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=-created_at&page=4340",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4338",
"results": [
{
"id": "jvasp-64866",
"created_at": "2022-09-04T14:35:50.759924Z",
"updated_at": "2022-09-04T14:35:50.759956Z",
"structure_string": "Ba4 Tl1 Ge1\n1.0\n-0.000000 4.980828 4.980828\n4.980828 -0.000000 4.980828\n4.980828 4.980828 -0.000000\nBa Tl Ge\n4 1 1\ndirect\n0.127321 0.624227 0.624227 Ba\n0.624227 0.624227 0.624227 Ba\n0.624227 0.127321 0.624227 Ba\n0.624227 0.624227 0.127321 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Ge"
],
"chemical_system": "Ba-Ge-Tl",
"density": 5.552245629627253,
"density_atomic": 0.02427820758618127,
"volume": 247.13521287358523,
"volume_molar": 24.80471731128824,
"formula_full": "Ba4 Tl1 Ge1",
"formula_reduced": "Ba4TlGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-68642",
"created_at": "2022-09-04T14:35:50.757748Z",
"updated_at": "2022-09-04T14:35:50.757776Z",
"structure_string": "Be1 Tl2 Ga1\n1.0\n-2.063399 2.063399 5.387699\n2.063399 -2.063399 5.387699\n2.063399 2.063399 -5.387699\nBe Tl Ga\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Ga"
],
"chemical_system": "Be-Ga-Tl",
"density": 8.822579036718398,
"density_atomic": 0.043594353748396576,
"volume": 91.75500164736637,
"volume_molar": 13.814038383861806,
"formula_full": "Be1 Tl2 Ga1",
"formula_reduced": "BeTl2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1754072812499999,
"spacegroup": 119
},
{
"id": "jvasp-91421",
"created_at": "2022-09-04T14:35:50.752816Z",
"updated_at": "2022-09-04T14:35:50.752842Z",
"structure_string": "Yb4 Se4 O12 F4\n1.0\n6.498913 0.000000 -0.441467\n0.000000 6.838090 0.000000\n0.501159 0.000000 6.713239\nYb Se O F\n4 4 12 4\ndirect\n0.132522 0.176589 0.868261 Yb\n0.132522 0.323411 0.368261 Yb\n0.867478 0.823411 0.131739 Yb\n0.867478 0.676589 0.631739 Yb\n0.670348 0.360922 0.187068 Se\n0.329652 0.860922 0.312931 Se\n0.329652 0.639078 0.812932 Se\n0.670348 0.139078 0.687068 Se\n0.804055 0.968576 0.818124 O\n0.860699 0.302102 0.641260 O\n0.491307 0.763389 0.136267 O\n0.508693 0.263389 0.363733 O\n0.195945 0.468576 0.681876 O\n0.860699 0.197898 0.141259 O\n0.139301 0.697898 0.358740 O\n0.804055 0.531424 0.318124 O\n0.139301 0.802102 0.858740 O\n0.195945 0.031424 0.181875 O\n0.491307 0.736611 0.636267 O\n0.508693 0.236611 0.863733 O\n0.786101 0.925467 0.430425 F\n0.213899 0.074533 0.569575 F\n0.786101 0.574533 0.930425 F\n0.213899 0.425467 0.069575 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Yb",
"Se",
"O",
"F"
],
"chemical_system": "F-O-Se-Yb",
"density": 7.066278068686191,
"density_atomic": 0.08003995171125068,
"volume": 299.85025586449075,
"volume_molar": 7.523918532241577,
"formula_full": "Yb4 Se4 O12 F4",
"formula_reduced": "YbSeO3F",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.0738774748611108,
"spacegroup": 14
},
{
"id": "jvasp-74694",
"created_at": "2022-09-04T14:35:50.751124Z",
"updated_at": "2022-09-04T14:35:50.751148Z",
