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=374",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=372",
"results": [
{
"id": "jvasp-103105",
"created_at": "2022-09-04T14:36:32.700870Z",
"updated_at": "2022-09-04T14:36:32.700886Z",
"structure_string": "Dy1 U1 N2\n1.0\n3.305519 0.006959 5.031827\n1.510100 2.940426 5.031827\n0.011371 0.006959 6.020433\nDy U N\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Dy\n0.000000 0.000000 0.000000 U\n0.253675 0.253675 0.253675 N\n0.746325 0.746327 0.746325 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"U",
"N"
],
"chemical_system": "Dy-N-U",
"density": 12.222288071580103,
"density_atomic": 0.06870205110133505,
"volume": 58.2224247439138,
"volume_molar": 8.765590929908896,
"formula_full": "Dy1 U1 N2",
"formula_reduced": "DyUN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.98923975,
"spacegroup": 166
},
{
"id": "jvasp-28905",
"created_at": "2022-09-04T14:37:19.146703Z",
"updated_at": "2022-09-04T14:37:19.146727Z",
"structure_string": "Te2 W4 Se2 S4\n1.0\n3.309145 -0.000000 -0.000000\n-1.654573 2.865801 0.000006\n-0.000000 0.000081 37.689142\nTe W Se S\n2 4 2 4\ndirect\n0.666648 0.333296 0.418610 Te\n0.666645 0.333289 0.520812 Te\n0.333311 0.666623 0.093945 W\n0.333311 0.666622 0.469671 W\n0.666690 0.333381 0.281749 W\n0.666688 0.333378 0.657543 W\n0.333349 0.666701 0.326513 Se\n0.333351 0.666704 0.236934 Se\n0.333353 0.666708 0.698232 S\n0.666647 0.333294 0.053239 S\n0.666646 0.333291 0.134685 S\n0.333356 0.666712 0.616811 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 5.931622232243638,
"density_atomic": 0.03357400632554258,
"volume": 357.41936436315575,
"volume_molar": 17.936914354538764,
"formula_full": "Te2 W4 Se2 S4",
"formula_reduced": "TeW2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.989168522222222,
"spacegroup": 156
},
{
"id": "jvasp-89528",
"created_at": "2022-09-04T14:35:57.087192Z",
"updated_at": "2022-09-04T14:35:57.087209Z",
"structure_string": "Ho4 B16\n1.0\n4.008032 -0.000000 0.000000\n0.000000 7.077616 0.000000\n0.000000 0.000000 7.077616\nHo B\n4 16\ndirect\n0.000000 0.181426 0.318574 Ho\n0.000000 0.818574 0.681427 Ho\n0.000000 0.681427 0.181426 Ho\n0.000000 0.318574 0.818574 Ho\n0.500000 0.323680 0.538629 B\n0.500000 0.461371 0.323680 B\n0.500000 0.823680 0.961372 B\n0.500000 0.912974 0.412974 B\n0.500000 0.038629 0.823680 B\n0.797290 0.000000 0.000000 B\n0.202710 0.500000 0.500000 B\n0.500000 0.676320 0.461371 B\n0.500000 0.176320 0.038629 B\n0.500000 0.587027 0.912974 B\n0.500000 0.538629 0.676320 B\n0.500000 0.087027 0.587027 B\n0.500000 0.412974 0.087027 B\n0.797290 0.500000 0.500000 B\n0.202710 0.000000 0.000000 B\n0.500000 0.961372 0.176320 B\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ho",
"B"
],
"chemical_system": "B-Ho",
"density": 6.88701567001542,
"density_atomic": 0.09961501926724513,
"volume": 200.77293712451544,
"volume_molar": 6.0454144408123085,
"formula_full": "Ho4 B16",
"formula_reduced": "HoB4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.98906918,
"spacegroup": 127
},
{
"id": "jvasp-28823",
"created_at": "2022-09-04T14:38:06.854465Z",
"updated_at": "2022-09-04T14:38:06.854486Z",
"structure_string": "Te2 W4 Se2 S4\n1.0\n3.311797 0.000000 -0.000000\n-1.655898 2.868097 -0.000035\n-0.000002 -0.000442 34.786901\nTe W Se S\n2 4 2 4\ndirect\n0.333330 0.666660 0.715962 Te\n0.333354 0.666710 0.605310 Te\n0.333321 0.666642 0.097330 W\n0.333324 0.666648 0.463653 W\n0.666682 0.333364 0.281281 W\n0.666674 0.333348 0.660667 W\n0.666642 0.333285 0.415173 Se\n0.666670 0.333340 0.512139 Se\n0.333363 0.666730 0.325465 S\n0.666641 0.333281 0.053138 S\n0.666668 0.333335 0.141565 S\n0.333333 0.666667 0.237062 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.416205683420124,
"density_atomic": 0.036316832354923535,
"volume": 330.42529377904674,
