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=-id&page=468",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=466",
"results": [
{
"id": "jvasp-88448",
"created_at": "2022-09-04T14:35:57.564459Z",
"updated_at": "2022-09-04T14:35:57.564481Z",
"structure_string": "Ce6 P17 Pd6\n1.0\n8.437125 -0.000000 -2.982974\n-4.218563 7.306766 -2.982974\n0.000000 0.000000 8.948924\nCe P Pd\n6 17 6\ndirect\n0.000000 0.284657 0.284657 Ce\n0.715343 -0.000000 0.715343 Ce\n0.284657 -0.000000 0.284657 Ce\n0.284658 0.284657 0.000000 Ce\n0.715344 0.715343 0.000001 Ce\n0.000000 0.715343 0.715343 Ce\n0.000000 0.578256 0.000001 P\n0.578256 0.000000 0.000000 P\n0.421745 0.421745 0.421745 P\n0.214130 0.214130 0.573643 P\n0.640487 0.426358 0.640487 P\n0.426358 0.640487 0.640487 P\n0.000000 0.359513 0.785871 P\n0.359513 -0.000000 0.785870 P\n0.785871 -0.000000 0.359514 P\n0.214130 0.573643 0.214130 P\n0.785871 0.359513 0.000001 P\n0.000000 0.785871 0.359514 P\n-0.000000 -0.000000 0.578255 P\n0.359514 0.785871 0.000001 P\n0.640488 0.640487 0.426358 P\n0.573643 0.214130 0.214130 P\n0.000000 0.000000 0.000000 P\n0.500001 0.750000 0.250001 Pd\n0.250001 0.750000 0.500001 Pd\n0.750001 0.250000 0.500001 Pd\n0.250000 0.500000 0.750000 Pd\n0.750001 0.500000 0.250001 Pd\n0.500000 0.250000 0.750000 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ce",
"P",
"Pd"
],
"chemical_system": "Ce-P-Pd",
"density": 6.037257732059723,
"density_atomic": 0.05256631042860674,
"volume": 551.68414453182,
"volume_molar": 11.456274391140708,
"formula_full": "Ce6 P17 Pd6",
"formula_reduced": "Ce6P17Pd6",
"formula_anonymous": "A6B6C17",
"energy_above_hull": 3.2352634724137936,
"spacegroup": 217
},
{
"id": "jvasp-88447",
"created_at": "2022-09-04T14:35:51.299537Z",
"updated_at": "2022-09-04T14:35:51.299561Z",
"structure_string": "La4 Zr4 O14\n1.0\n6.643415 -0.000000 3.835577\n2.214472 6.263472 3.835577\n-0.000000 -0.000000 7.671154\nLa Zr O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 La\n-0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000001 La\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.000000 0.000000 Zr\n-0.000000 0.500000 0.000000 Zr\n0.082188 0.667812 0.082188 O\n0.667812 0.082188 0.667812 O\n0.667812 0.082188 0.082188 O\n0.624999 0.625000 0.625000 O\n0.917812 0.332188 0.332188 O\n0.332187 0.917812 0.332188 O\n0.332187 0.332188 0.917812 O\n0.917811 0.917812 0.332189 O\n0.917812 0.332188 0.917813 O\n0.082188 0.667812 0.667812 O\n0.332187 0.917812 0.917813 O\n0.375000 0.375000 0.375000 O\n0.667812 0.667812 0.082189 O\n0.082188 0.082188 0.667812 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"La",
"Zr",
"O"
],
"chemical_system": "La-O-Zr",
"density": 5.953896315481019,
"density_atomic": 0.06892161673336099,
"volume": 319.2031911426574,
"volume_molar": 8.737666127737583,
"formula_full": "La4 Zr4 O14",
"formula_reduced": "La2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8764030454545457,
"spacegroup": 227
},
{
"id": "jvasp-88440",
"created_at": "2022-09-04T14:35:46.181228Z",
"updated_at": "2022-09-04T14:35:46.181256Z",
