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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4142",
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"results": [
{
"id": "jvasp-55288",
"created_at": "2022-09-04T14:38:09.196132Z",
"updated_at": "2022-09-04T14:38:09.196156Z",
"structure_string": "Sr6 Tb2 Rh2 O12\n1.0\n6.823463 -0.005498 -0.227643\n-0.235182 6.819411 -0.227643\n-0.005316 -0.005498 6.827257\nTb Sr Rh O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Tb\n0.749999 0.749999 0.750001 Tb\n0.750000 0.380241 0.119760 Sr\n0.119759 0.750000 0.380242 Sr\n0.380240 0.119759 0.750000 Sr\n0.880240 0.249999 0.619760 Sr\n0.249999 0.619759 0.880242 Sr\n0.619759 0.880241 0.250001 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500001 Rh\n0.088850 0.292044 0.954623 O\n0.792043 0.588850 0.454623 O\n0.545378 0.207956 0.411150 O\n0.411150 0.545378 0.207957 O\n0.207956 0.411149 0.545378 O\n0.707955 0.045377 0.911150 O\n0.911150 0.707956 0.045379 O\n0.045378 0.911149 0.707957 O\n0.454622 0.792043 0.588851 O\n0.588850 0.454621 0.792045 O\n0.954621 0.088850 0.292044 O\n0.292044 0.954622 0.088851 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"density_atomic": 0.06925643945442643,
"volume": 317.6599919560823,
"volume_molar": 8.695423569909071,
"formula_full": "Sr6 Tb2 Rh2 O12",
"formula_reduced": "Sr3TbRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.624424666363636,
"spacegroup": 167
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{
"id": "jvasp-27488",
"created_at": "2022-09-04T14:38:11.431136Z",
"updated_at": "2022-09-04T14:38:11.431164Z",
"structure_string": "Sr6 Zn2 Pt2 O12\n1.0\n6.732853 0.026546 -0.189587\n-0.195747 6.730060 -0.189587\n0.025685 0.026546 6.735473\nSr Zn Pt O\n6 2 2 12\ndirect\n0.885634 0.250001 0.614365 Sr\n0.385634 0.114366 0.749999 Sr\n0.749999 0.385635 0.114365 Sr\n0.114365 0.750000 0.385634 Sr\n0.614365 0.885635 0.249999 Sr\n0.249999 0.614366 0.885634 Sr\n0.749999 0.750001 0.749999 Zn\n0.250000 0.250000 0.250000 Zn\n0.499999 0.500001 0.499999 Pt\n0.000000 0.000000 0.000000 Pt\n0.960074 0.093038 0.287388 O\n0.593036 0.460076 0.787388 O\n0.212611 0.406963 0.539924 O\n0.539924 0.212612 0.406962 O\n0.406962 0.539925 0.212611 O\n0.906962 0.712612 0.039924 O\n0.039924 0.906963 0.712610 O\n0.712610 0.039926 0.906962 O\n0.787388 0.593038 0.460074 O\n0.460074 0.787389 0.593036 O\n0.287388 0.960075 0.093037 O\n0.093036 0.287389 0.960074 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Zn",
"Pt",
"O"
],
"chemical_system": "O-Pt-Sr-Zn",
"density": 6.737252084085985,
"density_atomic": 0.07205940369037127,
"volume": 305.3036643840516,
"volume_molar": 8.357189279384352,
"formula_full": "Sr6 Zn2 Pt2 O12",
"formula_reduced": "Sr3ZnPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3149383390909088,
"spacegroup": 167
},
{
"id": "jvasp-45259",
"created_at": "2022-09-04T14:38:05.908439Z",
"updated_at": "2022-09-04T14:38:05.908459Z",
