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=-created_at&page=3503",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=3501",
"results": [
{
"id": "jvasp-94792",
"created_at": "2022-09-04T14:36:18.809394Z",
"updated_at": "2022-09-04T14:36:18.809424Z",
"structure_string": "Cr4 As4\n1.0\n0.000000 -3.603859 0.000000\n-5.670542 0.000000 0.000000\n0.000000 0.000000 -6.282678\nCr As\n4 4\ndirect\n0.750000 0.498817 0.722374 Cr\n0.750000 0.998817 0.777626 Cr\n0.250000 0.501182 0.277626 Cr\n0.250000 0.001183 0.222374 Cr\n0.750000 0.278151 0.081799 As\n0.750000 0.778151 0.418201 As\n0.250000 0.721848 0.918201 As\n0.250000 0.221849 0.581799 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"As"
],
"chemical_system": "As-Cr",
"density": 6.565897787997994,
"density_atomic": 0.06230929288627354,
"volume": 128.39176356248402,
"volume_molar": 9.664915907473972,
"formula_full": "Cr4 As4",
"formula_reduced": "CrAs",
"formula_anonymous": "AB",
"energy_above_hull": 2.2936795750000005,
"spacegroup": 62
},
{
"id": "jvasp-94954",
"created_at": "2022-09-04T14:36:18.801134Z",
"updated_at": "2022-09-04T14:36:18.801162Z",
"structure_string": "Sr1 Er2 O4\n1.0\n3.229548 0.000000 0.000000\n0.000000 5.828297 -0.116501\n0.000000 -0.104988 7.246649\nSr Er O\n1 2 4\ndirect\n0.250000 0.581439 0.856728 Sr\n0.750000 0.550880 0.354774 Er\n0.750000 0.041199 0.139846 Er\n0.250000 0.822331 0.256755 O\n0.250000 0.323164 0.154250 O\n0.250000 0.492020 0.538349 O\n0.750000 0.862186 0.895900 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"Er",
"O"
],
"chemical_system": "Er-O-Sr",
"density": 5.919863137800709,
"density_atomic": 0.05133377266685217,
"volume": 136.36246931291922,
"volume_molar": 11.731342636908288,
"formula_full": "Sr1 Er2 O4",
"formula_reduced": "SrEr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.468078615714285,
"spacegroup": 6
},
{
"id": "jvasp-75611",
"created_at": "2022-09-04T14:36:18.798189Z",
"updated_at": "2022-09-04T14:36:18.798216Z",
"structure_string": "V2 Ge1 As1\n1.0\n0.000000 3.113722 3.113722\n3.113722 -0.000000 3.113722\n3.113722 3.113722 0.000000\nV Ge As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.750000 0.750000 0.750000 V\n0.250000 0.250000 0.250000 Ge\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Ge",
"As"
],
"chemical_system": "As-Ge-V",
"density": 6.860467368335233,
"density_atomic": 0.06625070285871737,
"volume": 60.37671794260329,
"volume_molar": 9.089927351929367,
"formula_full": "V2 Ge1 As1",
"formula_reduced": "V2GeAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.008524025,
"spacegroup": 216
},
{
"id": "jvasp-99756",
"created_at": "2022-09-04T14:36:18.795814Z",
"updated_at": "2022-09-04T14:36:18.795844Z",
"structure_string": "Ca3 Nd1\n1.0\n5.183699 0.000000 2.992810\n1.727899 4.887238 2.992810\n-0.000000 -0.000000 5.985619\nCa Nd\n3 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Nd"
],
"chemical_system": "Ca-Nd",
"density": 2.8961632036538574,
"density_atomic": 0.026378351884274336,
"volume": 151.6394965670555,
"volume_molar": 22.82985982755862,
"formula_full": "Ca3 Nd1",
"formula_reduced": "Ca3Nd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.10316319,
"spacegroup": 225
},
{
"id": "jvasp-105848",
"created_at": "2022-09-04T14:36:18.794507Z",
"updated_at": "2022-09-04T14:36:18.794535Z",
"structure_string": "Pr3 Mg1\n1.0\n4.581015 0.010564 -4.206377\n-0.877455 4.496208 -4.206377\n-0.008682 -0.010564 6.219263\nPr Mg\n3 1\ndirect\n0.500001 0.500000 -0.000000 Pr\n0.750001 0.250000 0.500000 Pr\n0.250001 0.750001 0.500001 Pr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Mg"
