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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3837",
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"results": [
{
"id": "jvasp-58479",
"created_at": "2022-09-04T14:36:59.519674Z",
"updated_at": "2022-09-04T14:36:59.519695Z",
"structure_string": "Zn2 Fe4 S8\n1.0\n6.056659 -0.000000 -3.179823\n-1.669447 5.822034 -3.179823\n-0.279618 -0.371066 6.825425\nZn Fe S\n2 4 8\ndirect\n0.374999 0.624999 0.750000 Zn\n0.625000 0.375000 0.250000 Zn\n-0.000000 -0.000000 0.500000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.763810 0.791350 0.527620 S\n0.763730 0.236189 0.972381 S\n0.208649 0.236189 0.972381 S\n0.236189 0.208649 0.472381 S\n0.236189 0.763730 0.472380 S\n0.236268 0.763810 0.027620 S\n0.763810 0.236269 0.527620 S\n0.791350 0.763810 0.027620 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 4.4796134918745425,
"density_atomic": 0.061841321544314626,
"volume": 226.38584768871402,
"volume_molar": 9.738053148952545,
"formula_full": "Zn2 Fe4 S8",
"formula_reduced": "Zn(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.0187573428571426,
"spacegroup": 227
},
{
"id": "jvasp-99499",
"created_at": "2022-09-04T14:36:33.846460Z",
"updated_at": "2022-09-04T14:36:33.846493Z",
"structure_string": "Zn3 Fe1 S4\n1.0\n3.779541 0.000891 12.151989\n1.846896 3.297561 12.151989\n0.001520 0.000891 12.726184\nZn Fe S\n3 1 4\ndirect\n-0.000244 -0.000244 -0.000244 Zn\n0.750183 0.750182 0.750182 Zn\n0.500598 0.500597 0.500597 Zn\n0.249652 0.249651 0.249651 Fe\n0.062325 0.062325 0.062325 S\n0.812698 0.812696 0.812697 S\n0.563248 0.563247 0.563247 S\n0.311546 0.311545 0.311545 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 3.9844036591723424,
"density_atomic": 0.05047093526389985,
"volume": 158.50706863603793,
"volume_molar": 11.931898484765021,
"formula_full": "Zn3 Fe1 S4",
"formula_reduced": "Zn3FeS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8268270874999999,
"spacegroup": 160
},
{
"id": "jvasp-58503",
"created_at": "2022-09-04T14:36:32.917156Z",
"updated_at": "2022-09-04T14:36:32.917170Z",
"structure_string": "Zn1 Fe4 S8\n1.0\n5.727460 -0.094263 4.219156\n2.080288 5.337143 4.219156\n-0.140376 -0.094263 7.112340\nZn Fe S\n1 4 8\ndirect\n0.500000 0.500001 0.500000 Zn\n0.500001 0.999999 0.500002 Fe\n0.999999 0.500001 0.500002 Fe\n0.500000 0.500000 0.000001 Fe\n0.000000 0.000000 0.000000 Fe\n0.758132 0.267286 0.758133 S\n0.241866 0.241868 0.732715 S\n0.241867 0.732715 0.241867 S\n0.732713 0.241868 0.241868 S\n0.261165 0.261167 0.261166 S\n0.738834 0.738835 0.738835 S\n0.267286 0.758134 0.758133 S\n0.758133 0.758134 0.267287 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 4.051956246495067,
"density_atomic": 0.05817231357201756,
"volume": 223.47400682123373,
"volume_molar": 10.35224557906669,
"formula_full": "Zn1 Fe4 S8",
"formula_reduced": "Zn(FeS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.548544030769231,
"spacegroup": 166
},
{
"id": "jvasp-99900",
"created_at": "2022-09-04T14:36:20.632611Z",
"updated_at": "2022-09-04T14:36:20.632635Z",
"structure_string": "Zn2 Fe1 S3\n1.0\n3.813921 0.000000 -0.000000\n-1.906961 3.302953 -0.000000\n-0.000000 0.000000 9.399401\nZn Fe S\n2 1 3\ndirect\n0.666667 0.333333 0.333178 Zn\n0.333333 0.666666 0.668792 Zn\n0.000000 0.000000 -0.001100 Fe\n0.000000 0.000000 0.246397 S\n0.666667 0.333333 0.583373 S\n0.333333 0.666666 0.919361 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 3.96682735002078,