"structure_string": "Na2 Sr6 Sb2 O12\n1.0\n6.879738 -0.004854 -0.141887\n-0.144743 6.878217 -0.141887\n-0.004756 -0.004854 6.881200\nNa Sr Sb O\n2 6 2 12\ndirect\n0.750000 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.898711 0.250001 0.601289 Sr\n0.398710 0.101290 0.750000 Sr\n0.750000 0.398711 0.101289 Sr\n0.101290 0.750001 0.398710 Sr\n0.601290 0.898712 0.249999 Sr\n0.250000 0.601290 0.898710 Sr\n0.500000 0.500001 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.074910 0.280790 0.945473 O\n0.780790 0.574911 0.445473 O\n0.554527 0.219211 0.425090 O\n0.425090 0.554527 0.219210 O\n0.219211 0.425091 0.554526 O\n0.719210 0.054528 0.925090 O\n0.925091 0.719212 0.054526 O\n0.054527 0.925091 0.719210 O\n0.445474 0.780790 0.574910 O\n0.574910 0.445474 0.780789 O\n0.945474 0.074911 0.280789 O\n0.280790 0.945474 0.074910 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Sr",
"Sb",
"O"
],
"chemical_system": "Na-O-Sb-Sr",
"density": 5.136618097716867,
"density_atomic": 0.06756625121710179,
"volume": 325.6063434585157,
"volume_molar": 8.912941966618575,
"formula_full": "Na2 Sr6 Sb2 O12",
"formula_reduced": "NaSr3SbO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.269331366363636,
"spacegroup": 167
},
{
"id": "jvasp-23047",
"created_at": "2022-09-04T14:38:06.439965Z",
"updated_at": "2022-09-04T14:38:06.439996Z",
"structure_string": "Sr6 Yb2 Rh2 O12\n1.0\n6.772907 0.025505 -0.234436\n-0.243570 6.768574 -0.234436\n0.024512 0.025505 6.776919\nYb Sr Rh O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750001 0.749999 Yb\n0.750000 0.384174 0.115826 Sr\n0.115826 0.750000 0.384173 Sr\n0.384174 0.115827 0.750000 Sr\n0.884174 0.250001 0.615826 Sr\n0.250000 0.615827 0.884173 Sr\n0.615827 0.884174 0.249999 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.499999 Rh\n0.084188 0.286305 0.951489 O\n0.786305 0.584189 0.451489 O\n0.548511 0.213696 0.415812 O\n0.415812 0.548511 0.213695 O\n0.213696 0.415812 0.548510 O\n0.713696 0.048512 0.915812 O\n0.915812 0.713696 0.048510 O\n0.048511 0.915812 0.713695 O\n0.451489 0.786305 0.584187 O\n0.584188 0.451490 0.786304 O\n0.951490 0.084189 0.286304 O\n0.286305 0.951489 0.084187 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "O-Rh-Sr-Yb",
"density": 6.783301011673562,
"density_atomic": 0.07078585126517743,
"volume": 310.7965731397898,
"volume_molar": 8.507548687152042,
"formula_full": "Sr6 Yb2 Rh2 O12",
"formula_reduced": "Sr3YbRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3917085118181816,
"spacegroup": 167
},
{
"id": "jvasp-33069",
"created_at": "2022-09-04T14:37:00.856163Z",
"updated_at": "2022-09-04T14:37:00.856185Z",
"structure_string": "Sb4 H12 O4 F24\n1.0\n-5.045475 5.045475 5.045475\n5.045475 -5.045475 5.045475\n5.045475 5.045475 -5.045475\nSb H O F\n4 12 4 24\ndirect\n0.500000 0.000000 0.003780 Sb\n0.000000 0.003780 0.500000 Sb\n0.003780 0.500000 0.000000 Sb\n0.496220 0.496220 0.496220 Sb\n0.001699 0.973160 0.872234 H\n0.973160 0.872234 0.001699 H\n0.627765 0.600926 0.129464 H\n0.498300 0.370535 0.971462 H\n0.526838 0.528537 0.899073 H\n0.872234 0.001699 0.973160 H\n0.899073 0.526838 0.528537 H\n0.129464 0.627765 0.600926 H\n0.528537 0.899073 0.526838 H\n0.600926 0.129464 0.627765 H\n0.370535 0.971462 0.498300 H\n0.971462 0.498300 0.370535 H\n0.500000 0.000000 0.521430 O\n0.000000 0.521430 0.500000 O\n0.521430 0.500000 0.000000 O\n0.978569 0.978569 0.978569 O\n0.459675 0.161914 0.906198 F\n0.702238 0.040324 0.946522 F\n0.161914 0.906198 0.459675 F\n0.040324 0.946522 0.702238 F\n0.553476 0.593801 0.755715 