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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1544",
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"results": [
{
"id": "jvasp-105422",
"created_at": "2022-09-04T14:36:46.982850Z",
"updated_at": "2022-09-04T14:36:46.982865Z",
"structure_string": "Pd1 Au1\n1.0\n2.753079 0.003616 4.086647\n1.250810 2.452536 4.086647\n0.005895 0.003616 4.927483\nPd Au\n1 1\ndirect\n0.499998 0.500002 0.500000 Pd\n0.000000 0.000000 0.000000 Au\n",
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"elements": [
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"volume": 33.16700760727891,
"volume_molar": 9.986819419951221,
"formula_full": "Pd1 Au1",
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{
"id": "jvasp-20773",
"created_at": "2022-09-04T14:38:33.762884Z",
"updated_at": "2022-09-04T14:38:33.762901Z",
"structure_string": "Pd14 Se8\n1.0\n5.380415 0.000000 0.000000\n0.000000 7.059075 0.000000\n0.000000 0.000000 10.380220\nPd Se\n14 8\ndirect\n0.663292 0.870816 0.632993 Pd\n0.647874 0.687119 0.917691 Pd\n0.647874 0.312881 0.082309 Pd\n0.352127 0.187119 0.582309 Pd\n0.993581 0.586540 0.726341 Pd\n0.993581 0.413461 0.273659 Pd\n0.006420 0.086539 0.773659 Pd\n0.352127 0.812882 0.417691 Pd\n0.675947 0.500000 0.500000 Pd\n0.324054 0.000000 0.000000 Pd\n0.336709 0.629185 0.132993 Pd\n0.336709 0.370815 0.867007 Pd\n0.663292 0.129185 0.367007 Pd\n0.006420 0.913461 0.226341 Pd\n0.315989 0.175545 0.219837 Se\n0.998366 0.000000 0.500000 Se\n0.001635 0.500000 0.000000 Se\n0.172258 0.500000 0.500000 Se\n0.827743 0.000000 0.000000 Se\n0.684011 0.675546 0.280163 Se\n0.684011 0.324455 0.719837 Se\n0.315989 0.824455 0.780163 Se\n",
"nsites": 22,
"nelements": 2,
"elements": [
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"Se"
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"density": 8.935817430134446,
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"volume": 394.24857207304103,
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"formula_full": "Pd14 Se8",
"formula_reduced": "Pd7Se4",
"formula_anonymous": "A4B7",
"energy_above_hull": 1.8721075787878787,
"spacegroup": 18
},
{
"id": "jvasp-57871",
"created_at": "2022-09-04T14:38:35.800022Z",
"updated_at": "2022-09-04T14:38:35.800046Z",
"structure_string": "Pd14 Se4\n1.0\n0.000000 5.647103 0.000425\n5.425134 0.000000 0.000000\n0.000000 -0.612492 -9.509900\nPd Se\n14 4\ndirect\n0.207303 0.083394 0.425156 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.792697 0.916606 0.574845 Pd\n0.207303 0.416606 0.925156 Pd\n0.573109 0.842181 0.293237 Pd\n0.426891 0.157819 0.706763 Pd\n0.426890 0.342181 0.206763 Pd\n0.968328 0.102329 0.148203 Pd\n0.031671 0.602328 0.351797 Pd\n0.031672 0.897671 0.851797 Pd\n0.968328 0.397671 0.648203 Pd\n0.792697 0.583393 0.074845 Pd\n0.573109 0.657818 0.793237 Pd\n0.225011 0.771446 0.621375 Se\n0.774989 0.228553 0.378625 Se\n0.225011 0.728553 0.121375 Se\n0.774989 0.271447 0.878625 Se\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Pd",
"Se"
],
"chemical_system": "Pd-Se",
"density": 10.291756014425264,
"density_atomic": 0.0617820737069729,
"volume": 291.3466466886894,
"volume_molar": 9.747391757295977,
"formula_full": "Pd14 Se4",
"formula_reduced": "Pd7Se2",
"formula_anonymous": "A2B7",
"energy_above_hull": 1.8837107370370372,
"spacegroup": 14
},
{
"id": "jvasp-21512",
