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=updated_at&page=560",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=558",
"results": [
{
"id": "jvasp-68158",
"created_at": "2022-09-04T14:35:59.207071Z",
"updated_at": "2022-09-04T14:35:59.207102Z",
"structure_string": "Be1 Zn2 Ge1\n1.0\n-1.946079 1.946079 3.868657\n1.946079 -1.946079 3.868657\n1.946079 1.946079 -3.868657\nBe Zn Ge\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Ge"
],
"chemical_system": "Be-Ge-Zn",
"density": 6.020130937553124,
"density_atomic": 0.06825254361970531,
"volume": 58.60587441674705,
"volume_molar": 8.823320627513342,
"formula_full": "Be1 Zn2 Ge1",
"formula_reduced": "BeZn2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0153525,
"spacegroup": 119
},
{
"id": "jvasp-48314",
"created_at": "2022-09-04T14:35:59.217438Z",
"updated_at": "2022-09-04T14:35:59.217459Z",
"structure_string": "Li12 Mn2 O4 F8\n1.0\n5.424453 0.069223 -0.021592\n-0.868797 5.356456 -0.033179\n-2.319880 -2.721562 10.296374\nLi Mn O F\n12 2 4 8\ndirect\n0.983368 0.687269 0.187590 Li\n0.035961 0.590874 0.664803 Li\n0.326551 0.633657 0.012246 Li\n0.367630 0.674476 0.486738 Li\n0.689088 0.980624 0.688075 Li\n0.592934 0.033617 0.165823 Li\n0.407065 0.966383 0.834177 Li\n0.310910 0.019376 0.311924 Li\n0.632368 0.325524 0.513261 Li\n0.673448 0.366343 0.987754 Li\n0.964038 0.409126 0.335197 Li\n0.016631 0.312732 0.812410 Li\n-0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.108679 0.767752 0.371096 O\n0.233605 0.891000 0.128516 O\n0.766393 0.109000 0.871484 O\n0.891319 0.232249 0.628903 O\n0.158709 0.684483 0.849338 F\n0.316934 0.840248 0.649872 F\n0.315654 0.271558 0.935140 F\n0.270218 0.317006 0.435551 F\n0.729780 0.682994 0.564449 F\n0.684344 0.728443 0.064859 F\n0.683064 0.159753 0.350128 F\n0.841289 0.315517 0.150661 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.27240136877777,
"density_atomic": 0.08696082323086939,
"volume": 298.98521005227224,
"volume_molar": 6.925119308049809,
"formula_full": "Li12 Mn2 O4 F8",
"formula_reduced": "Li6Mn(OF2)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.001675028567639,
"spacegroup": 15
},
{
"id": "jvasp-88679",
"created_at": "2022-09-04T14:35:59.218080Z",
"updated_at": "2022-09-04T14:35:59.218112Z",
"structure_string": "Au4 Cl8\n1.0\n6.443764 0.130723 2.071744\n0.581389 6.674062 0.320643\n0.035978 0.118373 7.107896\nAu Cl\n4 8\ndirect\n0.735962 0.516637 0.468667 Au\n0.264038 0.483361 0.531332 Au\n0.638002 0.234164 0.088519 Au\n0.361998 0.765835 0.911480 Au\n0.851619 0.219356 0.298989 Cl\n0.148381 0.780643 0.701010 Cl\n0.343142 0.181190 0.371985 Cl\n0.656858 0.818808 0.628014 Cl\n0.427020 0.258417 0.885503 Cl\n0.572980 0.741582 0.114496 Cl\n0.925031 0.287692 0.817321 Cl\n0.074968 0.712307 0.182679 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Au",
"Cl"
],
"chemical_system": "Au-Cl",
"density": 5.842334905862254,
"density_atomic": 0.03940309750303973,
"volume": 304.54458558935033,
"volume_molar": 15.283419684291127,
"formula_full": "Au4 Cl8",
"formula_reduced": "AuCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.104755235,
"spacegroup": 2
},
{
"id": "jvasp-90577",
"created_at": "2022-09-04T14:35:59.218775Z",