F\n0.946522 0.702238 0.040324 F\n0.744284 0.338086 0.797761 F\n0.906198 0.459675 0.161914 F\n0.338086 0.797761 0.744284 F\n0.797761 0.744284 0.338086 F\n0.417574 0.250979 0.461893 F\n0.544319 0.833404 0.082426 F\n0.461893 0.417574 0.250979 F\n0.082426 0.544319 0.833404 F\n0.249021 0.666594 0.210912 F\n0.038106 0.289087 0.955679 F\n0.210912 0.249021 0.666594 F\n0.955679 0.038106 0.289087 F\n0.833404 0.082426 0.544319 F\n0.289087 0.955679 0.038106 F\n0.755715 0.553476 0.593801 F\n0.666594 0.210912 0.249021 F\n0.250979 0.461893 0.417574 F\n0.593801 0.755715 0.553476 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"H",
"O",
"F"
],
"chemical_system": "F-H-O-Sb",
"density": 3.293801418400856,
"density_atomic": 0.08564194251360233,
"volume": 513.766954702266,
"volume_molar": 7.0317657251217955,
"formula_full": "Sb4 H12 O4 F24",
"formula_reduced": "SbH3OF6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.0223364813636362,
"spacegroup": 199
},
{
"id": "jvasp-21417",
"created_at": "2022-09-04T14:36:53.395438Z",
"updated_at": "2022-09-04T14:36:53.395455Z",
"structure_string": "Sr6 Zn2 Ir2 O12\n1.0\n6.730047 0.035891 -0.193457\n-0.200125 6.727167 -0.193457\n0.034654 0.035891 6.732738\nSr Zn Ir O\n6 2 2 12\ndirect\n0.613751 0.886249 0.249999 Sr\n0.249999 0.613752 0.886248 Sr\n0.886248 0.250000 0.613751 Sr\n0.386248 0.113752 0.750000 Sr\n0.750000 0.386248 0.113751 Sr\n0.113751 0.750000 0.386248 Sr\n0.749999 0.750000 0.749999 Zn\n0.250000 0.250000 0.250000 Zn\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.093921 0.286199 0.959533 O\n0.786199 0.593921 0.459532 O\n0.540467 0.213801 0.406078 O\n0.406078 0.540467 0.213800 O\n0.213800 0.406079 0.540467 O\n0.713801 0.040467 0.906079 O\n0.906079 0.713801 0.040466 O\n0.040466 0.906079 0.713801 O\n0.459532 0.786199 0.593921 O\n0.593921 0.459533 0.786199 O\n0.959533 0.093921 0.286199 O\n0.286199 0.959533 0.093921 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ir-O-Sr-Zn",
"density": 6.713614968967091,
"density_atomic": 0.07214053118481273,
"volume": 304.9603272762083,
"volume_molar": 8.347790986695426,
"formula_full": "Sr6 Zn2 Ir2 O12",
"formula_reduced": "Sr3ZnIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.5341846754545452,
"spacegroup": 167
},
{
"id": "jvasp-55310",
"created_at": "2022-09-04T14:36:43.599858Z",
"updated_at": "2022-09-04T14:36:43.599873Z",
"structure_string": "Ca6 Fe2 Rh2 O12\n1.0\n6.409837 0.001389 -0.181615\n-0.186873 6.407113 -0.181615\n0.001348 0.001389 6.412410\nCa Fe Rh O\n6 2 2 12\ndirect\n0.750001 0.381156 0.118844 Ca\n0.118845 0.750000 0.381155 Ca\n0.381156 0.118844 0.750000 Ca\n0.881156 0.250000 0.618844 Ca\n0.250001 0.618844 0.881155 Ca\n0.618845 0.881156 0.249999 Ca\n0.750001 0.750000 0.749999 Fe\n0.250000 0.250000 0.250000 Fe\n0.500001 0.500000 0.499999 Rh\n0.000000 0.000000 0.000000 Rh\n0.097485 0.299412 0.960475 O\n0.799412 0.597485 0.460474 O\n0.539525 0.200589 0.402515 O\n0.402515 0.539525 0.200588 O\n0.200589 0.402515 0.539525 O\n0.700589 0.039525 0.902515 O\n0.902516 0.700588 0.039524 O\n0.039526 0.902515 0.700588 O\n0.460476 0.799411 0.597484 O\n0.597486 0.460475 0.799411 O\n0.960476 0.097485 0.299411 O\n0.299412 0.960475 0.097484 O\n",
"nsites": 22,
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"elements": [