"created_at": "2022-09-04T14:38:33.460394Z",
"updated_at": "2022-09-04T14:38:33.460425Z",
"structure_string": "Pd8 Se2\n1.0\n5.321514 0.000000 0.000000\n0.000000 5.321514 -0.000000\n0.000000 -0.000000 5.717012\nPd Se\n8 2\ndirect\n0.625818 0.769072 0.846723 Pd\n0.730927 0.874181 0.346723 Pd\n0.269072 0.125818 0.346723 Pd\n0.230927 0.625818 0.153277 Pd\n0.874181 0.269072 0.653277 Pd\n0.125818 0.730927 0.653277 Pd\n0.374181 0.230927 0.846723 Pd\n0.769072 0.374181 0.153277 Pd\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pd",
"Se"
],
"chemical_system": "Pd-Se",
"density": 10.35192800411906,
"density_atomic": 0.06176756460024421,
"volume": 161.89726865093954,
"volume_molar": 9.749681404754933,
"formula_full": "Pd8 Se2",
"formula_reduced": "Pd4Se",
"formula_anonymous": "AB4",
"energy_above_hull": 1.6902392333333331,
"spacegroup": 114
},
{
"id": "jvasp-87013",
"created_at": "2022-09-04T14:36:04.902234Z",
"updated_at": "2022-09-04T14:36:04.902257Z",
"structure_string": "Pd8 S2\n1.0\n5.192164 0.000000 0.000000\n0.000000 5.192164 0.000000\n-0.000000 0.000000 5.646508\nPd S\n8 2\ndirect\n0.768248 0.355014 0.843343 Pd\n0.855013 0.268249 0.343343 Pd\n0.144986 0.731751 0.343343 Pd\n0.644985 0.768248 0.156658 Pd\n0.268249 0.144986 0.656658 Pd\n0.731751 0.855013 0.656658 Pd\n0.231751 0.644985 0.843343 Pd\n0.355014 0.231751 0.156658 Pd\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 9.986790769163985,
"density_atomic": 0.0656936283010824,
"volume": 152.22176425038828,
"volume_molar": 9.167008910513742,
"formula_full": "Pd8 S2",
"formula_reduced": "Pd4S",
"formula_anonymous": "AB4",
"energy_above_hull": 1.78791656,
"spacegroup": 114
},
{
"id": "jvasp-100498",
"created_at": "2022-09-04T14:36:37.547104Z",
"updated_at": "2022-09-04T14:36:37.547131Z",
"structure_string": "Pd3 W1\n1.0\n3.551591 -0.006971 -3.317130\n-0.674704 3.486921 -3.317130\n0.005763 0.006971 4.859744\nPd W\n3 1\ndirect\n0.750000 0.250000 0.499999 Pd\n0.250000 0.750000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pd",
"W"
],
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"density": 13.848537603569945,
"density_atomic": 0.06630716978546754,
"volume": 60.32530136547428,
"volume_molar": 9.082186405307658,
"formula_full": "Pd3 W1",
"formula_reduced": "Pd3W",
"formula_anonymous": "AB3",
"energy_above_hull": 3.208296775,
"spacegroup": 139
},
{
"id": "jvasp-25034",
"created_at": "2022-09-04T14:38:30.631779Z",
"updated_at": "2022-09-04T14:38:30.631794Z",
"structure_string": "Pd6 S2\n1.0\n4.597477 0.008992 0.000000\n-1.443637 4.364949 0.000000\n0.000000 0.000000 6.398531\nPd S\n6 2\ndirect\n0.147284 0.538491 0.750000 Pd\n0.535748 0.150039 0.750000 Pd\n0.998629 0.001371 0.000000 Pd\n0.998629 0.001371 0.500000 Pd\n0.461509 0.852716 0.250000 Pd\n0.849961 0.464252 0.250000 Pd\n0.309422 0.312183 0.250000 S\n0.687818 0.690578 0.750000 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 9.080887394316456,
"density_atomic": 0.06226301246217237,
"volume": 128.48719783451477,
"volume_molar": 9.67209989021769,
"formula_full": "Pd6 S2",
"formula_reduced": "Pd3S",
"formula_anonymous": "AB3",
"energy_above_hull": 1.666936775,
"spacegroup": 63
},
{
"id": "jvasp-104864",
"created_at": "2022-09-04T14:36:56.741926Z",
"updated_at": "2022-09-04T14:36:56.741943Z",
