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=-energy_above_hull&page=197",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=195",
"results": [
{
"id": "jvasp-13973",
"created_at": "2022-09-04T14:37:43.217999Z",
"updated_at": "2022-09-04T14:37:43.218014Z",
"structure_string": "V10 P6 N2\n1.0\n3.439504 -5.957396 -0.000000\n3.439504 5.957396 0.000000\n-0.000000 0.000000 5.136398\nV P N\n10 6 2\ndirect\n0.230325 0.230325 0.750000 V\n0.333332 0.666666 0.000000 V\n0.666666 0.333332 0.000000 V\n0.333332 0.666666 0.500000 V\n-0.000001 0.769675 0.750000 V\n0.666666 0.333332 0.500000 V\n0.230325 -0.000000 0.250000 V\n0.769675 -0.000001 0.750000 V\n-0.000000 0.230325 0.250000 V\n0.769674 0.769674 0.250000 V\n0.404517 -0.000000 0.750000 P\n0.595483 -0.000001 0.250000 P\n0.404516 0.404516 0.250000 P\n-0.000000 0.404517 0.750000 P\n0.595483 0.595483 0.750000 P\n-0.000001 0.595483 0.250000 P\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"P",
"N"
],
"chemical_system": "N-P-V",
"density": 5.7057032509243975,
"density_atomic": 0.08551288385276863,
"volume": 210.4945967088586,
"volume_molar": 7.042378281112108,
"formula_full": "V10 P6 N2",
"formula_reduced": "V5P3N",
"formula_anonymous": "AB3C5",
"energy_above_hull": 4.622454527777778,
"spacegroup": 193
},
{
"id": "jvasp-112107",
"created_at": "2022-09-04T14:38:44.564694Z",
"updated_at": "2022-09-04T14:38:44.564722Z",
"structure_string": "Ti1 H14 C8 O4\n1.0\n4.890404 -0.010637 0.419030\n0.836991 6.284288 -0.026966\n-0.111589 -0.209306 7.873858\nTi H C O\n1 14 8 4\ndirect\n0.256981 0.725943 0.208938 Ti\n0.967458 0.278209 0.821344 H\n0.283155 0.321262 0.296717 H\n0.453682 0.259476 0.890495 H\n0.378729 0.490932 0.777602 H\n-0.084038 0.010716 0.031692 H\n0.626634 0.303522 0.511754 H\n0.879132 0.514829 0.716535 H\n0.241792 0.927817 0.912577 H\n0.599521 0.895650 0.709235 H\n0.915290 -0.007150 0.642215 H\n0.221092 0.114839 0.092587 H\n0.921705 0.420856 0.315253 H\n0.144067 0.501681 0.471115 H\n0.326887 0.199387 0.586602 H\n0.807023 0.415961 0.819040 C\n0.529925 0.348117 0.783389 C\n0.538220 0.216503 0.616521 C\n0.699539 -0.009363 0.614484 C\n0.816264 0.541926 0.984929 C\n0.128485 0.458715 0.335988 C\n0.139316 0.975151 0.039307 C\n0.693379 0.888464 0.438904 C\n0.907779 0.866694 0.339141 O\n0.047550 0.580810 0.023784 O\n0.590334 0.604944 0.079130 O\n0.460026 0.838651 0.396167 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.522166325265073,
"density_atomic": 0.11145608429996232,
"volume": 242.2478787908497,
"volume_molar": 5.403151203295984,
"formula_full": "Ti1 H14 C8 O4",
"formula_reduced": "TiH14(C2O)4",
"formula_anonymous": "AB4C8D14",
"energy_above_hull": 4.62244786419753,
"spacegroup": 1
},
{
"id": "jvasp-120372",
"created_at": "2022-09-04T14:38:53.805858Z",
"updated_at": "2022-09-04T14:38:53.805879Z",
"structure_string": "As1 C2\n1.0\n5.511094 0.000000 0.000000\n0.000000 2.824053 0.000000\n0.000000 0.000000 2.589539\nAs C\n1 2\ndirect\n0.466631 0.000000 0.000000 As\n-0.033316 0.000000 0.749449 C\n-0.033316 0.000000 0.250550 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"As",
"C"
],
"chemical_system": "As-C",
"density": 4.076627726456481,
"density_atomic": 0.07443687578704002,
"volume": 40.302604969381605,
"volume_molar": 8.090265337343052,
"formula_full": "As1 C2",
"formula_reduced": "AsC2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.622433916666666,
"spacegroup": 47
},
{
"id": "jvasp-20401",
"created_at": "2022-09-04T14:37:44.651440Z",
"updated_at": "2022-09-04T14:37:44.651471Z",
"structure_string": "Hf1 Ir3\n1.0\n3.968854 -0.000000 0.000000\n-0.000000 3.968854 -0.000000\n0.000000 0.000000 3.968854\nHf Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.499999 0.499999 Ir\n0.499999 0.499999 0.000000 Ir\n0.499999 0.000000 0.499999 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Ir"
],
"chemical_system": "Hf-Ir",
"density": 20.057729912050867,
"density_atomic": 0.06398300338515607,
