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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=229",
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"results": [
{
"id": "jvasp-19025",
"created_at": "2022-09-04T14:36:50.821919Z",
"updated_at": "2022-09-04T14:36:50.821946Z",
"structure_string": "P8 Pd8 Se8\n1.0\n5.899200 -0.000000 0.000000\n0.000000 5.936904 0.000000\n0.000000 0.000000 13.896693\nP Pd Se\n8 8 8\ndirect\n0.623825 0.287053 0.078376 P\n0.623825 0.212946 0.921624 P\n0.876175 0.787053 0.421624 P\n0.876175 0.712946 0.578376 P\n0.376175 0.712946 0.921624 P\n0.376175 0.787053 0.078376 P\n0.123825 0.212946 0.578376 P\n0.123825 0.287053 0.421624 P\n0.259293 0.154984 0.108674 Pd\n0.259293 0.345016 0.891326 Pd\n0.240707 0.654983 0.391326 Pd\n0.240707 0.845016 0.608674 Pd\n0.740707 0.845016 0.891326 Pd\n0.740707 0.654983 0.108674 Pd\n0.759294 0.345016 0.608674 Pd\n0.759294 0.154984 0.391326 Pd\n0.366097 0.040309 0.343517 Se\n0.366097 0.459691 0.656483 Se\n0.133903 0.540309 0.156483 Se\n0.133903 0.959690 0.843517 Se\n0.633903 0.959690 0.656483 Se\n0.633903 0.540309 0.343517 Se\n0.866097 0.459691 0.843517 Se\n0.866097 0.040309 0.156483 Se\n",
"nsites": 24,
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"volume": 486.7036576591781,
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"formula_full": "P8 Pd8 Se8",
"formula_reduced": "PPdSe",
"formula_anonymous": "ABC",
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"spacegroup": 60
},
{
"id": "jvasp-4418",
"created_at": "2022-09-04T14:36:38.399058Z",
"updated_at": "2022-09-04T14:36:38.399070Z",
"structure_string": "P8 Pd8 Se8\n1.0\n5.899147 0.000000 0.000000\n0.000000 5.936698 0.000000\n0.000000 0.000000 13.896971\nP Pd Se\n8 8 8\ndirect\n0.623830 0.287052 0.578373 P\n0.623830 0.212948 0.421627 P\n0.876170 0.787052 0.921627 P\n0.876170 0.712948 0.078373 P\n0.376170 0.712948 0.421627 P\n0.376170 0.787052 0.578373 P\n0.123830 0.212948 0.078373 P\n0.123830 0.287052 0.921627 P\n0.259301 0.154981 0.608666 Pd\n0.259301 0.345019 0.391334 Pd\n0.240699 0.654981 0.891334 Pd\n0.240699 0.845019 0.108666 Pd\n0.740700 0.845019 0.391334 Pd\n0.740700 0.654981 0.608666 Pd\n0.759301 0.345019 0.108666 Pd\n0.759301 0.154981 0.891334 Pd\n0.366101 0.040306 0.843522 Se\n0.366101 0.459694 0.156478 Se\n0.133900 0.540306 0.656478 Se\n0.133900 0.959694 0.343522 Se\n0.633900 0.959694 0.156478 Se\n0.633900 0.540306 0.843522 Se\n0.866101 0.459694 0.343522 Se\n0.866101 0.040306 0.656478 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"P",
"Pd",
"Se"
],
"chemical_system": "P-Pd-Se",
"density": 5.905398495519926,
"density_atomic": 0.049312488029955893,
"volume": 486.69213334806193,
"volume_molar": 12.212202224194662,
"formula_full": "P8 Pd8 Se8",
"formula_reduced": "PPdSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6638581888888893,
"spacegroup": 60
},
{
"id": "jvasp-4534",
"created_at": "2022-09-04T14:37:36.213287Z",
"updated_at": "2022-09-04T14:37:36.213314Z",
"structure_string": "P8 Pd8 S8\n1.0\n5.731121 0.000000 0.000000\n-0.000000 5.756243 0.000000\n0.000000 0.000000 13.588363\nP Pd S\n8 8 8\ndirect\n0.869039 0.217619 0.581248 P\n0.869039 0.282381 0.418751 P\n0.630961 0.782381 0.081248 P\n0.369038 0.217619 0.918751 P\n0.369038 0.282381 0.081248 P\n0.130961 0.717618 0.581248 P\n0.130961 0.782381 0.418751 P\n0.630961 0.717618 0.918751 P\n0.252015 0.660635 0.112079 Pd\n0.252015 0.839364 0.887921 Pd\n0.247984 0.160636 0.387921 Pd\n0.247984 0.339364 0.612079 Pd\n0.747984 0.339364 0.887921 Pd\n0.747984 0.160636 0.112079 Pd\n0.752015 0.839364 0.612079 Pd\n0.752015 0.660635 0.387921 Pd\n0.363671 0.953064 0.652640 S\n0.136329 0.046936 0.152640 S\n0.136329 0.453064 0.847359 S\n0.636329 0.453064 0.652640 S\n0.863671 0.546936 0.152640 S\n0.863671 0.953064 0.847359 S\n0.363671 0.546936 0.347360 S\n0.636329 0.046936 0.347360 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"P",