"density_atomic": 0.05067304304074492,
"volume": 118.40615127801878,
"volume_molar": 11.884308497434716,
"formula_full": "Zn2 Fe1 S3",
"formula_reduced": "Zn2FeS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.99655105,
"spacegroup": 156
},
{
"id": "jvasp-107724",
"created_at": "2022-09-04T14:38:48.149540Z",
"updated_at": "2022-09-04T14:38:48.149568Z",
"structure_string": "Zn4 Fe1 S5\n1.0\n3.800460 0.002022 15.360699\n1.873715 3.306463 15.360699\n0.003468 0.002022 15.823860\nZn Fe S\n4 1 5\ndirect\n0.000341 0.000341 0.000341 Zn\n0.600028 0.600027 0.600029 Zn\n0.199726 0.199726 0.199726 Zn\n0.799407 0.799405 0.799409 Zn\n0.400393 0.400393 0.400394 Fe\n0.950268 0.950266 0.950270 S\n0.549985 0.549984 0.549986 S\n0.149694 0.149694 0.149694 S\n0.749254 0.749252 0.749255 S\n0.350905 0.350904 0.350906 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 3.9960878151921464,
"density_atomic": 0.05036563651508002,
"volume": 198.5480715012088,
"volume_molar": 11.956844342068239,
"formula_full": "Zn4 Fe1 S5",
"formula_reduced": "Zn4FeS5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.7153807099999999,
"spacegroup": 160
},
{
"id": "jvasp-17828",
"created_at": "2022-09-04T14:38:13.708753Z",
"updated_at": "2022-09-04T14:38:13.708772Z",
"structure_string": "Zn1 Fe1 Sb1\n1.0\n3.809327 -0.000000 2.199316\n1.269775 3.591467 2.199316\n0.000000 0.000000 4.398631\nZn Fe Sb\n1 1 1\ndirect\n0.750001 0.750001 0.750000 Zn\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-Zn",
"density": 6.705678468292279,
"density_atomic": 0.049852115073180124,
"volume": 60.1779883480604,
"volume_molar": 12.080010549521987,
"formula_full": "Zn1 Fe1 Sb1",
"formula_reduced": "ZnFeSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1834473333333333,
"spacegroup": 216
},
{
"id": "jvasp-110119",
"created_at": "2022-09-04T14:37:59.950639Z",
"updated_at": "2022-09-04T14:37:59.950671Z",
"structure_string": "Zn4 Fe1 Se5\n1.0\n4.008196 0.001508 16.186967\n1.975559 3.487522 16.186967\n0.002587 0.001508 16.675836\nZn Fe Se\n4 1 5\ndirect\n0.399741 0.399740 0.399740 Zn\n0.800013 0.800012 0.800011 Zn\n0.200221 0.200220 0.200220 Zn\n0.600467 0.600466 0.600465 Zn\n-0.000314 -0.000314 -0.000314 Fe\n0.049119 0.049119 0.049119 Se\n0.449809 0.449809 0.449808 Se\n0.850041 0.850040 0.850038 Se\n0.250256 0.250256 0.250256 Se\n0.650654 0.650654 0.650652 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"Se"
],
"chemical_system": "Fe-Se-Zn",
"density": 5.079303261685546,
"density_atomic": 0.04294411786242807,
"volume": 232.8607617936199,
"volume_molar": 14.023202850020093,
"formula_full": "Zn4 Fe1 Se5",
"formula_reduced": "Zn4FeSe5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.4316323933333331,
"spacegroup": 160
},
{
"id": "jvasp-75859",
"created_at": "2022-09-04T14:36:10.112435Z",
"updated_at": "2022-09-04T14:36:10.112468Z",
"structure_string": "Zn1 Ga1 As1\n1.0\n0.000000 3.144961 3.144961\n3.144961 0.000000 3.144961\n3.144961 3.144961 0.000000\nZn Ga As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"As"
],
"chemical_system": "As-Ga-Zn",
"density": 5.606649903080539,
"density_atomic": 0.048222027501636955,
"volume": 62.212232778851146,