"volume": 62.51660266588849,
"volume_molar": 9.412094527274293,
"formula_full": "Hf1 Ir3",
"formula_reduced": "HfIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.621281575,
"spacegroup": 221
},
{
"id": "jvasp-20590",
"created_at": "2022-09-04T14:38:10.935000Z",
"updated_at": "2022-09-04T14:38:10.935028Z",
"structure_string": "Hf1 Ir3\n1.0\n3.968854 0.000000 -0.000000\n0.000000 3.968854 -0.000000\n-0.000000 0.000000 3.968854\nHf Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.499999 0.499999 Ir\n0.499999 0.499999 0.000000 Ir\n0.499999 0.000000 0.499999 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Ir"
],
"chemical_system": "Hf-Ir",
"density": 20.057729912050867,
"density_atomic": 0.06398300338515607,
"volume": 62.51660266588849,
"volume_molar": 9.412094527274293,
"formula_full": "Hf1 Ir3",
"formula_reduced": "HfIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.621281575,
"spacegroup": 221
},
{
"id": "jvasp-103812",
"created_at": "2022-09-04T14:36:51.521833Z",
"updated_at": "2022-09-04T14:36:51.521851Z",
"structure_string": "H6 C6 S2 N2 O2\n1.0\n4.827502 0.027834 0.942208\n0.743944 5.992790 1.536424\n-0.160107 -0.292305 6.489792\nH C S N O\n6 6 2 2 2\ndirect\n0.261014 -0.031903 0.296225 H\n0.625742 0.540958 0.276430 H\n0.639041 0.717658 0.032562 H\n0.297443 0.547144 0.684348 H\n0.601463 0.150466 0.880014 H\n0.667714 0.142269 0.609654 H\n0.813449 0.832318 0.259921 C\n0.837822 0.396313 0.700928 C\n0.609422 0.258019 0.722528 C\n0.124995 0.262128 0.715063 C\n0.596458 0.717399 0.205705 C\n0.107326 0.704200 0.236080 C\n0.163953 0.452041 0.173745 S\n0.164643 0.986602 0.757072 S\n0.310178 0.812091 0.260382 N\n0.335756 0.378768 0.696417 N\n0.800947 0.599294 0.676322 O\n0.767132 0.017771 0.305732 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7632090017830084,
"density_atomic": 0.09449960575853261,
"volume": 190.4769851209113,
"volume_molar": 6.372662310769742,
"formula_full": "H6 C6 S2 N2 O2",
"formula_reduced": "H3C3SNO",
"formula_anonymous": "ABCD3E3",
"energy_above_hull": 4.620888527777778,
"spacegroup": 1
},
{
"id": "jvasp-55529",
"created_at": "2022-09-04T14:37:11.004897Z",
"updated_at": "2022-09-04T14:37:11.004929Z",
"structure_string": "Y4 Cr4 B16\n1.0\n3.464132 0.000000 0.000000\n0.000000 5.921126 -0.000000\n0.000000 -0.000000 11.442154\nY Cr B\n4 4 16\ndirect\n0.000000 0.375909 0.650712 Y\n0.000000 0.624092 0.349287 Y\n0.000000 0.875909 0.849287 Y\n0.000000 0.124092 0.150713 Y\n0.000000 0.378597 0.920965 Cr\n0.000000 0.621404 0.079034 Cr\n0.000000 0.878597 0.579034 Cr\n0.000000 0.121403 0.420966 Cr\n0.500000 0.637535 0.532473 B\n0.500000 0.362466 0.467527 B\n0.500000 0.219952 0.816150 B\n0.500000 0.780049 0.183850 B\n0.500000 0.719952 0.683849 B\n0.500000 0.280048 0.316150 B\n0.500000 0.386818 0.046763 B\n0.500000 0.474773 0.191533 B\n0.500000 0.886818 0.453237 B\n0.500000 0.113183 0.546762 B\n0.500000 0.862466 0.032473 B\n0.500000 0.525228 0.808467 B\n0.500000 0.974773 0.308467 B\n0.500000 0.025228 0.691532 B\n0.500000 0.613183 0.953237 B\n0.500000 0.137535 0.967527 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Y",
"Cr",
"B"
],
"chemical_system": "B-Cr-Y",
"density": 5.211523934055581,
"density_atomic": 0.10225974793093462,
"volume": 234.69645178677146,
"volume_molar": 5.889062785552046,
"formula_full": "Y4 Cr4 B16",
"formula_reduced": "YCrB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.6200355305555565,
"spacegroup": 55
},
{
"id": "jvasp-112089",
"created_at": "2022-09-04T14:38:44.392384Z",
"updated_at": "2022-09-04T14:38:44.392413Z",
"structure_string": "H6 C6 S2 N2 O2\n1.0\n4.418654 -0.233889 2.088257\n-0.014597 6.193485 2.486530\n0.080037 -0.147670 7.073518\nH C S N O\n6 6 2 2 2\ndirect\n0.531838 0.160365 0.015157 H\n0.537657 0.253884 0.579811 H\n0.598977 0.435653 0.869710 H\n0.531801 0.660365 0.515153 H\n0.537621 0.753879 0.079807 H\n0.598941 0.935654 0.369707 H\n0.127895 0.254869 0.846178 C\n0.127857 0.754878 0.346170 C\n0.618531 0.778790 0.344942 C\n0.949053 0.748615 0.219524 C\n0.618568 0.278789 0.844947 C\n0.949089 0.248615 0.719528 C\n0.094598 0.213035 0.479079 S\n0.094561 0.713024 0.979079 S\n0.434084 0.266113 0.736125 N\n0.434049 0.766115 0.236119 N\n-0.008444 0.751456 0.543032 O\n-0.008408 0.251438 0.043041 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7302873353554262,