"structure_string": "La1 Be1 Cu2\n1.0\n4.598197 0.000000 0.000000\n-0.000000 4.598197 0.000000\n-0.000000 0.000000 3.525302\nLa Be Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Be",
"Cu"
],
"chemical_system": "Be-Cu-La",
"density": 6.12668510128923,
"density_atomic": 0.05366467659092777,
"volume": 74.53692548062827,
"volume_molar": 11.221796426549353,
"formula_full": "La1 Be1 Cu2",
"formula_reduced": "LaBeCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.812203,
"spacegroup": 123
},
{
"id": "jvasp-3771",
"created_at": "2022-09-04T14:35:50.750883Z",
"updated_at": "2022-09-04T14:35:50.750911Z",
"structure_string": "Sn3 I6\n1.0\n4.473755 0.000000 0.000000\n-2.236878 7.142410 -0.276027\n0.000000 -0.038198 11.011911\nSn I\n3 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.265541 0.531082 0.307452 Sn\n0.734459 0.468918 0.692547 Sn\n0.078352 0.156705 0.730805 I\n0.921648 0.843295 0.269195 I\n0.361771 0.723542 0.561604 I\n0.638230 0.276458 0.438396 I\n0.351249 0.702498 0.921866 I\n0.648752 0.297502 0.078133 I\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Sn",
"I"
],
"chemical_system": "I-Sn",
"density": 5.274693975814695,
"density_atomic": 0.025581209051484,
"volume": 351.820743964324,
"volume_molar": 23.54126713823422,
"formula_full": "Sn3 I6",
"formula_reduced": "SnI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-67043",
"created_at": "2022-09-04T14:35:50.747536Z",
"updated_at": "2022-09-04T14:35:50.747566Z",
"structure_string": "Hf1 Be2 Ge1\n1.0\n3.090809 -0.000000 -0.000000\n0.000000 3.090809 0.000000\n-0.000000 0.000000 5.857722\nHf Be Ge\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.800793 Be\n0.000000 0.000000 0.199207 Be\n0.500000 0.500000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Hf",
"density": 7.986884978639108,
"density_atomic": 0.07148038750271349,
"volume": 55.959405646033396,
"volume_molar": 8.424885441158795,
"formula_full": "Hf1 Be2 Ge1",
"formula_reduced": "HfBe2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5207552875,
"spacegroup": 123
},
{
"id": "jvasp-97835",
"created_at": "2022-09-04T14:35:50.745873Z",
"updated_at": "2022-09-04T14:35:50.745888Z",
"structure_string": "Na4 P20\n1.0\n6.566077 -0.000000 0.000000\n0.000000 6.984877 0.000000\n0.000000 0.000000 11.032973\nNa P\n4 20\ndirect\n0.250000 0.091088 0.424917 Na\n0.750000 0.908913 0.575083 Na\n0.750000 0.591088 0.075083 Na\n0.250000 0.408913 0.924916 Na\n0.750000 0.435381 0.312061 P\n0.250000 0.564619 0.687939 P\n0.250000 0.024825 0.810225 P\n0.750000 0.975175 0.189775 P\n0.750000 0.524826 0.689775 P\n0.250000 0.475175 0.310225 P\n0.250000 0.869309 0.638412 P\n0.750000 0.130691 0.361588 P\n0.750000 0.369309 0.861588 P\n0.511796 0.595897 0.417561 P\n0.750000 0.064619 0.812061 P\n0.011796 0.404103 0.582439 P\n0.488205 0.095897 0.082439 P\n0.988205 0.904103 0.917561 P\n0.488205 0.404103 0.582439 P\n0.988205 0.595897 0.417561 P\n0.511796 0.904103 0.917561 P\n0.011796 0.095897 0.082439 P\n0.250000 0.630691 0.138412 P\n0.250000 0.935381 0.187939 P\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Na",