"updated_at": "2022-09-04T14:35:59.218795Z",
"structure_string": "Mg2 Sb6\n1.0\n3.283238 0.000000 0.000000\n0.000000 10.551991 0.000000\n0.000000 0.000000 6.336156\nMg Sb\n2 6\ndirect\n0.000000 0.000000 0.265482 Mg\n0.500000 0.500000 0.765482 Mg\n0.500000 0.000000 0.853902 Sb\n0.000000 0.307854 0.023642 Sb\n0.500000 0.192146 0.523642 Sb\n0.000000 0.500000 0.353902 Sb\n0.500000 0.807854 0.523642 Sb\n0.000000 0.692146 0.023642 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 5.894116032397757,
"density_atomic": 0.036444109927372355,
"volume": 219.51421000383328,
"volume_molar": 16.52431839329105,
"formula_full": "Mg2 Sb6",
"formula_reduced": "MgSb3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.174239357142857,
"spacegroup": 44
},
{
"id": "jvasp-4624",
"created_at": "2022-09-04T14:35:59.227751Z",
"updated_at": "2022-09-04T14:35:59.227783Z",
"structure_string": "Ba1 Cu2 As2\n1.0\n3.971506 -0.000000 -1.604073\n-0.647877 3.918306 -1.604073\n0.305957 0.360701 6.476061\nBa Cu As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750001 0.250000 0.500001 Cu\n0.250000 0.750001 0.500001 Cu\n0.638205 0.638206 0.276411 As\n0.361796 0.361795 0.723590 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"As"
],
"chemical_system": "As-Ba-Cu",
"density": 6.528195551702931,
"density_atomic": 0.047450277305951256,
"volume": 105.37346215620315,
"volume_molar": 12.691476429463767,
"formula_full": "Ba1 Cu2 As2",
"formula_reduced": "Ba(CuAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.646706074,
"spacegroup": 139
},
{
"id": "jvasp-92885",
"created_at": "2022-09-04T14:35:59.229717Z",
"updated_at": "2022-09-04T14:35:59.229735Z",
"structure_string": "Hf1 Mg6 Cr1\n1.0\n6.368940 -0.177868 0.000000\n-3.338509 5.426730 0.000000\n0.000000 0.000000 4.804374\nHf Mg Cr\n1 6 1\ndirect\n0.299571 0.200429 0.749999 Hf\n0.179469 0.834802 0.250000 Mg\n0.665198 0.320530 0.250000 Mg\n0.674900 0.825099 0.250000 Mg\n0.315522 0.670730 0.749999 Mg\n0.829270 0.184477 0.749999 Mg\n0.830536 0.669463 0.749999 Mg\n0.205531 0.294469 0.250000 Cr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Cr"
],
"chemical_system": "Cr-Hf-Mg",
"density": 3.8290065826277795,
"density_atomic": 0.04902010117455978,
"volume": 163.19835757809088,
"volume_molar": 12.28504351420095,
"formula_full": "Hf1 Mg6 Cr1",
"formula_reduced": "HfMg6Cr",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.7851718375,
"spacegroup": 38
},
{
"id": "jvasp-87310",
"created_at": "2022-09-04T14:35:59.230077Z",
"updated_at": "2022-09-04T14:35:59.230097Z",
"structure_string": "Ca4 B10 H4 Cl2 O20\n1.0\n11.470728 0.000000 -0.000103\n0.003282 5.680419 3.166268\n0.003282 -5.680419 3.166268\nCa B H Cl O\n4 10 4 2 20\ndirect\n0.502188 0.756530 0.253390 Ca\n0.002187 0.253390 0.756530 Ca\n0.777006 0.370836 0.321318 Ca\n0.277006 0.321317 0.370836 Ca\n0.061599 0.803268 0.291809 B\n0.561599 0.291809 0.803268 B\n0.336950 0.251090 0.779289 B\n0.836950 0.779290 0.251090 B\n0.225500 0.639353 0.013688 B\n0.725500 0.013688 0.639353 B\n0.271901 0.922328 0.854014 B\n0.771901 0.854014 0.922329 B\n0.264457 0.852308 0.450232 B\n0.764457 0.450233 0.852309 B\n0.512538 0.715088 0.783604 H\n0.012538 0.783603 0.715087 H\n0.543083 -0.009537 -0.046901 H\n0.043083 -0.046902 -0.009537 H\n0.026911 0.393296 0.411543 Cl\n0.526911 0.411543 0.393296 Cl\n0.502587 0.856262 0.949722 O\n0.095912 0.627945 0.061091 O\n0.595912 0.061091 0.627946 O\n0.240856 0.876056 0.028311 O\n0.740856 0.028311 0.876057 O\n0.254829 0.427885 0.784190 O\n0.754829 0.784190 0.427885 O\n0.450298 0.368431 0.872204 O\n0.950298 0.872204 0.368431 O\n0.292833 0.161915 0.935813 O\n0.293239 0.654538 0.212072 O\n0.793238 0.212072 0.654538 O\n0.143723 0.941850 0.466893 O\n0.643723 0.466893 0.941850 O\n0.347709 0.051643 0.524487 O\n0.847709 0.524487 0.051644 O\n0.274592 0.752322 0.611203 O\n0.774592 0.611203 0.752322 O\n0.792833 0.935813 0.161915 O\n0.002587 0.949722 0.856262 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"B",
"H",
"Cl",
"O"
],
"chemical_system": "B-Ca-Cl-H-O",
"density": 2.669570164343686,
"density_atomic": 0.0969417748779597,
"volume": 412.6188121721118,
"volume_molar": 6.212121417811147,
"formula_full": "Ca4 B10 H4 Cl2 O20",
"formula_reduced": "Ca2B5H2ClO10",
"formula_anonymous": "AB2C2D5E10",
"energy_above_hull": 3.088476641208334,
"spacegroup": 9
},
{
"id": "jvasp-61613",
"created_at": "2022-09-04T14:35:59.232263Z",
"updated_at": "2022-09-04T14:35:59.232285Z",
"structure_string": "Sr10 Sn4 As12\n1.0\n4.295550 0.000000 0.000000\n0.000000 12.558507 -0.000000\n0.000000 0.000000 14.119599\nSr Sn As\n10 4 12\ndirect\n0.000000 0.121598 0.755709 Sr\n0.000000 0.878402 0.244291 Sr\n0.000000 0.378402 0.255709 Sr\n0.000000 0.621598 0.744291 Sr\n0.000000 0.368003 0.931403 Sr\n0.000000 0.631998 0.068597 Sr\n0.000000 0.131997 0.431403 Sr\n0.000000 0.868003 0.568597 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.787193 0.894883 Sn\n0.500000 0.212807 0.105117 Sn\n0.500000 0.287193 0.605117 Sn\n0.500000 0.712807 0.394883 Sn\n0.000000 0.129264 0.198197 As\n0.500000 0.075660 0.599157 As\n0.500000 0.924340 0.400843 As\n0.500000 0.424340 0.099157 As\n0.500000 0.575660 0.900843 As\n0.500000 0.168564 0.920135 As\n0.500000 0.831436 0.079865 As\n0.500000 0.331436 0.420135 As\n0.500000 0.668565 0.579865 As\n0.000000 0.370736 0.698197 As\n0.000000 0.629264 0.301803 As\n0.000000 0.870736 0.801803 As\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"As"
],
"chemical_system": "As-Sn-Sr",
"density": 4.9053681770994695,
"density_atomic": 0.03413455099937299,
"volume": 761.6915775595697,
"volume_molar": 17.642361137577637,
"formula_full": "Sr10 Sn4 As12",
"formula_reduced": "Sr5(SnAs3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.0518919576923074,
"spacegroup": 55
},
{
"id": "jvasp-87243",
"created_at": "2022-09-04T14:35:59.234541Z",
"updated_at": "2022-09-04T14:35:59.234560Z",
"structure_string": "Sr10 B6 Br2 O18\n1.0\n7.578758 0.000000 0.000000\n0.000000 8.217208 -2.901227\n-0.000000 0.033918 8.714269\nSr B Br O\n10 6 2 18\ndirect\n0.500000 0.757410 0.757409 Sr\n0.571114 0.266508 0.006657 Sr\n0.750000 0.363055 0.636945 Sr\n0.750000 0.635891 0.364109 Sr\n0.071114 0.733492 0.993343 Sr\n0.000000 0.242591 0.242590 Sr\n0.928886 0.993343 0.733492 Sr\n0.250000 0.636945 0.363055 Sr\n0.250000 0.364110 0.635891 Sr\n0.428886 0.006657 0.266508 Sr\n0.500000 0.372059 0.372059 B\n0.000000 0.627942 0.627941 B\n0.472277 