"volume_molar": 16.5822302483481,
"formula_full": "Te2 W4 Se2 S4",
"formula_reduced": "TeW2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.988698522222222,
"spacegroup": 156
},
{
"id": "jvasp-28872",
"created_at": "2022-09-04T14:37:56.628569Z",
"updated_at": "2022-09-04T14:37:56.628584Z",
"structure_string": "Te2 W4 Se2 S4\n1.0\n3.311754 0.000001 0.000000\n-1.655877 2.868021 -0.000025\n0.000003 -0.000272 34.211094\nTe W Se S\n2 4 2 4\ndirect\n0.333471 0.666949 0.717642 Te\n0.333231 0.666466 0.604975 Te\n0.333269 0.666542 0.095921 W\n0.333375 0.666753 0.463040 W\n0.666671 0.333343 0.282602 W\n0.666677 0.333357 0.661382 W\n0.666543 0.333087 0.046639 Se\n0.666647 0.333296 0.145260 Se\n0.333388 0.666781 0.327487 S\n0.666889 0.333779 0.418160 S\n0.666488 0.332977 0.507947 S\n0.333333 0.666670 0.237696 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.5244533158738225,
"density_atomic": 0.03692953265080041,
"volume": 324.94318608009553,
"volume_molar": 16.307113379810065,
"formula_full": "Te2 W4 Se2 S4",
"formula_reduced": "TeW2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.988400188888889,
"spacegroup": 156
},
{
"id": "jvasp-99665",
"created_at": "2022-09-04T14:36:32.842397Z",
"updated_at": "2022-09-04T14:36:32.842418Z",
"structure_string": "In2 C2 N4\n1.0\n3.700314 0.000000 0.000000\n-1.850157 3.204580 0.000000\n-0.000000 -0.000000 9.934946\nIn C N\n2 2 4\ndirect\n0.000000 0.000013 0.000000 In\n0.000000 0.000013 0.500000 In\n0.666665 0.333355 0.250000 C\n0.333333 0.666676 0.750000 C\n0.666665 0.333353 0.125177 N\n0.333333 0.666677 0.874824 N\n0.333333 0.666677 0.625177 N\n0.666665 0.333353 0.374824 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"C",
"N"
],
"chemical_system": "C-In-N",
"density": 4.365087343316702,
"density_atomic": 0.06790703670444127,
"volume": 117.80811515630135,
"volume_molar": 8.8682131517692,
"formula_full": "In2 C2 N4",
"formula_reduced": "InCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9882816175,
"spacegroup": 194
},
{
"id": "jvasp-103643",
"created_at": "2022-09-04T14:36:51.645541Z",
"updated_at": "2022-09-04T14:36:51.645565Z",
"structure_string": "Sm2 Mn4 Si2 C2\n1.0\n5.633934 0.010103 0.000000\n-4.359719 3.568496 0.000000\n0.000000 0.000000 7.001528\nSm Mn Si C\n2 4 2 2\ndirect\n0.546126 0.453874 0.250000 Sm\n0.453874 0.546126 0.750000 Sm\n0.831780 0.168218 0.063267 Mn\n0.168219 0.831782 0.936734 Mn\n0.168219 0.831782 0.563267 Mn\n0.831780 0.168218 0.436734 Mn\n0.266835 0.733166 0.250000 Si\n0.733164 0.266834 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sm",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Mn-Si-Sm",
"density": 7.0703496217699655,
"density_atomic": 0.07088588552936777,
"volume": 141.07180753010465,
"volume_molar": 8.495542822139182,
"formula_full": "Sm2 Mn4 Si2 C2",
"formula_reduced": "SmMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.987776391551724,
"spacegroup": 63
},
{
"id": "jvasp-68058",
"created_at": "2022-09-04T14:36:19.284426Z",
"updated_at": "2022-09-04T14:36:19.284463Z",
"structure_string": "Be1 V2 Tc1\n1.0\n-1.764885 1.764885 4.058291\n1.764885 -1.764885 4.058291\n1.764885 1.764885 -4.058291\nBe V Tc\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.750001 0.500001 V\n0.750001 0.250000 0.500001 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Tc"
],
"chemical_system": "Be-Tc-V",
"density": 6.8602749295782,
"density_atomic": 0.07910865324312955,
"volume": 50.56336868365779,
"volume_molar": 7.612493087819079,
"formula_full": "Be1 V2 Tc1",
"formula_reduced": "BeV2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9869815,
"spacegroup": 119
},
{
"id": "jvasp-116956",
"created_at": "2022-09-04T14:38:48.346018Z",
"updated_at": "2022-09-04T14:38:48.346038Z",