"structure_string": "Ta4 Co2 O12\n1.0\n4.780936 -0.000000 0.000000\n-0.000000 4.780936 0.000000\n0.000000 0.000000 9.135976\nTa Co O\n4 2 12\ndirect\n0.000000 0.000000 0.669709 Ta\n0.499999 0.499999 0.830292 Ta\n0.000000 0.000000 0.330291 Ta\n0.499999 0.499999 0.169709 Ta\n0.499999 0.499999 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.691605 0.691605 0.000000 O\n0.295486 0.295486 0.325758 O\n0.204514 0.795487 0.825758 O\n0.704515 0.704515 0.674242 O\n0.308396 0.308396 0.000000 O\n0.795487 0.204514 0.825758 O\n0.795487 0.204514 0.174242 O\n0.204514 0.795487 0.174242 O\n0.704515 0.704515 0.325758 O\n0.295486 0.295486 0.674242 O\n0.191604 0.808397 0.500000 O\n0.808397 0.191604 0.500000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"Co",
"O"
],
"chemical_system": "Co-O-Ta",
"density": 8.21943744615065,
"density_atomic": 0.08619690950970434,
"volume": 208.82419221739613,
"volume_molar": 6.986492664591422,
"formula_full": "Ta4 Co2 O12",
"formula_reduced": "Ta2CoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.815121144444445,
"spacegroup": 136
},
{
"id": "jvasp-88438",
"created_at": "2022-09-04T14:36:20.119424Z",
"updated_at": "2022-09-04T14:36:20.119449Z",
"structure_string": "La3 Ga1 Br3\n1.0\n6.108451 0.000000 -0.000000\n0.000000 6.108451 0.000000\n-0.000000 0.000000 6.108451\nLa Ga Br\n3 1 3\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Br\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"La",
"Ga",
"Br"
],
"chemical_system": "Br-Ga-La",
"density": 5.290332872271918,
"density_atomic": 0.030711763631444993,
"volume": 227.92569270860363,
"volume_molar": 19.60858006159595,
"formula_full": "La3 Ga1 Br3",
"formula_reduced": "La3GaBr3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6010313771428573,
"spacegroup": 221
},
{
"id": "jvasp-88430",
"created_at": "2022-09-04T14:36:17.407964Z",
"updated_at": "2022-09-04T14:36:17.407987Z",
"structure_string": "Tl6 B2 S6\n1.0\n5.518038 0.030053 0.000000\n-0.927697 6.610064 0.000000\n0.000000 0.000000 9.817497\nTl B S\n6 2 6\ndirect\n0.270965 0.672063 0.054477 Tl\n0.729035 0.327936 0.554477 Tl\n0.729035 0.327936 0.945524 Tl\n0.270965 0.672063 0.445523 Tl\n0.818711 0.975203 0.250000 Tl\n0.181289 0.024796 0.750000 Tl\n0.389458 0.259279 0.250000 B\n0.610542 0.740720 0.750000 B\n0.751203 0.826917 0.588358 S\n0.248797 0.173081 0.088358 S\n0.248797 0.173081 0.411642 S\n0.751203 0.826917 0.911642 S\n0.325074 0.567391 0.750000 S\n0.674926 0.432608 0.250000 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"B",
"S"
],
"chemical_system": "B-S-Tl",
"density": 6.673945452273584,
"density_atomic": 0.039066551098768866,
"volume": 358.3628348610787,
"volume_molar": 15.415081676328937,
"formula_full": "Tl6 B2 S6",
"formula_reduced": "Tl3BS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.272272911904762,
"spacegroup": 11
},
{
"id": "jvasp-88429",
"created_at": "2022-09-04T14:36:09.823435Z",
"updated_at": "2022-09-04T14:36:09.823463Z",
