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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=885",
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"results": [
{
"id": "jvasp-55531",
"created_at": "2022-09-04T14:37:08.645425Z",
"updated_at": "2022-09-04T14:37:08.645445Z",
"structure_string": "Sr4 Pb4 O12\n1.0\n5.925384 -0.000000 0.000000\n-0.000000 6.093364 0.000000\n0.000000 0.000000 8.427616\nSr Pb O\n4 4 12\ndirect\n0.986031 0.447270 0.250000 Sr\n0.486032 0.052730 0.750000 Sr\n0.513968 0.947270 0.250000 Sr\n0.013968 0.552729 0.750000 Sr\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 Pb\n0.603684 0.458911 0.750000 O\n0.103684 0.041088 0.250000 O\n0.198789 0.297312 0.945741 O\n0.698788 0.202688 0.054260 O\n0.301211 0.797312 0.554260 O\n0.698788 0.202688 0.445741 O\n0.801211 0.702687 0.054260 O\n0.301211 0.797312 0.945741 O\n0.396315 0.541088 0.250000 O\n0.198789 0.297312 0.554260 O\n0.801211 0.702687 0.445741 O\n0.896315 0.958911 0.750000 O\n",
"nsites": 20,
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"elements": [
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"density": 7.483324831936879,
"density_atomic": 0.06572818407292984,
"volume": 304.2834711180923,
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"formula_full": "Sr4 Pb4 O12",
"formula_reduced": "SrPbO3",
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"spacegroup": 62
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{
"id": "jvasp-12348",
"created_at": "2022-09-04T14:38:14.382718Z",
"updated_at": "2022-09-04T14:38:14.382742Z",
"structure_string": "Sr4 Pb2 O8\n1.0\n3.549334 0.000000 0.000000\n0.000000 6.214802 0.000000\n0.000000 0.000000 10.161647\nSr Pb O\n4 2 8\ndirect\n0.499999 0.424387 0.818959 Sr\n0.499999 0.575613 0.181041 Sr\n0.499999 0.924387 0.681041 Sr\n0.499999 0.075613 0.318959 Sr\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.133683 0.804805 O\n0.000000 0.866317 0.195195 O\n0.000000 0.633682 0.695196 O\n0.000000 0.366317 0.304805 O\n0.499999 0.272774 0.551461 O\n0.499999 0.727226 0.448540 O\n0.499999 0.227226 0.051461 O\n0.499999 0.772774 0.948540 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Pb",
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"chemical_system": "O-Pb-Sr",
"density": 6.614569555173185,
"density_atomic": 0.06245824334527483,
"volume": 224.14975590342382,
"volume_molar": 9.641867009786138,
"formula_full": "Sr4 Pb2 O8",
"formula_reduced": "Sr2PbO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1576898009523808,
"spacegroup": 55
},
{
"id": "jvasp-27502",
"created_at": "2022-09-04T14:38:13.479597Z",
"updated_at": "2022-09-04T14:38:13.479624Z",