"structure_string": "Nd2 Fe15 Co2 H3\n1.0\n6.328654 0.010050 0.693674\n0.622885 6.297934 0.693674\n0.011075 0.010050 6.366547\nNd Fe Co H\n2 15 2 3\ndirect\n0.654788 0.654789 0.654789 Nd\n0.345210 0.345210 0.345210 Nd\n0.662457 0.149932 0.662458 Fe\n0.149931 0.662458 0.662458 Fe\n0.662457 0.662458 0.149931 Fe\n0.337541 0.850067 0.337541 Fe\n0.850067 0.337542 0.337541 Fe\n0.337541 0.337542 0.850068 Fe\n0.717186 0.000000 0.282813 Fe\n0.282813 0.717186 -0.000001 Fe\n0.282813 0.000000 0.717187 Fe\n-0.000001 0.717186 0.282813 Fe\n0.717186 0.282813 -0.000001 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n-0.000001 0.282813 0.717187 Fe\n0.905266 0.905268 0.905268 Co\n0.094731 0.094732 0.094732 Co\n-0.000001 0.500000 0.500000 H\n0.499999 0.500000 -0.000001 H\n0.499999 0.000000 0.500000 H\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Nd",
"Fe",
"Co",
"H"
],
"chemical_system": "Co-Fe-H-Nd",
"density": 8.16466368545302,
"density_atomic": 0.08674177242409728,
"volume": 253.6263600014737,
"volume_molar": 6.942607456251402,
"formula_full": "Nd2 Fe15 Co2 H3",
"formula_reduced": "Nd2Fe15Co2H3",
"formula_anonymous": "A2B2C3D15",
"energy_above_hull": 3.98694715,
"spacegroup": 166
},
{
"id": "jvasp-102131",
"created_at": "2022-09-04T14:36:42.024473Z",
"updated_at": "2022-09-04T14:36:42.024495Z",
"structure_string": "Ti2 Ir1 Ru1\n1.0\n3.789493 0.000000 2.187865\n1.263164 3.572768 2.187865\n0.000000 0.000000 4.375730\nTi Ir Ru\n2 1 1\ndirect\n0.249999 0.250000 0.250000 Ti\n0.749998 0.750000 0.749999 Ti\n0.499999 0.500000 0.499999 Ir\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru-Ti",
"density": 10.903996459642302,
"density_atomic": 0.06751861883980573,
"volume": 59.242918008888424,
"volume_molar": 8.919229782066626,
"formula_full": "Ti2 Ir1 Ru1",
"formula_reduced": "Ti2IrRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.986769566666667,
"spacegroup": 225
},
{
"id": "jvasp-30683",
"created_at": "2022-09-04T14:38:34.897556Z",
"updated_at": "2022-09-04T14:38:34.897566Z",
"structure_string": "Nb4 W2 O16\n1.0\n5.094901 0.006746 -0.006471\n-0.010177 5.662844 -1.739365\n0.030234 0.010171 10.079430\nNb W O\n4 2 16\ndirect\n0.757893 0.324702 0.276887 Nb\n0.742966 0.048183 0.721496 Nb\n0.242906 0.676322 0.721487 Nb\n0.257835 0.952842 0.276882 Nb\n0.750401 0.670207 0.999180 W\n0.250398 0.330822 0.999196 W\n0.883237 0.590269 0.381882 O\n0.617479 0.208957 0.616418 O\n0.117563 0.410757 0.616489 O\n0.383319 0.792068 0.381960 O\n0.077632 0.923532 0.655061 O\n0.423104 0.266235 0.343189 O\n0.070301 0.665456 0.106197 O\n0.570281 0.442119 0.106191 O\n0.930498 0.335574 0.892179 O\n0.923170 0.077495 0.343317 O\n0.585224 0.916225 0.119634 O\n0.915645 0.796324 0.878758 O\n0.415576 0.084805 0.878742 O\n0.085152 0.204703 0.119616 O\n0.430516 0.558911 0.892186 O\n0.577697 0.734791 0.655188 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"W",
"O"
],
"chemical_system": "Nb-O-W",
"density": 5.6814377937599625,
"density_atomic": 0.07562747757979985,
"volume": 290.8995606363608,
"volume_molar": 7.962900459883272,
"formula_full": "Nb4 W2 O16",
"formula_reduced": "Nb2WO8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.986758799999999,
"spacegroup": 15
},
{
"id": "jvasp-54855",
"created_at": "2022-09-04T14:37:53.458353Z",
"updated_at": "2022-09-04T14:37:53.458369Z",
"structure_string": "Ce1 Si2 Ir3\n1.0\n2.796102 -4.842992 -0.000000\n2.796102 4.842992 0.000000\n0.000000 -0.000000 3.728896\nCe Si Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.666666 0.333333 0.000000 Si\n0.333333 0.666666 0.000000 Si\n0.500000 0.500000 0.500000 Ir\n-0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Ir"
],
"chemical_system": "Ce-Ir-Si",
"density": 12.70915651554987,
"density_atomic": 0.05941200678757812,
"volume": 100.9896875130379,
"volume_molar": 10.13623522519881,
"formula_full": "Ce1 Si2 Ir3",
"formula_reduced": "CeSi2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.986376,
"spacegroup": 191
}
]
}