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"Fe",
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],
"chemical_system": "Ca-Fe-O-Rh",
"density": 4.728784392266159,
"density_atomic": 0.08353797691598414,
"volume": 263.35327730196116,
"volume_molar": 7.208865934180559,
"formula_full": "Ca6 Fe2 Rh2 O12",
"formula_reduced": "Ca3FeRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.9311700690909088,
"spacegroup": 167
},
{
"id": "jvasp-55621",
"created_at": "2022-09-04T14:36:45.258648Z",
"updated_at": "2022-09-04T14:36:45.258674Z",
"structure_string": "K6 Na2 Fe2 Cl12\n1.0\n8.253265 0.002951 -0.327209\n-0.340557 8.246237 -0.327209\n0.002830 0.002951 8.259749\nK Na Fe Cl\n6 2 2 12\ndirect\n0.371179 0.750000 0.128821 K\n0.128821 0.371179 0.750000 K\n0.750000 0.128821 0.371179 K\n0.628821 0.250000 0.871179 K\n0.871179 0.628821 0.250000 K\n0.250000 0.871179 0.628821 K\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.210514 0.544712 0.419905 Cl\n0.955289 0.289486 0.080094 Cl\n0.080094 0.955289 0.289486 Cl\n0.289486 0.080094 0.955288 Cl\n0.789486 0.455288 0.580095 Cl\n0.580095 0.789486 0.455288 Cl\n0.455288 0.580095 0.789486 Cl\n0.044712 0.710514 0.919906 Cl\n0.919906 0.044712 0.710514 Cl\n0.710514 0.919906 0.044712 Cl\n0.419906 0.210514 0.544712 Cl\n0.544712 0.419906 0.210514 Cl\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Cl-Fe-K-Na",
"density": 2.415313152998019,
"density_atomic": 0.039134114178081575,
"volume": 562.1693620018584,
"volume_molar": 15.38846831333903,
"formula_full": "K6 Na2 Fe2 Cl12",
"formula_reduced": "K3NaFeCl6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-121322",
"created_at": "2022-09-04T14:38:54.073910Z",
"updated_at": "2022-09-04T14:38:54.073936Z",
"structure_string": "Ba6 U2 Ag2 S12\n1.0\n8.471208 0.004042 -0.395119\n-0.414166 8.461078 -0.395119\n0.003847 0.004042 8.480416\nBa U Ag S\n6 2 2 12\ndirect\n0.375455 0.124545 0.750000 Ba\n0.750000 0.375455 0.124545 Ba\n0.124545 0.750000 0.375455 Ba\n0.250000 0.624545 0.875455 Ba\n0.875455 0.250000 0.624545 Ba\n0.624545 0.875455 0.250000 Ba\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.951617 0.083832 0.295309 S\n0.583832 0.451617 0.795309 S\n0.451617 0.795309 0.583832 S\n0.795309 0.583832 0.451617 S\n0.916168 0.704691 0.048383 S\n0.204692 0.416168 0.548383 S\n0.048383 0.916168 0.704692 S\n0.416168 0.548383 0.204691 S\n0.548383 0.204691 0.416168 S\n0.295308 0.951617 0.083832 S\n0.704692 0.048383 0.916169 S\n0.083832 0.295308 0.951618 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Ag",
"S"
],
"chemical_system": "Ag-Ba-S-U",
"density": 5.191675997763493,
"density_atomic": 0.03619136920696485,
"volume": 607.8797371326368,
"volume_molar": 16.639715191656993,
"formula_full": "Ba6 U2 Ag2 S12",
"formula_reduced": "Ba3UAgS6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6316219245454542,
"spacegroup": 167
},
{
"id": "jvasp-55279",
"created_at": "2022-09-04T14:38:14.986781Z",
"updated_at": "2022-09-04T14:38:14.986801Z",
