at": "2022-09-04T14:37:11.958242Z",
"structure_string": "Mn3 N2\n1.0\n-1.482526 -2.567791 -0.000427\n-1.482509 2.567781 -0.000000\n0.000879 0.000508 -5.937878\nMn N\n3 2\ndirect\n0.333249 0.666625 0.675760 Mn\n0.666752 0.333377 0.324241 Mn\n0.000000 0.000000 0.000000 Mn\n0.333416 0.666709 0.208435 N\n0.666585 0.333294 0.791566 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 7.082689668456616,
"density_atomic": 0.1105987123612388,
"volume": 45.20848293123831,
"volume_molar": 5.44503695515949,
"formula_full": "Mn3 N2",
"formula_reduced": "Mn3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.874693644827586,
"spacegroup": 164
},
{
"id": "jvasp-41259",
"created_at": "2022-09-04T14:37:35.352193Z",
"updated_at": "2022-09-04T14:37:35.352220Z",
"structure_string": "Mn2 Ir6\n1.0\n2.714051 -4.700874 0.000000\n2.714051 4.700874 -0.000000\n0.000000 -0.000000 4.298805\nMn Ir\n2 6\ndirect\n0.333333 0.666667 0.749999 Mn\n0.666667 0.333333 0.250000 Mn\n0.660437 0.830219 0.250000 Ir\n0.169781 0.830219 0.250000 Ir\n0.169781 0.339562 0.250000 Ir\n0.339562 0.169781 0.749999 Ir\n0.830219 0.169781 0.749999 Ir\n0.830219 0.660437 0.749999 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Ir"
],
"chemical_system": "Ir-Mn",
"density": 19.12226470069751,
"density_atomic": 0.0729315814636243,
"volume": 109.69184870878081,
"volume_molar": 8.257246914361279,
"formula_full": "Mn2 Ir6",
"formula_reduced": "MnIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.495185135344828,
"spacegroup": 194
},
{
"id": "jvasp-8018",
"created_at": "2022-09-04T14:36:35.922243Z",
"updated_at": "2022-09-04T14:36:35.922269Z",
"structure_string": "Mn2 Ir2\n1.0\n3.658031 0.000000 0.000000\n0.000000 3.764966 0.000000\n0.000000 0.000000 3.764966\nMn Ir\n2 2\ndirect\n0.500000 0.500001 0.000000 Mn\n0.500000 0.000000 0.500001 Mn\n0.000000 0.500001 0.500001 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Ir"
],
"chemical_system": "Ir-Mn",
"density": 15.829932906936875,
"density_atomic": 0.07714192863825528,
"volume": 51.85247595710705,
"volume_molar": 7.806572724205361,
"formula_full": "Mn2 Ir2",
"formula_reduced": "MnIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.884284170689656,
"spacegroup": 123
},
{
"id": "jvasp-2035",
"created_at": "2022-09-04T14:36:35.340348Z",
"updated_at": "2022-09-04T14:36:35.340364Z",
"structure_string": "Mn1 I2\n1.0\n2.063567 -3.574203 0.000000\n2.063567 3.574203 0.000000\n0.000000 0.000000 6.806683\nMn I\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666668 0.756204 I\n0.666668 0.333334 0.243796 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"I"
],
"chemical_system": "I-Mn",
"density": 5.106090556780278,
"density_atomic": 0.029878441802627494,
"volume": 100.40684249257542,
"volume_molar": 20.155471291914616,
"formula_full": "Mn1 I2",
"formula_reduced": "MnI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9354932637931036,
"spacegroup": 164
},
{
"id": "jvasp-38353",
"created_at": "2022-09-04T14:37:41.938617Z",
"updated_at": "2022-09-04T14:37:41.938626Z",
"structure_string": "Mn3 Hg1\n1.0\n3.988763 0.000000 -0.000000\n0.000000 3.988763 0.000000\n-0.000000 0.000000 3.988763\nMn Hg\n3 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Hg"
],
"chemical_system": "Hg-Mn",
"density": 9.5610999263175,
"density_atomic": 0.06302970774713038,
"volume": 63.462137823130114,
"volume_molar": 9.55444817253524,
"formula_full": "Mn3 Hg1",
"formula_reduced": "Mn3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 2.929524827586208,
"spacegroup": 221
},
{
"id": "jvasp-100211",
"created_at": "2022-09-04T14:36:18.762468Z",
"updated_at": "2022-09-04T14:36:18.762489Z",
"structure_string": "Mn1 Hg3\n1.0\n4.407867 -0.000000 0.000000\n0.000000 4.407867 -0.000000\n0.000000 0.000000 4.407867\nMn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Hg"
