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=4536",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4534",
"results": [
{
"id": "jvasp-71846",
"created_at": "2022-09-04T14:36:04.473549Z",
"updated_at": "2022-09-04T14:36:04.473577Z",
"structure_string": "Be1 Re1 Mo2\n1.0\n-1.819759 1.819759 4.299141\n1.819759 -1.819759 4.299141\n1.819759 1.819759 -4.299141\nBe Re Mo\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.000000 Mo\n0.250000 0.750000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Re",
"Mo"
],
"chemical_system": "Be-Mo-Re",
"density": 11.28760800336973,
"density_atomic": 0.07024097949500288,
"volume": 56.94681407859026,
"volume_molar": 8.573543255370506,
"formula_full": "Be1 Re1 Mo2",
"formula_reduced": "BeReMo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.231986474999999,
"spacegroup": 119
},
{
"id": "jvasp-12422",
"created_at": "2022-09-04T14:37:12.423957Z",
"updated_at": "2022-09-04T14:37:12.423987Z",
"structure_string": "Nb8 Fe2 Si2\n1.0\n6.196380 0.000000 -0.000000\n-0.000000 6.196380 0.000000\n-0.000000 -0.000000 5.105457\nNb Fe Si\n8 2 2\ndirect\n0.151541 0.331377 0.000000 Nb\n0.331377 0.848459 0.000000 Nb\n0.848459 0.668623 0.000000 Nb\n0.668623 0.848459 0.500000 Nb\n0.151541 0.668623 0.500000 Nb\n0.848459 0.331377 0.500000 Nb\n0.668623 0.151541 0.000000 Nb\n0.331377 0.151541 0.500000 Nb\n0.000000 0.000000 0.750000 Fe\n0.000000 0.000000 0.250000 Fe\n0.500000 0.500000 0.750000 Si\n0.500000 0.500000 0.250000 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"Si"
],
"chemical_system": "Fe-Nb-Si",
"density": 7.718095951261537,
"density_atomic": 0.06121678765269578,
"volume": 196.02466023013477,
"volume_molar": 9.837400802808713,
"formula_full": "Nb8 Fe2 Si2",
"formula_reduced": "Nb4FeSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.23235695,
"spacegroup": 124
},
{
"id": "jvasp-54961",
"created_at": "2022-09-04T14:38:33.153393Z",
"updated_at": "2022-09-04T14:38:33.153418Z",
"structure_string": "Zr4 Al6 C10\n1.0\n1.626472 -2.817133 -0.000000\n1.626472 2.817133 -0.000000\n-0.000000 0.000000 24.558801\nZr Al C\n4 6 10\ndirect\n0.666666 0.333332 0.056492 Zr\n0.333332 0.666666 0.556492 Zr\n0.666666 0.333332 0.443508 Zr\n0.333332 0.666666 0.943508 Zr\n0.000000 0.000000 0.346351 Al\n0.666666 0.333332 0.750000 Al\n0.000000 0.000000 0.153649 Al\n0.000000 0.000000 0.846351 Al\n0.000000 0.000000 0.653649 Al\n0.333332 0.666666 0.250000 Al\n0.666666 0.333332 0.613593 C\n0.666666 0.333332 0.216916 C\n0.666666 0.333332 0.283084 C\n0.333332 0.666666 0.716916 C\n0.333332 0.666666 0.113593 C\n0.333332 0.666666 0.783084 C\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.333332 0.666666 0.386407 C\n0.666666 0.333332 0.886407 C\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"Al",
"C"
],
"chemical_system": "Al-C-Zr",
"density": 4.772983525563255,
"density_atomic": 0.08886666817730307,
"volume": 225.05626024030556,
"volume_molar": 6.776602390431558,
"formula_full": "Zr4 Al6 C10",
"formula_reduced": "Zr2Al3C5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 5.23338174,