"Pd",
"S"
],
"chemical_system": "P-Pd-S",
"density": 5.021775302996859,
"density_atomic": 0.053538402015806646,
"volume": 448.27636045084523,
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"formula_full": "P8 Pd8 S8",
"formula_reduced": "PPdS",
"formula_anonymous": "ABC",
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"spacegroup": 60
},
{
"id": "jvasp-9375",
"created_at": "2022-09-04T14:38:32.575864Z",
"updated_at": "2022-09-04T14:38:32.575892Z",
"structure_string": "P2 Pd3 S8\n1.0\n3.458416 -5.990152 -0.000000\n3.458416 5.990152 -0.000000\n0.000000 -0.000000 7.335417\nP Pd S\n2 3 8\ndirect\n0.666667 0.333334 0.334145 P\n0.333334 0.666667 0.665855 P\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500001 0.500001 0.000000 Pd\n0.179170 0.358340 0.813098 S\n0.333334 0.666667 0.404176 S\n0.666667 0.333334 0.595825 S\n0.820831 0.641662 0.186903 S\n0.820831 0.179170 0.186903 S\n0.358340 0.179170 0.186903 S\n0.641662 0.820831 0.813098 S\n0.179170 0.820831 0.813098 S\n",
"nsites": 13,
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"elements": [
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"Pd",
"S"
],
"chemical_system": "P-Pd-S",
"density": 3.4842906957123074,
"density_atomic": 0.042773370611593385,
"volume": 303.9274159160245,
"volume_molar": 14.079182149764337,
"formula_full": "P2 Pd3 S8",
"formula_reduced": "P2Pd3S8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.441906007692308,
"spacegroup": 164
},
{
"id": "jvasp-16351",
"created_at": "2022-09-04T14:37:56.359656Z",
"updated_at": "2022-09-04T14:37:56.359682Z",
"structure_string": "Pr2 P2 Pd2\n1.0\n2.127190 -3.684402 -0.000000\n2.127190 3.684402 -0.000000\n0.000000 -0.000000 7.958300\nPr P Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
"nsites": 6,
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"elements": [
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"P",
"Pd"
],
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"density": 7.409193016035369,
"density_atomic": 0.04809807067309458,
"volume": 124.74512836034232,
"volume_molar": 12.520545368504157,
"formula_full": "Pr2 P2 Pd2",
"formula_reduced": "PrPPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.45318035,
"spacegroup": 194
},
{
"id": "jvasp-98681",
"created_at": "2022-09-04T14:35:45.095496Z",
"updated_at": "2022-09-04T14:35:45.095520Z",
"structure_string": "P4 Pd24\n1.0\n5.725170 -0.023249 0.000000\n-2.867537 7.807206 0.000000\n0.000000 0.000000 9.634771\nP Pd\n4 24\ndirect\n0.123031 0.749121 0.759918 P\n0.876969 0.750880 0.259918 P\n0.876969 0.250879 0.240082 P\n0.123031 0.249121 0.740082 P\n0.957443 0.934593 0.865069 Pd\n0.042557 0.565407 0.365069 Pd\n0.380169 0.248065 0.921208 Pd\n0.619831 0.251935 0.421209 Pd\n0.619831 0.751936 0.078791 Pd\n0.380169 0.748065 0.578791 Pd\n0.134296 0.748567 0.078695 Pd\n0.865704 0.751434 0.578695 Pd\n0.865704 0.251434 0.921304 Pd\n0.134296 0.248566 0.421304 Pd\n0.289145 0.064622 0.633881 Pd\n0.710855 0.935378 0.366119 Pd\n0.957443 0.434593 0.634930 Pd\n0.289144 0.564623 0.866118 Pd\n0.227094 0.933225 0.365890 Pd\n0.772906 0.566776 0.865890 Pd\n0.772906 0.066776 0.634110 Pd\n0.227094 0.433224 0.134110 Pd\n0.471775 0.432711 0.632820 Pd\n0.528225 0.067289 0.132820 Pd\n0.528224 0.567290 0.367179 Pd\n0.471775 0.932711 0.867179 Pd\n0.710855 0.435378 0.133881 Pd\n0.042557 0.065407 0.134930 Pd\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "P-Pd",