],
"chemical_system": "Hg-Mn",
"density": 12.733153902163894,
"density_atomic": 0.04670620116680526,
"volume": 85.641732790781,
"volume_molar": 12.893664244909772,
"formula_full": "Mn1 Hg3",
"formula_reduced": "MnHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-20631",
"created_at": "2022-09-04T14:38:06.523910Z",
"updated_at": "2022-09-04T14:38:06.523922Z",
"structure_string": "Mn1 Hg1\n1.0\n3.306368 0.000000 0.000000\n0.000000 3.306368 0.000000\n0.000000 0.000000 3.306368\nMn Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Hg"
],
"chemical_system": "Hg-Mn",
"density": 11.739081088029637,
"density_atomic": 0.0553320076703118,
"volume": 36.14544427732907,
"volume_molar": 10.883647663540605,
"formula_full": "Mn1 Hg1",
"formula_reduced": "MnHg",
"formula_anonymous": "AB",
"energy_above_hull": 1.1783624137931032,
"spacegroup": 221
},
{
"id": "jvasp-18401",
"created_at": "2022-09-04T14:35:40.851354Z",
"updated_at": "2022-09-04T14:35:40.851379Z",
"structure_string": "Mn2 H2\n1.0\n1.301862 -2.254892 -0.000000\n1.301862 2.254892 -0.000000\n0.000000 0.000000 5.078336\nMn H\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750001 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"H"
],
"chemical_system": "H-Mn",
"density": 6.2316907582739995,
"density_atomic": 0.13415839914905808,
"volume": 29.81550186474541,
"volume_molar": 4.488828726488483,
"formula_full": "Mn2 H2",
"formula_reduced": "MnH",
"formula_anonymous": "AB",
"energy_above_hull": 2.4130436206896544,
"spacegroup": 194
},
{
"id": "jvasp-5293",
"created_at": "2022-09-04T14:37:15.163650Z",
"updated_at": "2022-09-04T14:37:15.163679Z",
"structure_string": "Mn2 H2\n1.0\n1.301863 -2.254894 0.000000\n1.301863 2.254894 0.000000\n0.000000 0.000000 5.078339\nMn H\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"H"
],
"chemical_system": "H-Mn",
"density": 6.23167676294155,
"density_atomic": 0.13415809785179064,
"volume": 29.81556882551321,
"volume_molar": 4.488838807667711,
"formula_full": "Mn2 H2",
"formula_reduced": "MnH",
"formula_anonymous": "AB",
"energy_above_hull": 2.4130436206896544,
"spacegroup": 194
},
{
"id": "jvasp-90659",
"created_at": "2022-09-04T14:35:59.493627Z",
"updated_at": "2022-09-04T14:35:59.493661Z",
"structure_string": "Mn6 Ge2\n1.0\n0.000000 -0.000000 -4.159790\n-2.576363 -4.462672 0.000000\n-2.576363 4.462672 -0.000000\nMn Ge\n6 2\ndirect\n0.750000 0.160365 0.320702 Mn\n0.750000 0.160376 0.839623 Mn\n0.750000 0.679297 0.839634 Mn\n0.250000 0.839634 0.679297 Mn\n0.250000 0.839623 0.160376 Mn\n0.250000 0.320702 0.160365 Mn\n0.750000 0.666672 0.333327 Ge\n0.250000 0.333327 0.666672 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn",
"density": 8.244330740267852,
"density_atomic": 0.08363471153205308,
"volume": 95.65406340803833,
"volume_molar": 7.200527926364652,
"formula_full": "Mn6 Ge2",
"formula_reduced": "Mn3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 3.377454418534483,
"spacegroup": 194
},
{
"id": "jvasp-90797",
"created_at": "2022-09-04T14:35:59.313258Z",
"updated_at": "2022-09-04T14:35:59.313277Z",
"structure_string": "Mn4 Ge4\n1.0\n4.763334 0.000000 0.000000\n-0.000000 4.763334 0.000000\n-0.000000 -0.000000 4.763334\nMn Ge\n4 4\ndirect\n0.635867 0.135868 0.364132 Mn\n0.135868 0.364132 0.635867 Mn\n0.364132 0.635867 0.135868 Mn\n0.864131 0.864131 0.864131 Mn\n0.342254 0.842254 0.657745 Ge\n0.842254 0.657745 0.342254 Ge\n0.657745 0.342254 0.842254 Ge\n0.157745 0.157745 0.157745 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Ge"
],
"chemical_system": "Ge-Mn",
"density": 7.840647458702944,
"density_atomic": 0.07402132970788629,
"volume": 108.07695608239897,
"volume_molar": 8.13568303050681,
"formula_full": "Mn4 Ge4",
"formula_reduced": "MnGe",
"formula_anonymous": "AB",
"energy_above_hull": 1.659436595689655,
"spacegroup": 198
}
]
}