"structure_string": "Yb16 O24\n1.0\n8.669876 -0.000000 -3.065264\n-4.334938 7.508333 -3.065264\n-0.000000 0.000000 9.195792\nYb O\n16 24\ndirect\n0.500000 0.500000 0.500000 Yb\n0.250000 0.719066 0.469066 Yb\n0.030933 0.750000 0.780934 Yb\n0.780934 0.030934 0.750000 Yb\n0.469066 0.250000 0.719066 Yb\n0.719066 0.469066 0.250000 Yb\n0.750000 0.280934 0.530934 Yb\n0.750000 0.780933 0.030934 Yb\n0.219066 0.969066 0.250000 Yb\n0.530934 0.750000 0.280934 Yb\n0.280934 0.530933 0.750000 Yb\n0.250000 0.219066 0.969066 Yb\n-0.000000 0.500000 0.000000 Yb\n0.500000 0.000000 0.000000 Yb\n0.969067 0.250000 0.219067 Yb\n0.000000 0.000000 0.500000 Yb\n0.962085 0.731131 0.992594 O\n0.537915 0.530508 0.769047 O\n0.238539 0.969492 0.507407 O\n0.730954 0.261460 0.768869 O\n0.030508 0.492593 0.761460 O\n0.992593 0.962085 0.731132 O\n0.231132 0.269046 0.738539 O\n0.268869 0.007407 0.037915 O\n0.230953 0.462085 0.469492 O\n0.462085 0.469492 0.230954 O\n0.761461 0.030508 0.492593 O\n0.269046 0.738539 0.231132 O\n0.037915 0.268868 0.007407 O\n0.261460 0.768868 0.730954 O\n0.492593 0.761460 0.030509 O\n0.007407 0.037915 0.268868 O\n0.469492 0.230953 0.462085 O\n0.969492 0.507407 0.238540 O\n0.768869 0.730953 0.261461 O\n0.731131 0.992593 0.962085 O\n0.769047 0.537915 0.530509 O\n0.530508 0.769046 0.537915 O\n0.738540 0.231131 0.269047 O\n0.507407 0.238539 0.969492 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Yb",
"O"
],
"chemical_system": "O-Yb",
"density": 8.745324808389974,
"density_atomic": 0.06682122609959718,
"volume": 598.6121826076629,
"volume_molar": 9.012317060785426,
"formula_full": "Yb16 O24",
"formula_reduced": "Yb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.7107487,
"spacegroup": 206
},
{
"id": "jvasp-88425",
"created_at": "2022-09-04T14:36:02.984206Z",
"updated_at": "2022-09-04T14:36:02.984233Z",
"structure_string": "K2 Cd1 N12\n1.0\n3.794396 0.000000 0.000000\n-1.897198 7.205228 -0.334223\n0.000000 0.011031 8.638809\nK Cd N\n2 1 12\ndirect\n0.345231 0.690460 0.829933 K\n0.654770 0.309540 0.170068 K\n-0.000000 -0.000000 0.500000 Cd\n0.398309 0.796617 0.484878 N\n0.601691 0.203383 0.515123 N\n0.324135 0.648269 0.415577 N\n0.675866 0.351731 0.584423 N\n0.251313 0.502628 0.351534 N\n0.748687 0.497373 0.648467 N\n0.996637 0.993273 0.773944 N\n0.003364 0.006728 0.226056 N\n0.069554 0.139107 0.845824 N\n0.930446 0.860893 0.154176 N\n0.140360 0.280719 0.918852 N\n0.859641 0.719281 0.081148 N\n",
"nsites": 15,
"nelements": 3,
"elements": [
"K",
"Cd",
"N"
],
"chemical_system": "Cd-K-N",
"density": 2.521714804188277,
"density_atomic": 0.06350695386789763,
"volume": 236.19460683316456,
"volume_molar": 9.482647794014499,
"formula_full": "K2 Cd1 N12",
"formula_reduced": "K2CdN12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 4.81848365,
"spacegroup": 12
},
{
"id": "jvasp-88423",
"created_at": "2022-09-04T14:35:55.560782Z",
"updated_at": "2022-09-04T14:35:55.560810Z",
"structure_string": "Pb8 O4 F8\n1.0\n5.767839 -0.000000 0.000000\n-0.000000 8.229646 0.000000\n0.000000 0.000000 8.229646\nPb O F\n8 4 8\ndirect\n0.060532 0.250000 0.025250 Pb\n0.560532 0.025250 0.250000 Pb\n0.060532 0.250000 0.474750 Pb\n0.939468 0.750000 0.974750 Pb\n0.939468 0.750000 0.525251 Pb\n0.439468 0.525251 0.750000 Pb\n0.439468 0.974750 0.750000 Pb\n0.560532 0.474750 0.250000 Pb\n0.161934 0.750000 0.750000 O\n0.338066 0.250000 0.250000 O\n0.838066 0.250000 0.250000 O\n0.661934 0.750000 0.750000 O\n0.750000 0.039954 0.960046 F\n0.750000 0.039954 0.539955 F\n0.250000 0.539955 0.460046 F\n0.250000 0.539955 0.039954 F\n0.250000 0.960046 0.460046 F\n0.750000 0.460046 0.539955 F\n0.250000 0.960046 0.039954 F\n0.750000 0.460046 0.960046 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pb",