"P"
],
"chemical_system": "Na-P",
"density": 2.3346759959291674,
"density_atomic": 0.04743009037265503,
"volume": 506.00789101251155,
"volume_molar": 12.696878105617015,
"formula_full": "Na4 P20",
"formula_reduced": "NaP5",
"formula_anonymous": "AB5",
"energy_above_hull": 2.583329416666667,
"spacegroup": 62
},
{
"id": "jvasp-90037",
"created_at": "2022-09-04T14:35:50.743471Z",
"updated_at": "2022-09-04T14:35:50.743500Z",
"structure_string": "Hf3 Ge3 Ru3\n1.0\n0.000000 0.000000 -3.749948\n-3.372159 -5.840749 0.000000\n-3.372132 5.840735 0.000000\nHf Ge Ru\n3 3 3\ndirect\n0.500000 0.584665 0.000000 Hf\n0.500000 0.415319 0.415337 Hf\n0.500000 -0.000019 0.584662 Hf\n0.000000 0.333318 0.666670 Ge\n0.000000 0.666649 0.333329 Ge\n0.500000 -0.000001 -0.000000 Ge\n0.000000 0.246792 0.000000 Ru\n0.000000 0.753189 0.753201 Ru\n0.000000 0.999988 0.246798 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Hf",
"Ge",
"Ru"
],
"chemical_system": "Ge-Hf-Ru",
"density": 11.877639361968223,
"density_atomic": 0.06092744136201709,
"volume": 147.71669052248615,
"volume_molar": 9.884118921419661,
"formula_full": "Hf3 Ge3 Ru3",
"formula_reduced": "HfGeRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.9537098166666658,
"spacegroup": 189
},
{
"id": "jvasp-65601",
"created_at": "2022-09-04T14:35:50.739265Z",
"updated_at": "2022-09-04T14:35:50.739296Z",
"structure_string": "Ba1 Si2 Rh1\n1.0\n4.230069 0.000000 0.000000\n0.000000 4.230069 -0.000000\n0.000000 0.000000 4.890054\nBa Si Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Rh"
],
"chemical_system": "Ba-Rh-Si",
"density": 5.625017358002137,
"density_atomic": 0.04571423254993754,
"volume": 87.50010176000352,
"volume_molar": 13.173448232826622,
"formula_full": "Ba1 Si2 Rh1",
"formula_reduced": "BaSi2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3124240425,
"spacegroup": 123
},
{
"id": "jvasp-64725",
"created_at": "2022-09-04T14:35:50.736100Z",
"updated_at": "2022-09-04T14:35:50.736129Z",
"structure_string": "Ba4 Tl1 Cd1\n1.0\n-0.000000 5.083711 5.083711\n5.083711 -0.000000 5.083711\n5.083711 5.083711 0.000000\nBa Tl Cd\n4 1 1\ndirect\n0.124023 0.625326 0.625326 Ba\n0.625326 0.625326 0.625326 Ba\n0.625326 0.124023 0.625326 Ba\n0.625326 0.625326 0.124023 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Cd"
],
"chemical_system": "Ba-Cd-Tl",
"density": 5.473255631407681,
"density_atomic": 0.022833826331501664,
"volume": 262.76804916057233,
"volume_molar": 26.373769654592778,
"formula_full": "Ba4 Tl1 Cd1",
"formula_reduced": "Ba4TlCd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65412",
"created_at": "2022-09-04T14:35:50.735856Z",
"updated_at": "2022-09-04T14:35:50.735882Z",
"structure_string": "Ba1 Zn1 P2\n1.0\n3.304572 -3.305617 0.000000\n3.304572 3.305617 0.000000\n0.000000 0.000000 4.338564\nBa Zn P\n1 1 2\ndirect\n-0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"P"
],
"chemical_system": "Ba-P-Zn",
"density": 4.636948256842303,
"density_atomic": 0.042200367725481906,
"volume": 94.7859039053983,