],
"chemical_system": "Mg-Pr",
"density": 5.810595146455232,
"density_atomic": 0.03131099241863404,
"volume": 127.75066170114395,
"volume_molar": 19.233311673685748,
"formula_full": "Pr3 Mg1",
"formula_reduced": "Pr3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1316557333333337,
"spacegroup": 139
},
{
"id": "jvasp-3612",
"created_at": "2022-09-04T14:36:18.790567Z",
"updated_at": "2022-09-04T14:36:18.790589Z",
"structure_string": "K2 Pd1 Cl6\n1.0\n5.925245 -0.000000 3.420942\n1.975082 5.586374 3.420942\n-0.000000 -0.000000 6.841883\nK Pd Cl\n2 1 6\ndirect\n0.749999 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Pd\n0.242005 0.757995 0.757995 Cl\n0.242005 0.757995 0.242005 Cl\n0.757995 0.242005 0.757995 Cl\n0.757995 0.242005 0.242005 Cl\n0.757995 0.757995 0.242005 Cl\n0.242005 0.242005 0.757995 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Pd",
"Cl"
],
"chemical_system": "Cl-K-Pd",
"density": 2.913355747260067,
"density_atomic": 0.03974024552610405,
"volume": 226.4706692385229,
"volume_molar": 15.153758312953189,
"formula_full": "K2 Pd1 Cl6",
"formula_reduced": "K2PdCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0498197927777777,
"spacegroup": 225
},
{
"id": "jvasp-90711",
"created_at": "2022-09-04T14:36:18.789922Z",
"updated_at": "2022-09-04T14:36:18.789941Z",
"structure_string": "Ba2 Ag2 S2 F2\n1.0\n4.267831 0.000000 0.000000\n0.000000 4.267831 0.000000\n0.000000 0.000000 9.339018\nBa Ag S F\n2 2 2 2\ndirect\n0.750000 0.750000 0.831571 Ba\n0.250000 0.250000 0.168429 Ba\n0.250000 0.750000 0.500000 Ag\n0.750000 0.250000 0.500000 Ag\n0.750000 0.750000 0.322414 S\n0.250000 0.250000 0.677586 S\n0.250000 0.750000 0.000000 F\n0.750000 0.250000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"S",
"F"
],
"chemical_system": "Ag-Ba-F-S",
"density": 5.7840817736157835,
"density_atomic": 0.04702993161226394,
"volume": 170.10443616962118,
"volume_molar": 12.804910731423675,
"formula_full": "Ba2 Ag2 S2 F2",
"formula_reduced": "BaAgSF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-90178",
"created_at": "2022-09-04T14:36:18.784569Z",
"updated_at": "2022-09-04T14:36:18.784585Z",
"structure_string": "Pr2 Mn2 Se2 O3\n1.0\n4.097284 -0.000000 0.000000\n-0.000000 4.097284 0.000000\n-2.048643 -2.048643 9.444780\nPr Mn Se O\n2 2 2 3\ndirect\n0.313465 0.313465 0.626931 Pr\n0.686535 0.686535 0.373069 Pr\n-0.000000 0.499999 -0.000000 Mn\n0.499999 -0.000000 -0.000000 Mn\n0.900477 0.900477 0.800954 Se\n0.099523 0.099523 0.199046 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Pr",
"Mn",
"Se",
"O"
],
"chemical_system": "Mn-O-Pr-Se",
"density": 6.2586789437631705,
"density_atomic": 0.056762109566570906,
"volume": 158.55647488655706,
"volume_molar": 10.609437890847241,
"formula_full": "Pr2 Mn2 Se2 O3",
"formula_reduced": "Pr2Mn2Se2O3",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 2.6401501573435504,
"spacegroup": 139
},
{
"id": "jvasp-98870",
"created_at": "2022-09-04T14:36:18.784132Z",
"updated_at": "2022-09-04T14:36:18.784157Z",
"structure_string": "K4 C8 N12\n1.0\n3.745156 0.000002 0.000027\n0.000003 8.704173 -0.000089\n0.000087 -0.000026 11.971020\nK C N\n4 8 12\ndirect\n0.250002 0.622835 0.869658 K\n0.749992 0.377164 0.130342 K\n0.750010 0.877163 0.369658 K\n0.249999 0.122835 0.630343 K\n0.750004 0.485518 0.624584 C\n0.249997 0.246851 0.368511 C\n0.249998 0.514483 0.375416 C\n0.749997 0.985515 0.875416 C\n0.250002 0.746853 0.131489 C\n0.250004 0.014482 0.124582 C\n0.749998 0.253147 0.868510 C\n0.750004 0.753148 0.631489 C\n0.749999 0.358230 0.591168 N\n0.750003 0.383583 0.895180 N\n0.250010 0.641770 0.408832 N\n0.250010 0.116415 0.395181 N\n0.750000 0.883584 0.604819 N\n0.749991 0.117319 0.823824 N\n0.750011 0.617323 0.676177 N\n0.249992 0.141769 0.091167 N\n0.250020 0.882679 0.176179 N\n0.249980 0.382677 0.323822 N\n0.750001 0.858230 0.908835 N\n0.249990 0.616415 0.104821 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"C",