"O",
"F"
],
"chemical_system": "F-O-Pb",
"density": 7.964289164932275,
"density_atomic": 0.051198184107602636,
"volume": 390.6388546509038,
"volume_molar": 11.762410845164618,
"formula_full": "Pb8 O4 F8",
"formula_reduced": "Pb2OF2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.1555431409999997,
"spacegroup": 137
},
{
"id": "jvasp-88418",
"created_at": "2022-09-04T14:35:45.856647Z",
"updated_at": "2022-09-04T14:35:45.856680Z",
"structure_string": "Mg2 Cu4 O6\n1.0\n3.203729 0.000000 0.000000\n-0.000000 4.065922 0.000000\n0.000000 0.000000 9.441304\nMg Cu O\n2 4 6\ndirect\n0.615692 0.750000 0.750000 Mg\n0.384308 0.250000 0.250000 Mg\n0.839066 0.750000 0.086539 Cu\n0.839066 0.750000 0.413461 Cu\n0.160935 0.250000 0.913461 Cu\n0.160935 0.250000 0.586538 Cu\n0.110234 0.750000 0.597816 O\n0.110234 0.750000 0.902183 O\n0.889767 0.250000 0.402184 O\n0.485130 0.750000 0.250000 O\n0.514871 0.250000 0.750000 O\n0.889767 0.250000 0.097816 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 5.384520012856105,
"density_atomic": 0.09757407636792356,
"volume": 122.98348543676168,
"volume_molar": 6.171865503796575,
"formula_full": "Mg2 Cu4 O6",
"formula_reduced": "MgCu2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.783485075,
"spacegroup": 59
},
{
"id": "jvasp-88416",
"created_at": "2022-09-04T14:36:21.768027Z",
"updated_at": "2022-09-04T14:36:21.768054Z",
"structure_string": "Nd8 Mo4 O24\n1.0\n5.620588 -0.000000 -0.991042\n-0.174743 5.617870 -0.991042\n-0.005610 -0.005787 16.401992\nNd Mo O\n8 4 24\ndirect\n0.961879 0.211878 0.423757 Nd\n0.211879 0.961878 0.923757 Nd\n0.461879 0.711878 0.423757 Nd\n0.288122 0.538122 0.076243 Nd\n0.711879 0.461878 0.923757 Nd\n0.788122 0.038122 0.076243 Nd\n0.538122 0.288121 0.576243 Nd\n0.038122 0.788121 0.576243 Nd\n0.875001 0.625000 0.250000 Mo\n0.625001 0.875000 0.750000 Mo\n0.375000 0.125000 0.250000 Mo\n0.125000 0.375000 0.750000 Mo\n0.508439 0.261282 0.177857 O\n0.583426 0.991561 0.322143 O\n0.008439 0.416575 0.177857 O\n0.669419 0.761282 0.177857 O\n0.261282 0.508439 0.677857 O\n0.083425 0.830582 0.322143 O\n0.750001 0.993949 0.500000 O\n0.416576 0.008439 0.677857 O\n0.006051 0.250000 0.000000 O\n0.493949 0.750000 0.000000 O\n0.250000 0.506051 0.500000 O\n0.250000 0.006051 0.500000 O\n0.993950 0.750000 0.000000 O\n0.506052 0.250000 0.000000 O\n0.761283 0.669418 0.677857 O\n0.750001 0.493949 0.500000 O\n0.491562 0.738718 0.822143 O\n0.830583 0.083424 0.822143 O\n0.238719 0.330582 0.322143 O\n0.738719 0.491561 0.322143 O\n0.330582 0.238718 0.822143 O\n0.991562 0.583424 0.822143 O\n0.916576 0.169418 0.677857 O\n0.169419 0.916575 0.177857 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Nd",
"Mo",
"O"
],
"chemical_system": "Mo-Nd-O",
"density": 6.162182591572743,
"density_atomic": 0.06951948308458013,
"volume": 517.8404441845603,
"volume_molar": 8.662522350278737,
"formula_full": "Nd8 Mo4 O24",
"formula_reduced": "Nd2MoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.773272211111111,
"spacegroup": 142
},
{
"id": "jvasp-88414",
"created_at": "2022-09-04T14:36:16.742152Z",
"updated_at": "2022-09-04T14:36:16.742181Z",