"spacegroup": 194
},
{
"id": "jvasp-16115",
"created_at": "2022-09-04T14:35:56.102632Z",
"updated_at": "2022-09-04T14:35:56.102649Z",
"structure_string": "Sc3 Ru1 C4\n1.0\n3.217553 -0.000000 -0.809623\n-0.374333 4.231836 -1.487650\n0.002576 -0.000270 6.808539\nSc Ru C\n3 1 4\ndirect\n0.810730 0.810730 0.621457 Sc\n0.189272 0.189271 0.378544 Sc\n0.000001 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Ru\n0.629541 0.787405 0.259080 C\n0.370460 0.212596 0.740921 C\n0.370461 0.528324 0.740921 C\n0.629541 0.471677 0.259080 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Ru",
"C"
],
"chemical_system": "C-Ru-Sc",
"density": 5.086210117729201,
"density_atomic": 0.08628724688226225,
"volume": 92.7135850204595,
"volume_molar": 6.979178241967933,
"formula_full": "Sc3 Ru1 C4",
"formula_reduced": "Sc3RuC4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 5.23389578125,
"spacegroup": 71
},
{
"id": "jvasp-120053",
"created_at": "2022-09-04T14:38:52.519190Z",
"updated_at": "2022-09-04T14:38:52.519219Z",
"structure_string": "Os1 C1 N1\n1.0\n2.802240 0.000000 0.000000\n-1.401120 2.426811 -0.000000\n-0.000000 0.000000 5.094911\nOs C N\n1 1 1\ndirect\n0.000000 0.000000 0.016457 Os\n0.000000 0.000000 0.398197 C\n0.000000 0.000000 0.631346 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Os",
"C",
"N"
],
"chemical_system": "C-N-Os",
"density": 10.36387359028286,
"density_atomic": 0.08658514127952306,
"volume": 34.64797718947055,
"volume_molar": 6.955166522808695,
"formula_full": "Os1 C1 N1",
"formula_reduced": "OsCN",
"formula_anonymous": "ABC",
"energy_above_hull": 5.2341860833333325,
"spacegroup": 183
},
{
"id": "jvasp-102805",
"created_at": "2022-09-04T14:37:08.097431Z",
"updated_at": "2022-09-04T14:37:08.097457Z",
"structure_string": "B4 Mo1 Ir1\n1.0\n2.958798 0.000000 0.000000\n-1.479400 2.562394 0.000000\n-0.000000 -0.000000 7.513638\nB Mo Ir\n4 1 1\ndirect\n0.333333 0.666666 0.204995 B\n0.000000 0.000000 0.293607 B\n0.000000 0.000000 0.706394 B\n0.333333 0.666666 0.795005 B\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666666 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"Mo",
"Ir"
],
"chemical_system": "B-Ir-Mo",
"density": 9.66031792589191,
"density_atomic": 0.10532701052110882,
"volume": 56.96544476402401,
"volume_molar": 5.7175654470826265,
"formula_full": "B4 Mo1 Ir1",
"formula_reduced": "B4MoIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.235594555555556,
"spacegroup": 187
},
{
"id": "jvasp-98097",
"created_at": "2022-09-04T14:35:52.306447Z",
"updated_at": "2022-09-04T14:35:52.306479Z",
