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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=395",
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"results": [
{
"id": "jvasp-45520",
"created_at": "2022-09-04T14:36:52.067584Z",
"updated_at": "2022-09-04T14:36:52.067600Z",
"structure_string": "V4 P4 O20\n1.0\n6.729913 -0.141096 -1.430926\n-3.682281 5.634929 -1.430926\n0.084124 0.151646 8.707561\nV P O\n4 4 20\ndirect\n0.881477 0.598555 0.266207 V\n0.332347 0.615269 0.733791 V\n0.865268 0.082347 0.233791 V\n0.848555 0.631478 0.766207 V\n0.029055 0.031860 0.569639 P\n0.709415 0.212220 0.930360 P\n0.462220 0.459416 0.430360 P\n0.281859 0.779055 0.069639 P\n0.491165 0.962013 0.815778 O\n0.925386 0.896234 0.684220 O\n0.132680 0.844970 0.959076 O\n0.653833 0.361587 0.050645 O\n0.885890 0.173602 0.040922 O\n0.853189 0.060943 0.449354 O\n0.244932 0.289339 0.677704 O\n0.094969 0.882681 0.459076 O\n0.146234 0.675387 0.184221 O\n0.423601 0.635891 0.540923 O\n0.825497 0.824205 0.157071 O\n0.074206 0.575498 0.657072 O\n0.539339 0.994932 0.177704 O\n0.212012 0.241166 0.315779 O\n0.817226 0.361632 0.822294 O\n0.310943 0.603190 0.949354 O\n0.667132 0.668425 0.842927 O\n0.611632 0.567227 0.322295 O\n0.918425 0.417132 0.342927 O\n0.611587 0.403834 0.550645 O\n",
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"density": 3.2723772706270884,
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"volume": 328.6438135674405,
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"formula_full": "V4 P4 O20",
"formula_reduced": "VPO5",
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{
"id": "jvasp-103630",
"created_at": "2022-09-04T14:36:46.160475Z",
"updated_at": "2022-09-04T14:36:46.160499Z",
"structure_string": "Pu1 Ti1 O3\n1.0\n3.912871 -0.000000 0.000000\n0.000000 3.912871 0.000000\n-0.000000 0.000000 3.912871\nPu Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "O-Pu-Ti",
"density": 9.420396980641335,
"density_atomic": 0.08346096724834745,
"volume": 59.90824411514355,
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"formula_full": "Pu1 Ti1 O3",
"formula_reduced": "PuTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.406775766666667,
"spacegroup": 221
},
{
"id": "jvasp-100628",
"created_at": "2022-09-04T14:37:03.587073Z",
"updated_at": "2022-09-04T14:37:03.587101Z",
"structure_string": "Pu2 Te1 O2\n1.0\n3.803185 0.008086 -5.720071\n-0.340396 3.787930 -5.720071\n-0.007376 -0.008086 6.869015\nPu Te O\n2 1 2\ndirect\n0.343912 0.343913 -0.000000 Pu\n0.656086 0.656088 -0.000000 Pu\n0.000000 0.000000 0.000000 Te\n0.749998 0.250000 0.499999 O\n0.249998 0.750000 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pu",
"Te",
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],
"chemical_system": "O-Pu-Te",
"density": 10.903646349636936,
"density_atomic": 0.05069750989151435,
"volume": 98.624173272007,
"volume_molar": 11.878573075653117,
"formula_full": "Pu2 Te1 O2",
"formula_reduced": "Pu2TeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.053132953333334,
"spacegroup": 139
},
{
"id": "jvasp-93702",
"created_at": "2022-09-04T14:36:16.311081Z",
"updated_at": "2022-09-04T14:36:16.311091Z",
"structure_string": "Sr1 Pu1 O4\n1.0\n3.790777 0.026195 5.352072\n1.722485 3.376940 5.352072\n0.042438 0.026195 6.558419\nSr Pu O\n1 1 4\ndirect\n0.500001 0.500001 0.499998 Sr\n0.000000 0.000000 0.000000 Pu\n0.107098 0.107098 0.107098 O\n0.892903 0.892905 0.892899 O\n0.358586 0.358586 0.358584 O\n0.641416 0.641417 0.641412 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Pu",
"O"
],
"chemical_system": "O-Pu-Sr",