"structure_string": "Er4 Fe4 O12\n1.0\n5.078417 0.000000 0.000000\n0.000000 5.525085 0.000000\n0.000000 0.000000 7.322784\nEr Fe O\n4 4 12\ndirect\n0.975821 0.078404 0.249999 Er\n0.524179 0.578404 0.249999 Er\n0.024179 0.921597 0.749999 Er\n0.475821 0.421597 0.749999 Er\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.393222 0.967715 0.249999 O\n0.893222 0.532287 0.749999 O\n0.686799 0.304134 0.447647 O\n0.686799 0.304134 0.052353 O\n0.186798 0.195866 0.947647 O\n0.813202 0.804134 0.447647 O\n0.313202 0.695867 0.552353 O\n0.313202 0.695867 0.947647 O\n0.813202 0.804134 0.052353 O\n0.186798 0.195866 0.552353 O\n0.106778 0.467714 0.249999 O\n0.606778 0.032286 0.749999 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"Fe",
"O"
],
"chemical_system": "Er-Fe-O",
"density": 8.763923624008719,
"density_atomic": 0.09733890335804843,
"volume": 205.4676939027412,
"volume_molar": 6.186776871574506,
"formula_full": "Er4 Fe4 O12",
"formula_reduced": "ErFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0299751999999995,
"spacegroup": 62
},
{
"id": "jvasp-88413",
"created_at": "2022-09-04T14:36:13.206257Z",
"updated_at": "2022-09-04T14:36:13.206278Z",
"structure_string": "Na1 Al6 Fe3 Si6 B3 O30 F1\n1.0\n8.658763 -0.001096 -3.824421\n-5.869706 6.365589 -3.824421\n-0.000481 -0.001096 9.465748\nNa Al Fe Si B O F\n1 6 3 6 3 30 1\ndirect\n0.237256 0.237256 0.237257 Na\n0.894931 0.558935 0.342442 Al\n0.894931 0.342442 0.558935 Al\n0.342442 0.894932 0.558936 Al\n0.558935 0.342442 0.894932 Al\n0.342442 0.558935 0.894932 Al\n0.558935 0.894932 0.342443 Al\n0.562885 0.562885 0.758918 Fe\n0.562885 0.758918 0.562885 Fe\n0.758917 0.562885 0.562885 Fe\n0.998028 0.191321 0.808710 Si\n0.191321 0.998028 0.808710 Si\n0.808709 0.191321 0.998028 Si\n0.998028 0.808710 0.191321 Si\n0.191321 0.808710 0.998029 Si\n0.808709 0.998028 0.191322 Si\n0.562215 0.562215 0.232342 B\n0.562215 0.232341 0.562215 B\n0.232341 0.562215 0.562215 B\n0.764987 0.964067 0.586704 O\n0.642449 0.164008 0.493712 O\n0.164008 0.493712 0.642450 O\n0.493712 0.642449 0.164008 O\n0.493712 0.164008 0.642449 O\n0.164008 0.642449 0.493713 O\n0.642449 0.493712 0.164008 O\n0.361342 0.786159 0.069260 O\n0.786159 0.069259 0.361343 O\n0.069259 0.361342 0.786159 O\n0.069259 0.786159 0.361343 O\n0.786159 0.361342 0.069259 O\n0.361342 0.069259 0.786159 O\n0.586703 0.764987 0.964068 O\n0.391391 0.775783 0.391392 O\n0.998336 0.998337 0.264837 O\n0.998336 0.264836 0.998337 O\n0.264836 0.998337 0.998337 O\n0.174990 0.884951 0.174990 O\n0.884950 0.174990 0.174990 O\n0.174990 0.174990 0.884951 O\n0.391391 0.391391 0.775783 O\n0.964067 0.586704 0.764987 O\n0.775782 0.391391 0.391392 O\n0.554412 0.374087 0.554413 O\n0.374087 0.554413 0.554413 O\n0.554412 0.554413 0.374087 O\n0.586703 0.964067 0.764988 O\n0.764987 0.586704 0.964068 O\n0.964067 0.764987 0.586704 O\n0.774298 0.774298 0.774299 F\n",
"nsites": 50,
"nelements": 7,
"elements": [
"Na",
"Al",
"Fe",
"Si",
"B",
"O",
"F"
],
"chemical_system": "Al-B-F-Fe-Na-O-Si",
"density": 3.350171969767801,
"density_atomic": 0.09585875017674672,
"volume": 521.6007918714647,
"volume_molar": 6.282306778354849,
"formula_full": "Na1 Al6 Fe3 Si6 B3 O30 F1",
"formula_reduced": "NaAl6Fe3Si6B3O30F",
"formula_anonymous": "ABC3D3E6F6G30",
"energy_above_hull": 3.18316373865,
"spacegroup": 160
}
]
}