"volume_molar": 14.270351384553559,
"formula_full": "Ba1 Zn1 P2",
"formula_reduced": "BaZnP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0059918425,
"spacegroup": 123
},
{
"id": "jvasp-98068",
"created_at": "2022-09-04T14:35:50.734251Z",
"updated_at": "2022-09-04T14:35:50.734276Z",
"structure_string": "Ti3 H24 C12 N3 O30\n1.0\n8.939816 0.000000 0.000000\n-4.469908 7.742107 -0.000000\n-0.000000 -0.000000 10.697885\nTi H C N O\n3 24 12 3 30\ndirect\n-0.000000 0.500000 0.833333 Ti\n0.500000 0.500000 0.166667 Ti\n0.500000 0.000000 0.500000 Ti\n0.079895 0.974562 0.888904 H\n0.897808 0.263302 0.346523 H\n0.736698 0.634506 0.679857 H\n0.920105 0.894666 0.777764 H\n0.263302 0.897808 0.986811 H\n0.263302 0.365495 0.679857 H\n0.974562 0.894666 0.222237 H\n0.025439 0.920105 0.444430 H\n0.079895 0.105334 0.777764 H\n0.634506 0.736698 0.653477 H\n0.736698 0.102192 0.986811 H\n0.634506 0.897808 0.013189 H\n0.102192 0.736698 0.346523 H\n0.025439 0.105334 0.222237 H\n0.102192 0.365495 0.320144 H\n0.894666 0.920105 0.555571 H\n0.105334 0.025439 0.111096 H\n0.974562 0.079895 0.444430 H\n0.920105 0.025439 0.888904 H\n0.365495 0.102192 0.013189 H\n0.365495 0.263302 0.653477 H\n0.105334 0.079895 0.555571 H\n0.897808 0.634506 0.320144 H\n0.894666 0.974562 0.111096 H\n0.213978 0.427955 0.000000 C\n0.310078 0.689923 0.666667 C\n0.786023 0.572045 0.000000 C\n0.689923 0.379845 0.000000 C\n0.213978 0.786023 0.666667 C\n0.620155 0.310078 0.333333 C\n0.379845 0.689923 0.333333 C\n0.786023 0.213978 0.666667 C\n0.572045 0.786023 0.333333 C\n0.310078 0.620155 0.000000 C\n0.427955 0.213978 0.333333 C\n0.689923 0.310078 0.666667 C\n0.000000 0.000000 0.833333 N\n0.000000 0.000000 0.166667 N\n0.000000 0.000000 0.500000 N\n0.749461 0.749461 0.666667 O\n0.453308 0.761692 0.608076 O\n-0.000000 0.250539 0.333333 O\n0.250540 0.000000 0.000000 O\n0.927642 0.280877 0.726510 O\n0.238308 0.546692 0.725257 O\n0.719124 0.072359 0.606824 O\n0.238308 0.691617 0.941411 O\n0.691617 0.453308 0.274743 O\n0.250540 0.250539 0.666667 O\n0.072359 0.353236 0.940158 O\n0.546692 0.308384 0.058590 O\n0.353236 0.280877 0.273491 O\n0.353236 0.072359 0.393176 O\n0.761692 0.453308 0.725257 O\n0.280877 0.927641 0.606824 O\n0.646765 0.719124 0.273491 O\n0.927642 0.646765 0.940158 O\n0.749461 0.000000 0.000000 O\n0.453309 0.691617 0.058590 O\n0.719124 0.646765 0.059842 O\n0.761692 0.308384 0.941411 O\n0.308384 0.546692 0.274743 O\n-0.000000 0.749461 0.333333 O\n0.072359 0.719124 0.726510 O\n0.546692 0.238308 0.608076 O\n0.691617 0.238308 0.391924 O\n0.308384 0.761692 0.391924 O\n0.280877 0.353236 0.059842 O\n0.646765 0.927641 0.393176 O\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Ti",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Ti",
"density": 1.87020358672584,
"density_atomic": 0.09724041911265233,
"volume": 740.4328432252901,
"volume_molar": 6.193042785041264,
"formula_full": "Ti3 H24 C12 N3 O30",
"formula_reduced": "TiH8C4NO10",
"formula_anonymous": "ABC4D8E10",
"energy_above_hull": 4.085421107638889,
"spacegroup": 181
}
]
}