"density": 7.952397397619758,
"density_atomic": 0.0726314347862286,
"volume": 82.60885961649265,
"volume_molar": 8.291369677226639,
"formula_full": "Sr1 Pu1 O4",
"formula_reduced": "SrPuO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6359833850000003,
"spacegroup": 166
},
{
"id": "jvasp-16026",
"created_at": "2022-09-04T14:36:01.685983Z",
"updated_at": "2022-09-04T14:36:01.686009Z",
"structure_string": "Sr1 Pu1 O4\n1.0\n3.790773 0.026161 5.351971\n1.722453 3.376952 5.351971\n0.042382 0.026161 6.558336\nSr Pu O\n1 1 4\ndirect\n0.499999 0.499999 0.500001 Sr\n0.000000 0.000000 0.000000 Pu\n0.641429 0.641429 0.641431 O\n0.358570 0.358570 0.358571 O\n0.107103 0.107103 0.107104 O\n0.892895 0.892895 0.892899 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"density": 7.952308193229831,
"density_atomic": 0.07263062005797678,
"volume": 82.6097862748597,
"volume_molar": 8.291462685012018,
"formula_full": "Sr1 Pu1 O4",
"formula_reduced": "SrPuO4",
"formula_anonymous": "ABC4",
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"spacegroup": 166
},
{
"id": "jvasp-110506",
"created_at": "2022-09-04T14:38:38.907813Z",
"updated_at": "2022-09-04T14:38:38.907836Z",
"structure_string": "Sr1 Pu1 O3\n1.0\n4.354853 -0.000000 -0.000000\n0.000000 4.354853 -0.000000\n0.000000 -0.000000 4.354853\nSr Pu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Pu\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 7.632654845492566,
"density_atomic": 0.060540988113763745,
"volume": 82.58867514029343,
"volume_molar": 9.947212537535195,
"formula_full": "Sr1 Pu1 O3",
"formula_reduced": "SrPuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.475507362,
"spacegroup": 221
},
{
"id": "jvasp-37620",
"created_at": "2022-09-04T14:38:04.025230Z",
"updated_at": "2022-09-04T14:38:04.025257Z",
"structure_string": "Sm1 Pu1 O3\n1.0\n4.333835 0.000000 0.000000\n-0.000000 4.333835 -0.000000\n0.000000 -0.000000 4.333835\nSm Pu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500001 0.500001 Pu\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n0.500001 0.500001 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"O"
],
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"density": 9.024144935236713,
"density_atomic": 0.06142609208715574,
"volume": 81.39863419775494,
"volume_molar": 9.803880656212598,
"formula_full": "Sm1 Pu1 O3",
"formula_reduced": "SmPuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.0031558750000005,
"spacegroup": 221
},
{
"id": "jvasp-18085",
"created_at": "2022-09-04T14:38:15.054856Z",
"updated_at": "2022-09-04T14:38:15.054872Z",
"structure_string": "Pu2 S1 O2\n1.0\n1.931390 -3.345266 -0.000000\n1.931390 3.345266 0.000000\n-0.000000 0.000000 6.650048\nPu S O\n2 1 2\ndirect\n0.666667 0.333333 0.275183 Pu\n0.333333 0.666667 0.724817 Pu\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.371008 O\n0.666667 0.333333 0.628992 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"S",
"O"
],
"chemical_system": "O-Pu-S",
"density": 10.667998776073048,
"density_atomic": 0.05818547627939111,
"volume": 85.93209714381878,
"volume_molar": 10.349903696041414,
"formula_full": "Pu2 S1 O2",
"formula_reduced": "Pu2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.2105714,
"spacegroup": 164
},
{
"id": "jvasp-100301",
"created_at": "2022-09-04T14:36:39.658516Z",
"updated_at": "2022-09-04T14:36:39.658541Z",
"structure_string": "Rb2 Pu1 O4\n1.0\n4.137132 -0.010999 -6.379190\n-0.371379 4.120444 -6.379190\n0.010079 0.010999 7.603277\nRb Pu O\n2 1 4\ndirect\n0.346928 0.346928 -0.000001 Rb\n0.653071 0.653071 -0.000001 Rb\n0.000000 0.000000 0.000000 Pu\n0.139105 0.139105 -0.000000 O\n0.860895 0.860894 -0.000001 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 7,