"N"
],
"chemical_system": "C-K-N",
"density": 1.7895657210468876,
"density_atomic": 0.061501068150060546,
"volume": 390.23712468604293,
"volume_molar": 9.791928727654257,
"formula_full": "K4 C8 N12",
"formula_reduced": "KC2N3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.893134624999999,
"spacegroup": 62
},
{
"id": "jvasp-70176",
"created_at": "2022-09-04T14:36:18.781444Z",
"updated_at": "2022-09-04T14:36:18.781462Z",
"structure_string": "Be2 P1 Br1\n1.0\n-1.626729 1.626729 6.609508\n1.626729 -1.626729 6.609508\n1.626729 1.626729 -6.609508\nBe P Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 P\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Br"
],
"chemical_system": "Be-Br-P",
"density": 3.0594942116058204,
"density_atomic": 0.0571742464606446,
"volume": 69.96156919625282,
"volume_molar": 10.532960437257865,
"formula_full": "Be2 P1 Br1",
"formula_reduced": "Be2PBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.75440295125,
"spacegroup": 119
},
{
"id": "jvasp-61862",
"created_at": "2022-09-04T14:36:18.779800Z",
"updated_at": "2022-09-04T14:36:18.779841Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842749 0.004017\n7.642463 0.000000 0.000000\n0.000000 -0.030450 -9.706724\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991967 0.393734 0.836438 Ca\n0.008033 0.893734 0.663561 Ca\n0.008033 0.606266 0.163561 Ca\n0.991967 0.106266 0.336439 Ca\n0.529252 0.732420 0.915934 Si\n0.470749 0.232420 0.584065 Si\n0.470749 0.267579 0.084065 Si\n0.529251 0.767579 0.415935 Si\n0.428438 0.911363 0.159018 B\n0.571562 0.411363 0.340982 B\n0.571562 0.088637 0.840982 B\n0.428438 0.588637 0.659017 B\n0.810024 0.535200 0.577336 H\n0.189976 0.035200 0.922663 H\n0.810024 0.964800 0.077336 H\n0.189976 0.464800 0.422664 H\n0.678290 0.335260 0.211214 O\n0.260998 0.413722 0.336700 O\n0.739002 0.913721 0.163299 O\n0.687365 0.588984 0.354292 O\n0.312635 0.088984 0.145708 O\n0.312635 0.411016 0.645707 O\n0.687365 0.911015 0.854292 O\n0.321711 0.835259 0.288786 O\n0.678290 0.164740 0.711214 O\n0.241713 0.095466 0.535982 O\n0.325923 0.697587 0.542357 O\n0.674078 0.197587 0.957642 O\n0.674078 0.302413 0.457642 O\n0.325922 0.802413 0.042357 O\n0.758288 0.904534 0.464017 O\n0.241713 0.404534 0.035982 O\n0.260998 0.086278 0.836700 O\n0.758288 0.595466 0.964017 O\n0.321711 0.664740 0.788786 O\n0.739002 0.586278 0.663299 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.9578517639127293,
"density_atomic": 0.10020874999991972,
"volume": 359.250065488581,
"volume_molar": 6.0095957289207025,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-70479",
"created_at": "2022-09-04T14:36:18.779087Z",
"updated_at": "2022-09-04T14:36:18.779114Z",
"structure_string": "Be2 Tc1 Rh1\n1.0\n2.753258 0.000000 0.000000\n0.000000 2.753258 0.000000\n0.000000 0.000000 5.825529\nBe Tc Rh\n2 1 1\ndirect\n0.000000 0.000000 0.775481 Be\n0.000000 0.000000 0.224519 Be\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tc",
"Rh"
],
"chemical_system": "Be-Rh-Tc",
"density": 8.232370667660177,
"density_atomic": 0.0905796843984288,
"volume": 44.16001255210141,
"volume_molar": 6.648445288803038,
"formula_full": "Be2 Tc1 Rh1",
"formula_reduced": "Be2TcRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9310041750000004,
"spacegroup": 123
}
]
}