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=99",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=97",
"results": [
{
"id": "jvasp-108733",
"created_at": "2022-09-04T14:38:11.168080Z",
"updated_at": "2022-09-04T14:38:11.168104Z",
"structure_string": "Ta1 V1 C1 N1\n1.0\n2.936763 -0.000612 4.387841\n1.332433 2.617097 4.387841\n-0.000998 -0.000612 5.279937\nTa V C N\n1 1 1 1\ndirect\n0.746004 0.746009 0.746008 Ta\n0.258884 0.258886 0.258885 V\n0.994821 0.994827 0.994826 C\n0.500281 0.500284 0.500284 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ta",
"V",
"C",
"N"
],
"chemical_system": "C-N-Ta-V",
"density": 10.548229894401087,
"density_atomic": 0.09852075267641346,
"volume": 40.6005830379494,
"volume_molar": 6.112560649814992,
"formula_full": "Ta1 V1 C1 N1",
"formula_reduced": "TaVCN",
"formula_anonymous": "ABCD",
"energy_above_hull": 5.3424791625,
"spacegroup": 160
},
{
"id": "jvasp-112100",
"created_at": "2022-09-04T14:38:44.487637Z",
"updated_at": "2022-09-04T14:38:44.487659Z",
"structure_string": "H5 C7 S1 N1 O1\n1.0\n3.705881 0.024799 -0.142941\n-0.151684 5.432728 -0.135044\n-0.023286 -0.052322 7.629493\nH C S N O\n5 7 1 1 1\ndirect\n0.713153 0.153877 0.601570 H\n0.233152 0.838749 0.249195 H\n0.193247 0.852888 0.577691 H\n0.750066 0.140975 0.273640 H\n0.535760 0.726101 0.830851 H\n0.307983 0.695284 0.509845 C\n0.328075 0.688159 0.328610 C\n0.450085 0.503524 0.607797 C\n0.490269 0.488947 0.246966 C\n0.594792 0.298039 0.523514 C\n0.616395 0.290610 0.341019 C\n0.435113 0.396665 0.927441 C\n0.240690 0.119620 0.926330 S\n0.481140 0.546418 0.791768 N\n0.575985 0.525525 0.072577 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6345631729011776,
"density_atomic": 0.09766369615371862,
"volume": 153.58828910581698,
"volume_molar": 6.166201973885363,
"formula_full": "H5 C7 S1 N1 O1",
"formula_reduced": "H5C7SNO",
"formula_anonymous": "ABCD5E7",
"energy_above_hull": 5.342271116666667,
"spacegroup": 1
},
{
"id": "jvasp-51101",
"created_at": "2022-09-04T14:38:12.899554Z",
"updated_at": "2022-09-04T14:38:12.899579Z",
"structure_string": "Sr1 Cr1 W2\n1.0\n-0.000000 3.262741 3.262741\n3.262741 0.000000 3.262741\n3.262741 3.262741 0.000000\nSr Cr W\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.750000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Cr",
"W"
],
"chemical_system": "Cr-Sr-W",
"density": 12.126426093124572,
"density_atomic": 0.05758139664292283,
"volume": 69.46688050665108,
"volume_molar": 10.458483314228824,
"formula_full": "Sr1 Cr1 W2",
"formula_reduced": "SrCrW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.3393909275,
"spacegroup": 225
},
{
"id": "jvasp-104709",
"created_at": "2022-09-04T14:36:56.082013Z",
"updated_at": "2022-09-04T14:36:56.082022Z",
"structure_string": "Nb6 Si1 Ge1\n1.0\n5.159304 0.000000 0.000000\n0.000000 5.159304 0.000000\n0.000000 0.000000 5.159304\nNb Si Ge\n6 1 1\ndirect\n-0.000000 0.500000 0.747086 Nb\n0.500000 0.252913 -0.000000 Nb\n0.747086 0.000000 0.500000 Nb\n-0.000000 0.500000 0.252913 Nb\n0.500000 0.747086 -0.000000 Nb\n0.252913 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Si",
"Ge"
],
"chemical_system": "Ge-Nb-Si",
"density": 7.958106022489094,
"density_atomic": 0.05825277673833081,
"volume": 137.3325092456225,
"volume_molar": 10.337946270014253,
"formula_full": "Nb6 Si1 Ge1",
"formula_reduced": "Nb6SiGe",
"formula_anonymous": "ABC6",
"energy_above_hull": 5.33769886875,
"spacegroup": 200
},
{
"id": "jvasp-75537",
"created_at": "2022-09-04T14:36:11.129232Z",
"updated_at": "2022-09-04T14:36:11.129252Z",