"structure_string": "Sr6 Ho2 Rh2 O12\n1.0\n6.806285 -0.000847 -0.244596\n-0.253514 6.801563 -0.244596\n-0.000815 -0.000847 6.810679\nSr Ho Rh O\n6 2 2 12\ndirect\n0.750001 0.380257 0.119742 Sr\n0.119743 0.749999 0.380257 Sr\n0.380258 0.119742 0.750000 Sr\n0.880259 0.249999 0.619742 Sr\n0.250001 0.619742 0.880257 Sr\n0.619743 0.880257 0.249999 Sr\n0.250000 0.250000 0.250000 Ho\n0.750001 0.749999 0.749999 Ho\n0.000000 0.000000 0.000000 Rh\n0.500001 0.499999 0.499999 Rh\n0.090513 0.292211 0.956534 O\n0.792212 0.590511 0.456533 O\n0.543467 0.207788 0.409488 O\n0.409489 0.543466 0.207788 O\n0.207789 0.409487 0.543466 O\n0.707790 0.043465 0.909488 O\n0.909489 0.707788 0.043465 O\n0.043467 0.909487 0.707788 O\n0.456535 0.792210 0.590511 O\n0.590513 0.456533 0.792211 O\n0.956535 0.090511 0.292211 O\n0.292212 0.956533 0.090511 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Ho",
"Rh",
"O"
],
"chemical_system": "Ho-O-Rh-Sr",
"density": 6.6013084547801615,
"density_atomic": 0.06977812745379638,
"volume": 315.2850442220209,
"volume_molar": 8.630413253762882,
"formula_full": "Sr6 Ho2 Rh2 O12",
"formula_reduced": "Sr3HoRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6196116815151511,
"spacegroup": 167
},
{
"id": "jvasp-27487",
"created_at": "2022-09-04T14:38:16.112948Z",
"updated_at": "2022-09-04T14:38:16.112974Z",
"structure_string": "Sr6 Li2 Ru2 O12\n1.0\n6.703413 -0.006053 -0.272623\n-0.283689 6.697410 -0.272623\n-0.005807 -0.006053 6.708952\nSr Li Ru O\n6 2 2 12\ndirect\n0.890398 0.250001 0.609601 Sr\n0.390399 0.109601 0.750000 Sr\n0.750000 0.390400 0.109601 Sr\n0.109600 0.750000 0.390399 Sr\n0.249999 0.609601 0.890399 Sr\n0.609600 0.890400 0.250000 Sr\n0.250000 0.250000 0.250000 Li\n0.749999 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Ru\n0.499999 0.500000 0.500000 Ru\n0.219763 0.416188 0.546869 O\n0.083811 0.280237 0.953131 O\n0.953131 0.083812 0.280237 O\n0.546868 0.219764 0.416188 O\n0.583811 0.453132 0.780237 O\n0.780236 0.583812 0.453132 O\n0.719763 0.046869 0.916188 O\n0.916188 0.719764 0.046869 O\n0.046868 0.916188 0.719763 O\n0.453131 0.780237 0.583812 O\n0.416188 0.546869 0.219764 O\n0.280236 0.953132 0.083812 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Li",
"Ru",
"O"
],
"chemical_system": "Li-O-Ru-Sr",
"density": 5.148297493533,
"density_atomic": 0.07304889870279584,
"volume": 301.16812697626585,
"volume_molar": 8.243985695802847,
"formula_full": "Sr6 Li2 Ru2 O12",
"formula_reduced": "Sr3LiRuO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.7522791299999998,
"spacegroup": 167
},
{
"id": "jvasp-34752",
"created_at": "2022-09-04T14:38:13.706677Z",
"updated_at": "2022-09-04T14:38:13.706696Z",
"structure_string": "K1 Cd1 N3 O6\n1.0\n5.733485 -0.000000 -0.000000\n0.000000 5.733485 -0.000000\n-0.000000 0.000000 5.733485\nK Cd N O\n1 1 3 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.717886 O\n0.000000 0.717886 0.500000 O\n0.000000 0.282113 0.500000 O\n0.500000 0.000000 0.282113 O\n0.282113 0.500000 0.000000 O\n0.717886 0.500000 0.000000 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
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],
"chemical_system": "Cd-K-N-O",
"density": 2.550823009474462,
"density_atomic": 0.05836287040544111,
"volume": 188.47599378824387,
"volume_molar": 10.318445131579002,
"formula_full": "K1 Cd1 N3 O6",
"formula_reduced": "KCd(NO2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 3.0153362272727264,
"spacegroup": 200
}
]
}