"density_atomic": 0.09273516121725904,
"volume": 194.10113449665303,
"volume_molar": 6.493913075636312,
"formula_full": "H6 C6 S2 N2 O2",
"formula_reduced": "H3C3SNO",
"formula_anonymous": "ABCD3E3",
"energy_above_hull": 4.61999075,
"spacegroup": 1
},
{
"id": "jvasp-56617",
"created_at": "2022-09-04T14:38:14.436989Z",
"updated_at": "2022-09-04T14:38:14.437025Z",
"structure_string": "Pr2 Re4\n1.0\n4.796723 0.000000 2.769389\n1.598908 4.522393 2.769389\n0.000000 0.000000 5.538779\nPr Re\n2 4\ndirect\n0.125000 0.125000 0.125000 Pr\n0.875000 0.874999 0.875001 Pr\n0.500000 0.500000 0.000000 Re\n0.500000 0.000000 0.500000 Re\n0.500000 0.500000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pr",
"Re"
],
"chemical_system": "Pr-Re",
"density": 14.188670322848417,
"density_atomic": 0.04993720988251101,
"volume": 120.1508857646714,
"volume_molar": 12.059425775225524,
"formula_full": "Pr2 Re4",
"formula_reduced": "PrRe2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.619655283333334,
"spacegroup": 227
},
{
"id": "jvasp-101934",
"created_at": "2022-09-04T14:37:03.095972Z",
"updated_at": "2022-09-04T14:37:03.095993Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n5.497436 -0.014742 -1.405059\n-3.167713 4.713046 -1.371519\n0.031213 0.159886 6.450794\nZr H C O\n1 6 5 4\ndirect\n0.253647 0.260803 0.234471 Zr\n0.612745 0.820912 0.097249 H\n0.802809 0.930891 0.747309 H\n-0.002875 0.918415 0.526710 H\n0.651866 0.254387 -0.002682 H\n0.513033 0.415015 0.907649 H\n0.132489 0.683761 0.703921 H\n0.842915 0.978584 0.931521 C\n0.043925 0.078545 0.454649 C\n0.949497 0.484047 0.562191 C\n0.244368 0.627395 0.224003 C\n0.003478 0.281140 0.491772 C\n0.260410 0.832448 0.208524 O\n0.705039 0.460481 0.475087 O\n0.482814 0.272755 0.976164 O\n0.581326 0.777529 0.933379 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.175145204076295,
"density_atomic": 0.09469631975033832,
"volume": 168.96115965417798,
"volume_molar": 6.35942429006433,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.619453031249999,
"spacegroup": 1
},
{
"id": "jvasp-71654",
"created_at": "2022-09-04T14:36:01.109406Z",
"updated_at": "2022-09-04T14:36:01.109443Z",
"structure_string": "Be1 Cr2 Re1\n1.0\n-1.784015 1.784015 3.738875\n1.784015 -1.784015 3.738875\n1.784015 1.784015 -3.738875\nBe Cr Re\n1 2 1\ndirect\n0.750002 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Cr\n0.250000 0.750002 0.500001 Cr\n0.500001 0.500001 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Re"
],
"chemical_system": "Be-Cr-Re",
"density": 10.438287806991465,
"density_atomic": 0.08403535730310913,
"volume": 47.599012229724984,
"volume_molar": 7.166198792109133,
"formula_full": "Be1 Cr2 Re1",
"formula_reduced": "BeCr2Re",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.6193422250000005,
"spacegroup": 119
},
{
"id": "jvasp-101078",
"created_at": "2022-09-04T14:36:39.980121Z",
"updated_at": "2022-09-04T14:36:39.980133Z",
"structure_string": "Zr2 V3 Fe1\n1.0\n4.449333 -0.006492 2.336868\n1.409351 4.220229 2.336868\n-0.009027 -0.006492 5.025678\nZr V Fe\n2 3 1\ndirect\n0.626149 0.626151 0.626151 Zr\n0.373849 0.373851 0.373851 Zr\n-0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n-0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"V",
"Fe"
],
"chemical_system": "Fe-V-Zr",
"density": 6.86906074899569,
"density_atomic": 0.06345885939709436,
"volume": 94.54944600335388,
"volume_molar": 9.489834543536942,
"formula_full": "Zr2 V3 Fe1",
"formula_reduced": "Zr2V3Fe",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.61923785,
"spacegroup": 166
}
]
}