"structure_string": "Sr4 P4 Se12\n1.0\n0.000000 7.039021 0.004064\n7.819735 0.000000 0.000000\n0.000000 -6.731934 -9.827922\nSr P Se\n4 4 12\ndirect\n0.714307 0.891763 0.251613 Sr\n0.285694 0.391763 0.248387 Sr\n0.285694 0.108237 0.748387 Sr\n0.714307 0.608236 0.751613 Sr\n0.376412 0.892877 0.435879 P\n0.623588 0.392877 0.064121 P\n0.623588 0.107123 0.564121 P\n0.376413 0.607122 0.935879 P\n0.390070 0.305124 0.554311 Se\n0.609931 0.805123 0.945689 Se\n0.220049 0.797647 0.542344 Se\n0.779952 0.297647 0.957656 Se\n0.779952 0.202353 0.457656 Se\n0.871283 0.997333 0.767806 Se\n0.128718 0.002667 0.232194 Se\n0.871283 0.502667 0.267806 Se\n0.390069 0.194876 0.054312 Se\n0.128718 0.497333 0.732194 Se\n0.220048 0.702353 0.042344 Se\n0.609931 0.694876 0.445689 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"P",
"Se"
],
"chemical_system": "P-Se-Sr",
"density": 4.3663890421733385,
"density_atomic": 0.03698586540682068,
"volume": 540.74711460751,
"volume_molar": 16.282276198651385,
"formula_full": "Sr4 P4 Se12",
"formula_reduced": "SrPSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2015663819999998,
"spacegroup": 14
},
{
"id": "jvasp-45399",
"created_at": "2022-09-04T14:36:51.489999Z",
"updated_at": "2022-09-04T14:36:51.490012Z",
"structure_string": "Sr4 P4 S12\n1.0\n0.000000 6.684582 0.008852\n7.579378 0.000000 0.000000\n0.000000 -6.387342 -9.434799\nSr P S\n4 4 12\ndirect\n0.708493 0.611762 0.749674 Sr\n0.291507 0.111761 0.750326 Sr\n0.291507 0.388239 0.250326 Sr\n0.708493 0.888239 0.249674 Sr\n0.370744 0.608818 0.933869 P\n0.629257 0.108818 0.566131 P\n0.629256 0.391182 0.066131 P\n0.370744 0.891182 0.433869 P\n0.782594 0.308222 0.963081 S\n0.217406 0.808222 0.536920 S\n0.137746 0.504111 0.738427 S\n0.862254 0.004111 0.761573 S\n0.862254 0.495889 0.261573 S\n0.405512 0.199643 0.057034 S\n0.594488 0.800357 0.942967 S\n0.405512 0.300357 0.557034 S\n0.782594 0.191778 0.463081 S\n0.594488 0.699643 0.442967 S\n0.137746 0.995889 0.238427 S\n0.217406 0.691778 0.036919 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"P",
"S"
],
"chemical_system": "P-S-Sr",
"density": 2.987237089660951,
"density_atomic": 0.041877335844153235,
"volume": 477.5852999443452,
"volume_molar": 14.380429505858336,
"formula_full": "Sr4 P4 S12",
"formula_reduced": "SrPS3",
"formula_anonymous": "ABC3",
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"spacegroup": 14
},
{
"id": "jvasp-116557",
"created_at": "2022-09-04T14:38:42.112305Z",
"updated_at": "2022-09-04T14:38:42.112326Z",
"structure_string": "Sr4 P4 O16\n1.0\n6.648433 -0.075416 -1.160737\n-0.021545 7.159019 -0.700311\n-0.429025 0.652276 6.918537\nSr P O\n4 4 16\ndirect\n0.405108 0.347105 0.228069 Sr\n0.594891 0.652896 0.771931 Sr\n0.904772 0.153210 0.727915 Sr\n0.095228 0.846791 0.272085 Sr\n0.604975 0.840897 0.301874 P\n0.395025 0.159103 0.698126 P\n0.895105 0.341116 0.198520 P\n0.104894 0.658884 0.801480 P\n0.943925 0.504432 0.742805 O\n0.056075 0.495569 0.257195 O\n0.288611 0.596699 0.966986 O\n0.711389 0.403301 0.033014 O\n0.001889 0.826210 0.878811 O\n-0.001889 0.173791 0.121189 O\n0.556162 0.004345 0.756801 O\n0.497837 0.325600 0.620990 O\n0.306614 0.210765 0.877100 O\n0.693386 0.789236 0.122900 O\n0.806418 0.290448 0.377080 O\n0.502163 0.674400 0.379010 O\n0.210966 0.096625 0.533180 O\n0.789034 0.903376 0.466820 O\n0.443837 0.995655 0.243199 O\n0.193581 0.709552 0.622920 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"P",