0.593395 0.016180 B\n0.527724 0.016181 0.593395 B\n0.972277 0.406606 0.983820 B\n0.027723 0.983820 0.406605 B\n0.750000 0.938279 0.061721 Br\n0.250000 0.061722 0.938279 Br\n0.838990 0.694348 0.691486 O\n0.013425 0.516504 0.138191 O\n0.384490 0.735972 0.029409 O\n0.338990 0.305653 0.308514 O\n0.884490 0.264028 0.970591 O\n0.661011 0.308514 0.305652 O\n0.014026 0.442687 0.844475 O\n0.115511 0.970591 0.264028 O\n0.500000 0.510578 0.510578 O\n0.514026 0.557314 0.155524 O\n0.485974 0.155525 0.557314 O\n0.513425 0.483496 0.861809 O\n0.486575 0.861810 0.483496 O\n0.986576 0.138191 0.516504 O\n0.161011 0.691486 0.694348 O\n0.000000 0.489423 0.489422 O\n0.985974 0.844476 0.442686 O\n0.615511 0.029410 0.735972 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"B",
"Br",
"O"
],
"chemical_system": "B-Br-O-Sr",
"density": 4.243838801148533,
"density_atomic": 0.06624495535309238,
"volume": 543.4376068051721,
"volume_molar": 9.090716006828558,
"formula_full": "Sr10 B6 Br2 O18",
"formula_reduced": "Sr5B3BrO9",
"formula_anonymous": "AB3C5D9",
"energy_above_hull": 2.082214161388889,
"spacegroup": 20
},
{
"id": "jvasp-74668",
"created_at": "2022-09-04T14:35:59.239732Z",
"updated_at": "2022-09-04T14:35:59.239756Z",
"structure_string": "Be1 Bi2 Pt1\n1.0\n4.760443 0.000000 0.000000\n0.000000 4.760443 -0.000000\n0.000000 0.000000 3.828369\nBe Bi Pt\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Bi",
"Pt"
],
"chemical_system": "Be-Bi-Pt",
"density": 11.906133194398983,
"density_atomic": 0.04610536468747954,
"volume": 86.75779981599945,
"volume_molar": 13.06169206299627,
"formula_full": "Be1 Bi2 Pt1",
"formula_reduced": "BeBi2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6622890250000002,
"spacegroup": 123
},
{
"id": "jvasp-73473",
"created_at": "2022-09-04T14:35:59.247682Z",
"updated_at": "2022-09-04T14:35:59.247712Z",
"structure_string": "Na1 Ti1 Be2\n1.0\n-2.169125 2.169125 3.066562\n2.169125 -2.169125 3.066562\n2.169125 2.169125 -3.066562\nNa Ti Be\n1 1 2\ndirect\n0.250000 0.749999 0.499999 Na\n0.749999 0.250000 0.499999 Ti\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ti",
"Be"
],
"chemical_system": "Be-Na-Ti",
"density": 2.55727704508562,
"density_atomic": 0.06930731760419552,
"volume": 57.71396352176613,
"volume_molar": 8.689040303639525,
"formula_full": "Na1 Ti1 Be2",
"formula_reduced": "NaTiBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8448373833333331,
"spacegroup": 225
},
{
"id": "jvasp-64107",
"created_at": "2022-09-04T14:35:59.251980Z",
"updated_at": "2022-09-04T14:35:59.251998Z",
"structure_string": "Ba4 Ta1 Ga1\n1.0\n-0.000000 4.906277 4.906277\n4.906277 -0.000000 4.906277\n4.906277 4.906277 0.000000\nBa Ta Ga\n4 1 1\ndirect\n0.124872 0.625043 0.625043 Ba\n0.625043 0.625043 0.625043 Ba\n0.625043 0.124872 0.625043 Ba\n0.625043 0.625043 0.124872 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Ga"
],
"chemical_system": "Ba-Ga-Ta",
"density": 5.623949742273819,
"density_atomic": 0.0254018333485325,
"volume": 236.20342349606938,
"volume_molar": 23.70750440478702,
"formula_full": "Ba4 Ta1 Ga1",
"formula_reduced": "Ba4TaGa",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1517492341666664,
"spacegroup": 216
}
]
}