"density": 10.341378741175205,
"density_atomic": 0.06511497102992465,
"volume": 430.0086379080495,
"volume_molar": 9.248473376779092,
"formula_full": "P4 Pd24",
"formula_reduced": "PPd6",
"formula_anonymous": "AB6",
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"spacegroup": 14
},
{
"id": "jvasp-3978",
"created_at": "2022-09-04T14:36:40.745639Z",
"updated_at": "2022-09-04T14:36:40.745665Z",
"structure_string": "P4 Pd2\n1.0\n4.232091 -0.021460 -1.678016\n-1.254361 4.174698 -1.313492\n-0.011933 0.004450 5.855121\nP Pd\n4 2\ndirect\n0.023263 0.064184 0.334561 P\n0.229623 0.688703 0.165439 P\n0.770378 0.311298 0.834561 P\n0.976738 0.935817 0.665439 P\n0.500000 0.500000 0.500000 Pd\n0.500000 -0.000000 -0.000000 Pd\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "P-Pd",
"density": 5.416181793901236,
"density_atomic": 0.058117518832006394,
"volume": 103.23909417646523,
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"formula_full": "P4 Pd2",
"formula_reduced": "P2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1106089000000003,
"spacegroup": 15
},
{
"id": "jvasp-35222",
"created_at": "2022-09-04T14:37:36.693459Z",
"updated_at": "2022-09-04T14:37:36.693496Z",
"structure_string": "P12 Pd4\n1.0\n-4.129390 -4.129390 4.129390\n-4.129390 4.129390 -4.129390\n4.129390 -4.129390 -4.129390\nP Pd\n12 4\ndirect\n0.865029 0.636712 0.501741 P\n0.134971 0.363288 0.498259 P\n0.134971 0.636712 0.771683 P\n0.865029 0.363288 0.228317 P\n0.636712 0.501741 0.865029 P\n0.363288 0.498259 0.134971 P\n0.636712 0.771683 0.134971 P\n0.363288 0.228317 0.865029 P\n0.501741 0.865029 0.636712 P\n0.498259 0.134971 0.363288 P\n0.771683 0.134971 0.636712 P\n0.228317 0.865029 0.363288 P\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "P-Pd",
"density": 4.700982645888318,
"density_atomic": 0.056807056444172846,
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"formula_full": "P12 Pd4",
"formula_reduced": "P3Pd",
"formula_anonymous": "AB3",
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"spacegroup": 204
},
{
"id": "jvasp-78700",
"created_at": "2022-09-04T14:36:34.269691Z",
"updated_at": "2022-09-04T14:36:34.269718Z",
"structure_string": "P1 Pb1 W1\n1.0\n-0.000001 3.286301 3.286338\n3.286309 0.000008 3.286330\n3.286323 3.286308 -0.000008\nP Pb W\n1 1 1\ndirect\n0.499999 0.500001 0.500002 P\n0.250004 0.249997 0.250000 Pb\n0.999998 0.000002 -0.000000 W\n",
"nsites": 3,
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"elements": [
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],
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"density": 9.872265502081863,
"density_atomic": 0.0422631993414763,
"volume": 70.98374109732524,
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"formula_full": "P1 Pb1 W1",
"formula_reduced": "PPbW",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-27052",
"created_at": "2022-09-04T14:38:32.939119Z",
"updated_at": "2022-09-04T14:38:32.939151Z",