"O"
],
"chemical_system": "O-P-Sr",
"density": 3.6891178423418567,
"density_atomic": 0.07300362960594266,
"volume": 328.75077759210956,
"volume_molar": 8.24909774007974,
"formula_full": "Sr4 P4 O16",
"formula_reduced": "SrPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7978626350000009,
"spacegroup": 14
},
{
"id": "jvasp-21840",
"created_at": "2022-09-04T14:37:33.174923Z",
"updated_at": "2022-09-04T14:37:33.174942Z",
"structure_string": "Sr4 P4 Ir4\n1.0\n6.375608 -0.000000 0.000000\n0.000000 6.375608 0.000000\n-0.000000 0.000000 6.375608\nSr P Ir\n4 4 4\ndirect\n0.619107 0.380893 0.880893 Sr\n0.380893 0.880893 0.619107 Sr\n0.119107 0.119107 0.119107 Sr\n0.880893 0.619107 0.380893 Sr\n0.162847 0.337153 0.662847 P\n0.662847 0.162847 0.337153 P\n0.337153 0.662847 0.162847 P\n0.837153 0.837153 0.837153 P\n0.590171 0.909830 0.090171 Ir\n0.090171 0.590171 0.909830 Ir\n0.409829 0.409829 0.409829 Ir\n0.909830 0.090171 0.590171 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"P",
"Ir"
],
"chemical_system": "Ir-P-Sr",
"density": 7.966000258531744,
"density_atomic": 0.0463037777961364,
"volume": 259.1581199450487,
"volume_molar": 13.00572231171706,
"formula_full": "Sr4 P4 Ir4",
"formula_reduced": "SrPIr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.732197636666667,
"spacegroup": 198
},
{
"id": "jvasp-2778",
"created_at": "2022-09-04T14:37:05.807403Z",
"updated_at": "2022-09-04T14:37:05.807423Z",
"structure_string": "Sr4 P2 O1\n1.0\n4.624861 -0.000000 -1.328562\n-0.381650 4.609087 -1.328562\n-0.010660 -0.011579 8.676979\nSr P O\n4 2 1\ndirect\n0.675096 0.675097 0.350193 Sr\n0.324904 0.324904 0.649808 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.864765 0.864765 0.729531 P\n0.135235 0.135235 0.270470 P\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 3.849266259001861,
"density_atomic": 0.03787478181391568,
"volume": 184.81954653605715,
"volume_molar": 15.900133206278664,
"formula_full": "Sr4 P2 O1",
"formula_reduced": "Sr4P2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7476071057142857,
"spacegroup": 139
},
{
"id": "jvasp-56342",
"created_at": "2022-09-04T14:37:33.475634Z",
"updated_at": "2022-09-04T14:37:33.475660Z",
"structure_string": "Sr4 P12\n1.0\n6.720868 -0.006347 1.339519\n2.598656 6.198154 1.339519\n0.002508 0.001666 8.613095\nSr P\n4 12\ndirect\n0.042042 0.042042 0.259377 Sr\n0.707045 0.707044 0.225149 Sr\n0.292956 0.292956 0.774851 Sr\n0.957959 0.957958 0.740623 Sr\n0.359969 0.837658 0.977399 P\n0.094624 0.605141 0.487618 P\n0.324993 0.324993 0.161601 P\n0.394860 0.905376 0.512382 P\n0.418931 0.418930 0.365170 P\n0.675008 0.675007 0.838398 P\n0.605142 0.094624 0.487618 P\n0.581071 0.581070 0.634829 P\n0.640033 0.162342 0.022600 P\n0.905377 0.394859 0.512382 P\n0.837659 0.359968 0.977399 P\n0.162343 0.640032 0.022600 P\n",
"nsites": 16,