"structure_string": "Ta1 As1 Os2\n1.0\n-0.000000 3.169023 3.169023\n3.169023 0.000000 3.169023\n3.169023 3.169023 -0.000000\nTa As Os\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ta\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Os\n0.749999 0.749999 0.749999 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"As",
"Os"
],
"chemical_system": "As-Os-Ta",
"density": 16.600645365446194,
"density_atomic": 0.06284255328362696,
"volume": 63.65113750147644,
"volume_molar": 9.582902739200147,
"formula_full": "Ta1 As1 Os2",
"formula_reduced": "TaAsOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.3356277375,
"spacegroup": 216
},
{
"id": "jvasp-112054",
"created_at": "2022-09-04T14:38:43.462595Z",
"updated_at": "2022-09-04T14:38:43.462609Z",
"structure_string": "H12 C12 N4 O2\n1.0\n5.709900 0.020311 1.430473\n1.520158 5.105309 1.212003\n0.646281 0.329568 9.614130\nH C N O\n12 12 4 2\ndirect\n0.467865 0.301625 0.137968 H\n0.115927 0.599653 0.747906 H\n0.115927 0.099653 0.247907 H\n0.709719 0.385169 0.275496 H\n0.369778 0.168170 0.391421 H\n0.369777 0.668170 0.891421 H\n0.709718 0.885170 0.775496 H\n0.015374 0.638924 0.071771 H\n0.866970 0.769547 0.462277 H\n0.866968 0.269549 0.962276 H\n0.467865 0.801624 0.637968 H\n0.015375 0.138922 0.571771 H\n0.216954 0.373054 0.575096 C\n0.246349 0.552167 0.644609 C\n0.246349 0.052167 0.144609 C\n0.442636 0.666302 0.582748 C\n0.442636 0.166303 0.082747 C\n0.216952 0.873054 0.075096 C\n0.387823 0.811382 0.944074 C\n0.608868 0.110847 0.947765 C\n0.387824 0.311380 0.444074 C\n0.579959 0.432937 0.378580 C\n0.579959 0.932939 0.878579 C\n0.608868 0.610845 0.447766 C\n0.793571 0.247756 0.884223 N\n0.793574 0.747755 0.384222 N\n0.004131 0.774714 0.130823 N\n0.004131 0.274713 0.630823 N\n0.000241 0.115660 0.782401 O\n0.000241 0.615660 0.282401 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.4818895741618885,
"density_atomic": 0.10961114328930688,
"volume": 273.69480054430426,
"volume_molar": 5.494095380526416,
"formula_full": "H12 C12 N4 O2",
"formula_reduced": "H6C6N2O",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.335492,
"spacegroup": 1
},
{
"id": "jvasp-107351",
"created_at": "2022-09-04T14:36:55.194545Z",
"updated_at": "2022-09-04T14:36:55.194577Z",
"structure_string": "Cr1 B2 W1\n1.0\n4.386684 0.004982 0.000000\n-3.305337 2.884054 0.000000\n0.000000 0.000000 3.007179\nCr B W\n1 2 1\ndirect\n0.858568 0.141430 -0.000000 Cr\n0.434909 0.565088 0.500000 B\n0.557193 0.442804 -0.000000 B\n0.149324 0.850673 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"B",
"W"
],
"chemical_system": "B-Cr-W",
"density": 11.222554578163448,
"density_atomic": 0.1050016346424342,
"volume": 38.094645036921015,
"volume_molar": 5.7352828653643435,
"formula_full": "Cr1 B2 W1",
"formula_reduced": "CrB2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.335443141666667,
"spacegroup": 38
},
{
"id": "jvasp-37151",
"created_at": "2022-09-04T14:38:03.646328Z",
"updated_at": "2022-09-04T14:38:03.646348Z",
"structure_string": "Nb3 Cr1\n1.0\n3.214372 3.214372 -0.000000\n3.214372 -0.000000 -3.214372\n0.000000 3.214372 -3.214372\nNb Cr\n3 1\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.750000 Nb\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Cr"
],
"chemical_system": "Cr-Nb",
"density": 8.267703650928974,
"density_atomic": 0.06022011584959471,
"volume": 66.42298746137202,
"volume_molar": 10.000214504802432,
"formula_full": "Nb3 Cr1",
"formula_reduced": "Nb3Cr",
"formula_anonymous": "AB3",
"energy_above_hull": 5.3332514,
"spacegroup": 225
},
{
"id": "jvasp-79101",
"created_at": "2022-09-04T14:36:42.582585Z",
"updated_at": "2022-09-04T14:36:42.582608Z",