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"elements": [
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"density": 6.109951678768891,
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"volume": 130.1626151406807,
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"formula_full": "Rb2 Pu1 O4",
"formula_reduced": "Rb2PuO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 139
},
{
"id": "jvasp-19092",
"created_at": "2022-09-04T14:36:59.083879Z",
"updated_at": "2022-09-04T14:36:59.083899Z",
"structure_string": "U4 P4 O18\n1.0\n5.761064 -0.015752 0.000000\n-1.387675 5.591463 -0.000000\n0.000000 -0.000000 12.753785\nU P O\n4 4 18\ndirect\n0.208705 0.791294 0.568763 U\n0.791293 0.208706 0.431237 U\n0.708705 0.291294 0.931236 U\n0.291293 0.708705 0.068763 U\n0.108943 0.891056 0.855788 P\n0.391055 0.608944 0.355788 P\n0.891055 0.108944 0.144212 P\n0.608943 0.391056 0.644212 P\n0.861089 0.138911 0.261483 O\n0.638910 0.361090 0.761483 O\n0.486015 0.854262 0.412877 O\n0.013983 0.645737 0.912877 O\n0.854261 0.486016 0.587122 O\n0.442309 0.557690 0.623352 O\n0.986015 0.354262 0.087123 O\n0.145737 0.513984 0.412877 O\n0.354261 0.986015 0.912877 O\n0.361089 0.638910 0.238517 O\n0.138909 0.861089 0.738517 O\n0.499999 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.942309 0.057690 0.876648 O\n0.557689 0.442310 0.376648 O\n0.057689 0.942309 0.123352 O\n0.513984 0.145738 0.587122 O\n0.645737 0.013984 0.087123 O\n",
"nsites": 26,
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"elements": [
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"density": 5.516847575595749,
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"volume": 410.556041258297,
"volume_molar": 9.509331808945507,
"formula_full": "U4 P4 O18",
"formula_reduced": "U2P2O9",
"formula_anonymous": "A2B2C9",
"energy_above_hull": 3.521084961538462,
"spacegroup": 64
},
{
"id": "jvasp-92477",
"created_at": "2022-09-04T14:35:41.884268Z",
"updated_at": "2022-09-04T14:35:41.884284Z",
"structure_string": "Pu2 O3\n1.0\n-1.880986 -3.257867 0.000020\n-1.881320 3.258061 0.000063\n0.000133 -0.000040 -5.939029\nPu O\n2 3\ndirect\n0.333353 0.666684 0.241916 Pu\n0.666649 0.333317 0.758085 Pu\n0.000000 0.000000 0.000000 O\n0.333337 0.666671 0.641777 O\n0.666666 0.333330 0.358223 O\n",
"nsites": 5,
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"elements": [
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"volume": 72.79739535675583,
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"formula_full": "Pu2 O3",
"formula_reduced": "Pu2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.2663121,
"spacegroup": 164
},
{
"id": "jvasp-20527",
"created_at": "2022-09-04T14:38:28.851749Z",
"updated_at": "2022-09-04T14:38:28.851785Z",
"structure_string": "Pu1 O2\n1.0\n3.292641 -0.000000 1.901007\n1.097547 3.104332 1.901007\n0.000000 0.000000 3.802016\nPu O\n1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.749999 0.750002 O\n0.250000 0.250000 0.250001 O\n",
"nsites": 3,
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"elements": [
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"density": 11.793149598561186,
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"volume": 38.86211956394036,
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"formula_full": "Pu1 O2",
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"formula_anonymous": "AB2",
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"spacegroup": 225
}
]
}