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"elements": [
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"chemical_system": "P-Sr",
"density": 3.3412047213671223,
"density_atomic": 0.04457973152357594,
"volume": 358.90750018398876,
"volume_molar": 13.508696787048164,
"formula_full": "Sr4 P12",
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"formula_anonymous": "AB3",
"energy_above_hull": 1.9033982025000005,
"spacegroup": 12
},
{
"id": "jvasp-122031",
"created_at": "2022-09-04T14:38:54.800256Z",
"updated_at": "2022-09-04T14:38:54.800285Z",
"structure_string": "Sr4 O8\n1.0\n4.409237 0.000000 0.000000\n0.000000 4.922340 0.000000\n-0.000000 -0.000000 8.503524\nSr O\n4 8\ndirect\n0.751249 0.750000 0.125014 Sr\n0.748752 0.750000 0.625013 Sr\n0.248751 0.250000 0.874986 Sr\n0.251249 0.250000 0.374986 Sr\n0.424051 0.750000 0.374282 O\n0.075949 0.750000 0.874282 O\n0.575949 0.250000 0.625717 O\n-0.075949 0.250000 0.125717 O\n0.077847 0.750000 0.375734 O\n0.422154 0.750000 0.875734 O\n0.922154 0.250000 0.624265 O\n0.577847 0.250000 0.124266 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
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],
"chemical_system": "O-Sr",
"density": 4.3050136898470885,
"density_atomic": 0.06502004306082007,
"volume": 184.55847512704875,
"volume_molar": 9.261975963883721,
"formula_full": "Sr4 O8",
"formula_reduced": "SrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.138911166666667,
"spacegroup": 71
},
{
"id": "jvasp-96827",
"created_at": "2022-09-04T14:36:22.384017Z",
"updated_at": "2022-09-04T14:36:22.384044Z",
"structure_string": "Sr4 Ni2 Se4 Cl4 O12\n1.0\n5.377904 0.000000 -0.267356\n0.000000 6.447730 0.000000\n-0.076511 0.000000 12.153205\nSr Ni Se Cl O\n4 2 4 4 12\ndirect\n0.485394 0.802718 0.265248 Sr\n0.514605 0.197282 0.734752 Sr\n0.014605 0.302718 0.234752 Sr\n0.985394 0.697282 0.765248 Sr\n0.500000 0.500000 -0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.507818 0.261247 0.429821 Se\n0.007818 0.238753 0.929821 Se\n0.992181 0.761247 0.070179 Se\n0.492182 0.738753 0.570179 Se\n0.952544 0.676932 0.397511 Cl\n0.047456 0.323068 0.602489 Cl\n0.452544 0.823068 0.897512 Cl\n0.547455 0.176932 0.102488 Cl\n0.243186 0.874882 0.621829 O\n0.256814 0.374882 0.878171 O\n0.279110 0.073686 0.395657 O\n0.937950 0.068006 0.825926 O\n0.743186 0.625118 0.121829 O\n0.779110 0.426314 0.895657 O\n0.562049 0.568006 0.674074 O\n0.437950 0.431994 0.325926 O\n0.062050 0.931994 0.174074 O\n0.220890 0.573686 0.104343 O\n0.756813 0.125118 0.378171 O\n0.720890 0.926314 0.604343 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Ni-O-Se-Sr",
"density": 4.404801784102171,
"density_atomic": 0.06171611513438992,
"volume": 421.283808019732,
"volume_molar": 9.75780919924478,
"formula_full": "Sr4 Ni2 Se4 Cl4 O12",
"formula_reduced": "Sr2NiSe2(ClO3)2",
"formula_anonymous": "AB2C2D2E6",
"energy_above_hull": 1.5064446837179486,
"spacegroup": 14
},
{
"id": "jvasp-55616",
"created_at": "2022-09-04T14:37:14.235690Z",