"structure_string": "V2 Re1 Mo1\n1.0\n0.000000 3.052243 3.052243\n3.052243 -0.000000 3.052243\n3.052243 3.052243 0.000000\nV Re Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.749997 0.749997 0.749997 Re\n0.249999 0.249999 0.249999 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Re",
"Mo"
],
"chemical_system": "Mo-Re-V",
"density": 11.213132006302315,
"density_atomic": 0.07033519186079178,
"volume": 56.87053513576598,
"volume_molar": 8.56205919210271,
"formula_full": "V2 Re1 Mo1",
"formula_reduced": "V2ReMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.331745574999999,
"spacegroup": 225
},
{
"id": "jvasp-21511",
"created_at": "2022-09-04T14:38:32.737442Z",
"updated_at": "2022-09-04T14:38:32.737475Z",
"structure_string": "Y1 B12\n1.0\n4.593102 -0.000000 2.651829\n1.531034 4.330418 2.651829\n0.000000 -0.000000 5.303658\nY B\n1 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.161997 0.500000 0.500001 B\n0.838002 0.500000 0.500001 B\n0.499999 0.500000 0.838003 B\n0.838002 0.161998 0.500001 B\n0.499999 0.838003 0.161998 B\n0.500000 0.161998 0.838003 B\n0.499999 0.838003 0.500001 B\n0.838002 0.500000 0.161998 B\n0.161997 0.838003 0.500001 B\n0.500000 0.161998 0.500001 B\n0.161997 0.500000 0.838003 B\n0.499999 0.500000 0.161998 B\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Y",
"B"
],
"chemical_system": "B-Y",
"density": 3.4416208560515105,
"density_atomic": 0.12323439339672079,
"volume": 105.49003116483814,
"volume_molar": 4.886737049626477,
"formula_full": "Y1 B12",
"formula_reduced": "YB12",
"formula_anonymous": "AB12",
"energy_above_hull": 5.33156741923077,
"spacegroup": 225
},
{
"id": "jvasp-103779",
"created_at": "2022-09-04T14:37:02.776827Z",
"updated_at": "2022-09-04T14:37:02.776847Z",
"structure_string": "H8 C12 S2\n1.0\n5.493492 0.025744 -0.152941\n-2.755757 5.141659 -0.545276\n0.319020 0.063140 9.040384\nH C S\n8 12 2\ndirect\n0.221617 0.459644 0.421041 H\n0.432132 0.273078 0.910711 H\n0.858760 0.904195 0.948434 H\n0.089403 0.841508 0.703117 H\n0.696389 0.330143 0.039807 H\n0.057289 0.585207 0.202952 H\n0.868653 0.637883 0.445288 H\n0.405693 0.407738 0.179025 H\n0.288425 0.236490 0.235636 C\n0.179857 0.266437 0.371869 C\n0.352197 0.945955 0.027051 C\n0.247080 0.989821 0.171510 C\n0.030172 0.052451 0.450739 C\n0.092615 0.776438 0.251181 C\n0.931892 0.068053 0.599817 C\n0.550618 0.183077 0.953952 C\n0.709975 0.124789 0.834117 C\n0.849821 0.983957 0.846604 C\n0.971212 0.948040 0.714531 C\n0.988089 0.806104 0.386579 C\n0.735425 0.220659 0.657362 S\n0.249304 0.649887 0.943065 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.4006777460596964,
"density_atomic": 0.08578498567315426,
"volume": 256.45513404666485,
"volume_molar": 7.020040526607655,
"formula_full": "H8 C12 S2",
"formula_reduced": "H4C6S",
"formula_anonymous": "AB4C6",
"energy_above_hull": 5.33078090909091,
"spacegroup": 1
},
{
"id": "jvasp-106345",
"created_at": "2022-09-04T14:38:41.274812Z",
"updated_at": "2022-09-04T14:38:41.274853Z",
"structure_string": "Nb2 C1 N1\n1.0\n3.047130 0.001113 4.599303\n1.386166 2.713587 4.599303\n0.001817 0.001113 5.517117\nNb C N\n2 1 1\ndirect\n0.256214 0.256214 0.256213 Nb\n0.743788 0.743785 0.743785 Nb\n0.000000 0.000000 0.000000 C\n0.500001 0.500000 0.499999 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"C",
"N"
],
"chemical_system": "C-N-Nb",
"density": 7.717344812195109,
"density_atomic": 0.08775886638343748,
"volume": 45.57944017329411,
"volume_molar": 6.862145112139398,
"formula_full": "Nb2 C1 N1",
"formula_reduced": "Nb2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.3300105125,
"spacegroup": 166
}
]
}