"structure_string": "Zr6 Al6 C10\n1.0\n3.353611 -0.000000 0.000000\n-1.676806 2.904313 -0.000000\n0.000000 -0.000000 27.728306\nZr Al C\n6 6 10\ndirect\n0.333332 0.666666 0.904508 Zr\n0.666666 0.333333 0.095062 Zr\n0.000000 0.000000 0.999784 Zr\n0.333332 0.666666 0.595062 Zr\n0.000000 0.000000 0.499784 Zr\n0.666666 0.333333 0.404508 Zr\n0.000000 0.000000 0.749787 Al\n0.333332 0.666666 0.322822 Al\n0.666666 0.333333 0.676754 Al\n0.666666 0.333333 0.822822 Al\n0.000000 0.000000 0.249787 Al\n0.333332 0.666666 0.176754 Al\n0.333332 0.666666 0.249788 C\n0.666666 0.333333 0.949821 C\n0.666666 0.333333 0.549747 C\n0.000000 0.000000 0.347683 C\n0.000000 0.000000 0.651894 C\n0.666666 0.333333 0.749789 C\n0.333332 0.666666 0.049747 C\n0.333332 0.666666 0.449821 C\n0.000000 0.000000 0.151894 C\n0.000000 0.000000 0.847683 C\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zr",
"Al",
"C"
],
"chemical_system": "Al-C-Zr",
"density": 5.099204022864857,
"density_atomic": 0.0814597810481735,
"volume": 270.07192650063337,
"volume_molar": 7.392777985050857,
"formula_full": "Zr6 Al6 C10",
"formula_reduced": "Zr3Al3C5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 5.2359929,
"spacegroup": 194
},
{
"id": "jvasp-77442",
"created_at": "2022-09-04T14:38:12.414562Z",
"updated_at": "2022-09-04T14:38:12.414580Z",
"structure_string": "Mn1 V1 Os2\n1.0\n-9.615171 0.001703 -5.552711\n-6.004016 0.016127 -0.703346\n-5.214018 2.252368 -2.073123\nMn V Os\n1 1 2\ndirect\n0.500000 0.000000 -0.000001 Mn\n0.000000 0.000000 0.000000 V\n0.704889 -0.000092 0.000091 Os\n0.295111 0.000092 -0.000093 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"V",
"Os"
],
"chemical_system": "Mn-Os-V",
"density": 13.527847265844919,
"density_atomic": 0.0670038875352835,
"volume": 59.69802868368861,
"volume_molar": 8.98774829569226,
"formula_full": "Mn1 V1 Os2",
"formula_reduced": "MnVOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.237717860344828,
"spacegroup": 71
},
{
"id": "jvasp-75531",
"created_at": "2022-09-04T14:36:04.483743Z",
"updated_at": "2022-09-04T14:36:04.483773Z",
"structure_string": "Ta1 As1 W1\n1.0\n-0.000000 3.104149 3.104149\n3.104149 -0.000000 3.104149\n3.104149 3.104149 0.000000\nTa As W\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"As",
"W"
],
"chemical_system": "As-Ta-W",
"density": 12.20554715061618,
"density_atomic": 0.05014915053859799,
"volume": 59.821551666982046,
"volume_molar": 12.008460154005949,
"formula_full": "Ta1 As1 W1",
"formula_reduced": "TaAsW",
"formula_anonymous": "ABC",
"energy_above_hull": 5.238060316666667,
"spacegroup": 216
},
{
"id": "jvasp-116963",
"created_at": "2022-09-04T14:38:47.717465Z",
"updated_at": "2022-09-04T14:38:47.717488Z",
"structure_string": "Ca1 Mn28\n1.0\n7.054808 -0.000000 -2.494251\n-3.527404 6.109643 -2.494251\n-0.000000 -0.000000 7.482754\nCa Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Ca\n0.621422 0.621421 0.821240 Mn\n0.199819 0.000000 0.378579 Mn\n0.000000 0.199819 0.378579 Mn\n0.800181 0.800180 0.178760 Mn\n0.800181 0.178759 0.800181 Mn\n0.000000 0.378579 0.199819 Mn\n0.199819 0.378579 0.000000 Mn\n0.378579 0.000000 0.199819 Mn\n0.178760 0.800180 0.800181 Mn\n0.378579 0.199819 0.000000 Mn\n0.605849 0.287517 0.605848 Mn\n0.287518 0.605848 0.605848 Mn\n0.821241 0.621421 0.621421 Mn\n0.605849 0.605848 0.287518 Mn\n0.000000 0.681669 0.394151 Mn\n0.318331 0.318331 0.712482 Mn\n0.318331 0.712482 0.318331 Mn\n0.000000 0.394151 0.681669 Mn\n0.681669 0.394151 0.000000 Mn\n0.394152 0.000000 0.681669 Mn\n0.712483 0.318331 0.318331 Mn\n0.394152 0.681669 0.000000 Mn\n0.378004 0.378003 0.378003 Mn\n0.000000 0.000000 0.621996 Mn\n0.000000 0.621996 0.000000 Mn\n0.621997 0.000000 0.000000 Mn\n0.681669 0.000000 0.394151 Mn\n0.621422 0.821240 0.621421 Mn\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Ca",