"volume_molar": 12.488360759604252,
"formula_full": "Zn1 Ga1 As1",
"formula_reduced": "ZnGaAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1322748250000001,
"spacegroup": 216
},
{
"id": "jvasp-101418",
"created_at": "2022-09-04T14:36:56.326071Z",
"updated_at": "2022-09-04T14:36:56.326091Z",
"structure_string": "Zn1 Ga1 Co2\n1.0\n3.517172 -0.000000 2.030640\n1.172391 3.316021 2.030640\n-0.000000 -0.000000 4.061280\nZn Ga Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Zn",
"density": 8.869375526598192,
"density_atomic": 0.08444737991088672,
"volume": 47.36677448395686,
"volume_molar": 7.131234582239114,
"formula_full": "Zn1 Ga1 Co2",
"formula_reduced": "ZnGaCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.09513613125,
"spacegroup": 225
},
{
"id": "jvasp-79073",
"created_at": "2022-09-04T14:36:36.408812Z",
"updated_at": "2022-09-04T14:36:36.408831Z",
"structure_string": "Zn1 Ga1 Ir2\n1.0\n0.000000 3.042553 3.042553\n3.042553 0.000000 3.042553\n3.042553 3.042553 -0.000000\nZn Ga Ir\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Zn\n0.250001 0.250001 0.250001 Ga\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Zn",
"density": 15.316000386882527,
"density_atomic": 0.07100935029766807,
"volume": 56.33060974691609,
"volume_molar": 8.480771524813916,
"formula_full": "Zn1 Ga1 Ir2",
"formula_reduced": "ZnGaIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7236537312499998,
"spacegroup": 225
},
{
"id": "jvasp-119228",
"created_at": "2022-09-04T14:38:49.923527Z",
"updated_at": "2022-09-04T14:38:49.923540Z",
"structure_string": "Zn6 Ga4 N8\n1.0\n6.394453 -0.004368 -0.451940\n-6.879124 6.380427 0.000001\n-0.005315 -0.005731 5.355307\nZn Ga N\n6 4 8\ndirect\n0.228471 0.962447 0.099538 Zn\n0.771530 0.733976 0.400462 Zn\n0.771529 0.037553 0.900463 Zn\n0.228470 0.266024 0.599538 Zn\n0.000000 0.657164 0.750000 Zn\n0.000000 0.342836 0.250000 Zn\n0.573775 0.398959 0.134283 Ga\n0.426225 0.825184 0.365718 Ga\n0.573775 0.174816 0.634283 Ga\n0.426225 0.601041 0.865718 Ga\n0.377247 0.769656 0.994792 N\n0.201092 0.888987 0.487281 N\n0.798909 0.687895 0.012719 N\n0.798908 0.111013 0.512720 N\n0.201091 0.312105 0.987281 N\n0.622753 0.230344 0.005208 N\n0.377247 0.607591 0.494792 N\n0.622752 0.392409 0.505208 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"N"
],
"chemical_system": "Ga-N-Zn",
"density": 5.959102113085567,
"density_atomic": 0.08245573923334838,
"volume": 218.29893428109713,
"volume_molar": 7.303482833326425,
"formula_full": "Zn6 Ga4 N8",
"formula_reduced": "Zn3(GaN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.9622732055555556,
"spacegroup": 15
},
{
"id": "jvasp-109091",
"created_at": "2022-09-04T14:38:18.014773Z",
"updated_at": "2022-09-04T14:38:18.014792Z",
"structure_string": "Zn1 Ga1 Ni2\n1.0\n3.543290 -0.000000 2.045720\n1.181097 3.340646 2.045720\n-0.000000 -0.000000 4.091439\nZn Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500001 0.500000 Ga\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750001 0.750000 Ni\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Zn",
"density": 8.658239167466833,
"density_atomic": 0.08259366830231943,
"volume": 48.42986250905713,
"volume_molar": 7.291286225424721,
"formula_full": "Zn1 Ga1 Ni2",
"formula_reduced": "ZnGaNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}