"structure_string": "Tl4 P4 Pb4 S16\n1.0\n6.614424 0.000000 0.000000\n0.000000 8.675909 0.000000\n0.000000 0.000000 12.496355\nTl P Pb S\n4 4 4 16\ndirect\n0.750000 0.624803 0.393805 Tl\n0.250000 0.375197 0.606195 Tl\n0.250000 0.124803 0.106195 Tl\n0.750000 0.875197 0.893805 Tl\n0.250000 0.873399 0.346998 P\n0.750000 0.126601 0.653003 P\n0.750000 0.373399 0.153003 P\n0.250000 0.626601 0.846998 P\n0.250000 0.607594 0.129838 Pb\n0.750000 0.392406 0.870163 Pb\n0.750000 0.107594 0.370162 Pb\n0.250000 0.892406 0.629838 Pb\n0.498427 0.863811 0.247929 S\n0.998426 0.136189 0.752072 S\n0.498427 0.636189 0.747929 S\n0.998426 0.363811 0.252071 S\n0.501573 0.136189 0.752072 S\n0.001573 0.863811 0.247929 S\n0.250000 0.421959 0.931848 S\n0.750000 0.314037 0.551567 S\n0.750000 0.921960 0.568152 S\n0.250000 0.078041 0.431848 S\n0.250000 0.814037 0.948434 S\n0.750000 0.185963 0.051566 S\n0.001573 0.636189 0.747929 S\n0.250000 0.685963 0.448434 S\n0.750000 0.578041 0.068152 S\n0.501573 0.363811 0.252071 S\n",
"nsites": 28,
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"elements": [
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"S"
],
"chemical_system": "P-Pb-S-Tl",
"density": 5.287077317839833,
"density_atomic": 0.039045200578861565,
"volume": 717.1175864098069,
"volume_molar": 15.42351088154043,
"formula_full": "Tl4 P4 Pb4 S16",
"formula_reduced": "TlPPbS4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-55527",
"created_at": "2022-09-04T14:37:06.262755Z",
"updated_at": "2022-09-04T14:37:06.262783Z",
"structure_string": "P4 Pb4 Se12\n1.0\n0.000000 7.046857 -0.001882\n7.700721 0.000000 0.000000\n0.000000 -6.723276 -9.809311\nP Pb Se\n4 4 12\ndirect\n0.879020 0.141133 0.715401 P\n0.879020 0.858867 0.215401 P\n0.126641 0.358849 0.842798 P\n0.126641 0.641151 0.342798 P\n0.785715 0.639957 0.526198 Pb\n0.219946 0.139972 0.532016 Pb\n0.219946 0.860028 0.032016 Pb\n0.785715 0.360043 0.026198 Pb\n0.112478 0.059392 0.223432 Se\n0.380192 0.247866 0.046810 Se\n0.726449 0.956052 0.324392 Se\n0.112478 0.940608 0.723432 Se\n0.625470 0.747884 0.011388 Se\n0.893178 0.559377 0.834757 Se\n0.726449 0.043948 0.824392 Se\n0.893178 0.440623 0.334757 Se\n0.380191 0.752134 0.546810 Se\n0.279211 0.543961 0.233807 Se\n0.625469 0.252116 0.511388 Se\n0.279211 0.456039 0.733807 Se\n",
"nsites": 20,
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"elements": [
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"Se"
],
"chemical_system": "P-Pb-Se",
"density": 5.926619003535259,
"density_atomic": 0.037565152344288026,
"volume": 532.4083293127148,
"volume_molar": 16.031189504588014,
"formula_full": "P4 Pb4 Se12",
"formula_reduced": "PPbSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5112732839999998,
"spacegroup": 14
},
{
"id": "jvasp-29218",
"created_at": "2022-09-04T14:37:47.931785Z",
"updated_at": "2022-09-04T14:37:47.931808Z",
"structure_string": "P4 Pb4 Se12\n1.0\n7.043924 0.000000 -0.204777\n0.000000 7.700419 0.000000\n-0.040970 0.000000 9.816773\nP Pb Se\n4 4 12\ndirect\n0.836377 0.141125 0.715400 P\n0.336377 0.858875 0.215401 P\n0.716159 0.358849 0.842789 P\n0.216159 0.641151 0.342789 P\n0.312098 0.139989 0.532078 Pb\n0.740467 0.639964 0.526173 Pb\n0.812098 0.860012 0.032078 Pb\n0.240467 0.360036 0.026173 Pb\n0.885938 0.252123 0.511389 Se\n0.441574 0.440620 0.334754 Se\n0.610950 0.940602 0.723428 Se\n0.597930 0.956084 0.324377 Se\n0.666594 0.247851 0.046798 Se\n0.110950 0.059399 0.223428 Se\n0.166594 0.752149 0.546798 Se\n0.454608 0.456069 0.733810 Se\n0.941574 0.559380 0.834754 Se\n0.954608 0.543931 0.233810 Se\n0.097930 0.043916 0.824377 Se\n0.385939 0.747877 0.011389 Se\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "P-Pb-Se",
"density": 5.926615861520076,
"density_atomic": 0.037565132429007664,
"volume": 532.4086115707679,
"volume_molar": 16.031198003576645,
"formula_full": "P4 Pb4 Se12",
"formula_reduced": "PPbSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.511267284,
"spacegroup": 14
}
]
}