"Mn"
],
"chemical_system": "Ca-Mn",
"density": 8.126210290296271,
"density_atomic": 0.08991569328731767,
"volume": 322.52434408010464,
"volume_molar": 6.697541374403665,
"formula_full": "Ca1 Mn28",
"formula_reduced": "CaMn28",
"formula_anonymous": "AB28",
"energy_above_hull": 5.241543213055886,
"spacegroup": 217
},
{
"id": "jvasp-15886",
"created_at": "2022-09-04T14:37:45.966093Z",
"updated_at": "2022-09-04T14:37:45.966115Z",
"structure_string": "U1 B2 Ir3\n1.0\n2.734348 -4.736029 -0.000000\n2.734348 4.736029 -0.000000\n-0.000000 -0.000000 3.174784\nU B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.000000 0.499999 Ir\n0.500000 0.500000 0.499999 Ir\n0.000000 0.500000 0.499999 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"B",
"Ir"
],
"chemical_system": "B-Ir-U",
"density": 16.88884182155746,
"density_atomic": 0.07296909037881419,
"volume": 82.22659716396899,
"volume_molar": 8.2530023722873,
"formula_full": "U1 B2 Ir3",
"formula_reduced": "UB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.243820744444444,
"spacegroup": 191
},
{
"id": "jvasp-104147",
"created_at": "2022-09-04T14:37:12.679159Z",
"updated_at": "2022-09-04T14:37:12.679180Z",
"structure_string": "H16 C16 O2\n1.0\n5.576192 -0.047878 -0.618766\n-2.572031 5.424315 -0.081062\n-0.089415 -0.178761 9.539638\nH C O\n16 16 2\ndirect\n0.270957 0.715372 0.012764 H\n0.045523 0.370244 0.328187 H\n0.045524 0.370246 0.828189 H\n0.859892 0.454647 0.639281 H\n0.859892 0.454643 0.139280 H\n0.638130 0.107890 0.949543 H\n0.614894 0.931365 0.714219 H\n0.614897 0.931362 0.214221 H\n0.638132 0.107893 0.449544 H\n0.048829 0.909443 0.072610 H\n0.034423 0.178714 0.140604 H\n0.034423 0.178717 0.640605 H\n0.758291 0.756100 0.805870 H\n0.758294 0.756096 0.305870 H\n0.270955 0.715372 0.512762 H\n0.048827 0.909446 0.572609 H\n0.330122 0.216776 0.375241 C\n0.225759 0.387208 0.393895 C\n0.225760 0.387208 0.893896 C\n0.352891 0.582297 0.500860 C\n0.352891 0.582296 0.000861 C\n0.731119 0.826143 0.702425 C\n0.731121 0.826140 0.202426 C\n0.330121 0.216775 0.875241 C\n0.011792 0.994053 0.165640 C\n0.580620 0.610169 0.091252 C\n0.559387 0.242358 0.464988 C\n0.559386 0.242357 0.964988 C\n0.680362 0.435426 0.571021 C\n0.680360 0.435423 0.071021 C\n0.011790 0.994055 0.665640 C\n0.580619 0.610172 0.591251 C\n0.225637 0.018024 0.774930 O\n0.225639 0.018024 0.274930 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3917526102501456,
"density_atomic": 0.11858873677648589,
"volume": 286.7051367962764,
"volume_molar": 5.078172618830095,
"formula_full": "H16 C16 O2",
"formula_reduced": "H8C8O",
"formula_anonymous": "AB8C8",
"energy_above_hull": 5.244206676470587,
"spacegroup": 1
}
]
}