"updated_at": "2022-09-04T14:37:14.235718Z",
"structure_string": "Sr4 Nd2 Bi2 O12\n1.0\n0.000000 6.003517 0.002078\n6.194033 0.000000 0.000000\n0.000000 -5.963455 -8.594225\nSr Nd Bi O\n4 2 2 12\ndirect\n0.763499 0.050120 0.249451 Sr\n0.236502 0.550120 0.250550 Sr\n0.236503 0.949879 0.750550 Sr\n0.763500 0.449880 0.749451 Sr\n0.500000 0.500000 -0.000000 Nd\n0.500001 0.000000 0.500000 Nd\n0.000001 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.655058 0.044602 0.762466 O\n0.344944 0.544602 0.737534 O\n0.126815 0.786817 0.440060 O\n0.873186 0.286818 0.059940 O\n0.873187 0.213182 0.559940 O\n0.765661 0.692213 0.554193 O\n0.234341 0.307787 0.445807 O\n0.765660 0.807786 0.054193 O\n0.655058 0.455398 0.262466 O\n0.234342 0.192213 0.945807 O\n0.126816 0.713182 0.940060 O\n0.344943 0.955398 0.237534 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Nd",
"Bi",
"O"
],
"chemical_system": "Bi-Nd-O-Sr",
"density": 6.490844787847291,
"density_atomic": 0.06259625291089976,
"volume": 319.5079428870644,
"volume_molar": 9.620609030019713,
"formula_full": "Sr4 Nd2 Bi2 O12",
"formula_reduced": "Sr2NdBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.642473942,
"spacegroup": 14
},
{
"id": "jvasp-21006",
"created_at": "2022-09-04T14:38:17.632560Z",
"updated_at": "2022-09-04T14:38:17.632579Z",
"structure_string": "Sr4 Nb8 O24\n1.0\n0.000000 7.759223 -0.003199\n5.647193 0.000000 0.000000\n0.000000 -0.055257 -11.207408\nSr Nb O\n4 8 24\ndirect\n0.249863 0.463197 0.039284 Sr\n0.750136 0.963197 0.460716 Sr\n0.750136 0.536802 0.960716 Sr\n0.249863 0.036802 0.539284 Sr\n0.479745 0.466936 0.356935 Nb\n0.479744 0.033064 0.856935 Nb\n0.520255 0.533063 0.643065 Nb\n0.520255 0.966936 0.143065 Nb\n0.992199 0.472933 0.355896 Nb\n0.992198 0.027067 0.855896 Nb\n0.007801 0.527067 0.644104 Nb\n0.007801 0.972933 0.144104 Nb\n0.036108 0.779282 0.973583 O\n0.948249 0.133603 0.289073 O\n0.051751 0.633603 0.210927 O\n0.464216 0.778459 0.973648 O\n0.535783 0.278460 0.526353 O\n0.535783 0.221540 0.026352 O\n0.464217 0.721540 0.473648 O\n0.036108 0.720717 0.473583 O\n0.963891 0.220718 0.026417 O\n0.963891 0.279282 0.526417 O\n0.445793 0.861889 0.711631 O\n0.748504 0.964617 0.853383 O\n0.554206 0.138111 0.288369 O\n0.445793 0.638111 0.211631 O\n0.251495 0.035383 0.146617 O\n0.748504 0.535383 0.353383 O\n0.948248 0.366397 0.789073 O\n0.251495 0.464617 0.646617 O\n0.751837 0.851224 0.127963 O\n0.248163 0.351224 0.372037 O\n0.248163 0.148776 0.872037 O\n0.751836 0.648776 0.627963 O\n0.554206 0.361889 0.788369 O\n0.051751 0.866397 0.710927 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
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],
"chemical_system": "Nb-O-Sr",
"density": 4.996700648628336,
"density_atomic": 0.07330702099103302,
"volume": 491.0852946050495,
"volume_molar": 8.214957692437991,
"formula_full": "Sr4 Nb8 O24",
"formula_reduced": "SrNb2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.938978456666667,
"spacegroup": 14
}
]
}