"structure_string": "Pd3 Rh1\n1.0\n3.577597 0.007818 -3.172398\n-0.718704 3.504672 -3.172398\n-0.006363 -0.007818 4.781556\nPd Rh\n3 1\ndirect\n0.750001 0.250000 0.500001 Pd\n0.250001 0.749999 0.500001 Pd\n0.500001 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pd",
"Rh"
],
"chemical_system": "Pd-Rh",
"density": 11.722325030009522,
"density_atomic": 0.06688703021879729,
"volume": 59.80232620457828,
"volume_molar": 9.003450654485174,
"formula_full": "Pd3 Rh1",
"formula_reduced": "Pd3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 1.985572525,
"spacegroup": 139
},
{
"id": "jvasp-8501",
"created_at": "2022-09-04T14:37:07.109074Z",
"updated_at": "2022-09-04T14:37:07.109106Z",
"structure_string": "Pd3 Pb2 S2\n1.0\n5.167730 -0.028147 2.678108\n1.616176 4.908584 2.678108\n-0.039125 -0.028147 5.820323\nPd Pb S\n3 2 2\ndirect\n0.000001 -0.000000 0.500000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.000001 0.500000 0.000000 Pd\n0.500001 0.499999 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.719643 0.719640 0.719642 S\n0.280359 0.280358 0.280358 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Pb",
"S"
],
"chemical_system": "Pb-Pd-S",
"density": 8.909585833317383,
"density_atomic": 0.047077985452383196,
"volume": 148.68945501247322,
"volume_molar": 12.79184039446859,
"formula_full": "Pd3 Pb2 S2",
"formula_reduced": "Pd3(PbS)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.4499798200000005,
"spacegroup": 166
},
{
"id": "jvasp-17936",
"created_at": "2022-09-04T14:37:27.591590Z",
"updated_at": "2022-09-04T14:37:27.591623Z",
"structure_string": "Pd3 Pb1 C1\n1.0\n4.291520 -0.000000 0.000000\n-0.000000 4.291520 -0.000000\n-0.000000 -0.000000 4.291520\nPd Pb C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Pb",
"C"
],
"chemical_system": "C-Pb-Pd",
"density": 11.31299908046907,
"density_atomic": 0.06326107706870499,
"volume": 79.03754143435982,
"volume_molar": 9.519503996840944,
"formula_full": "Pd3 Pb1 C1",
"formula_reduced": "Pd3PbC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.441581584,
"spacegroup": 221
},
{
"id": "jvasp-17852",
"created_at": "2022-09-04T14:38:12.428711Z",
"updated_at": "2022-09-04T14:38:12.428729Z",
"structure_string": "Pd3 Pb1\n1.0\n4.108499 0.000000 -0.000000\n-0.000000 4.108499 0.000000\n-0.000000 -0.000000 4.108499\nPd Pb\n3 1\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 12.6056405801013,
"density_atomic": 0.05767803211607489,
"volume": 69.35049364982059,
"volume_molar": 10.440960863367646,
"formula_full": "Pd3 Pb1",
"formula_reduced": "Pd3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2402719800000002,
"spacegroup": 221
},
{
"id": "jvasp-92767",
"created_at": "2022-09-04T14:36:00.492928Z",
"updated_at": "2022-09-04T14:36:00.492955Z",
"structure_string": "Pd3 N2\n1.0\n2.728765 -0.828308 0.730853\n-2.081718 3.605642 0.000000\n1.151811 0.664998 8.304885\nPd N\n3 2\ndirect\n0.368989 0.184494 0.315433 Pd\n0.631011 0.815505 0.684567 Pd\n0.000000 0.000000 0.000000 Pd\n0.550552 0.275276 0.724777 N\n0.449448 0.724723 0.275224 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
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"N"
],
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"density": 9.103611231613717,
"density_atomic": 0.07893381451047002,
"volume": 63.34420844867171,
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"formula_full": "Pd3 N2",
"formula_reduced": "Pd3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.37717872,
"spacegroup": 123
}
]
}