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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4633",
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"results": [
{
"id": "jvasp-12363",
"created_at": "2022-09-04T14:38:34.515655Z",
"updated_at": "2022-09-04T14:38:34.515672Z",
"structure_string": "Sr4 Ca4 Pb4\n1.0\n5.191215 -0.000000 0.000000\n0.000000 8.433141 0.000000\n0.000000 0.000000 9.623409\nSr Ca Pb\n4 4 4\ndirect\n0.750001 0.979378 0.683178 Sr\n0.250000 0.020622 0.316823 Sr\n0.750001 0.479378 0.816823 Sr\n0.250000 0.520622 0.183178 Sr\n0.750001 0.850118 0.071641 Ca\n0.250000 0.149881 0.928359 Ca\n0.750001 0.350119 0.428359 Ca\n0.250000 0.649881 0.571641 Ca\n0.750001 0.736325 0.392109 Pb\n0.250000 0.263675 0.607891 Pb\n0.750001 0.236325 0.107891 Pb\n0.250000 0.763675 0.892109 Pb\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.280004845477282,
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"volume": 421.2959863493743,
"volume_molar": 21.142531095158088,
"formula_full": "Sr4 Ca4 Pb4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-21714",
"created_at": "2022-09-04T14:38:34.531569Z",
"updated_at": "2022-09-04T14:38:34.531581Z",
"structure_string": "Sm2 Zn6 Ge3\n1.0\n3.821767 -6.619496 -0.000000\n3.821767 6.619496 0.000000\n-0.000000 -0.000000 4.060666\nSm Zn Ge\n2 6 3\ndirect\n0.666667 0.333333 0.000000 Sm\n0.333333 0.666667 0.000000 Sm\n0.000000 0.285087 0.500000 Zn\n0.285087 0.000000 0.500000 Zn\n0.000000 0.809895 0.000000 Zn\n0.190106 0.190106 0.000000 Zn\n0.714914 0.714914 0.500000 Zn\n0.809895 0.000000 0.000000 Zn\n0.000000 0.612347 0.500000 Ge\n0.387653 0.387653 0.500000 Ge\n0.612347 0.000000 0.500000 Ge\n",
"nsites": 11,
"nelements": 3,
"elements": [
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],
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"density": 7.363696646903701,
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"volume": 205.4548486840519,
"volume_molar": 11.247981987271467,
"formula_full": "Sm2 Zn6 Ge3",
"formula_reduced": "Sm2(Zn2Ge)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-110484",
"created_at": "2022-09-04T14:38:40.043776Z",
"updated_at": "2022-09-04T14:38:40.043803Z",
"structure_string": "Zn3 Si1\n1.0\n3.618156 0.000228 -3.259684\n-0.716518 3.546499 -3.259684\n-0.000186 -0.000228 4.869969\nZn Si\n3 1\ndirect\n0.750000 0.250000 0.500001 Zn\n0.249999 0.750000 0.500001 Zn\n0.500000 0.500000 0.000001 Zn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Si-Zn",
"density": 5.961026475653514,
"density_atomic": 0.06401451639632709,
"volume": 62.48582704640263,
"volume_molar": 9.407461149461293,
"formula_full": "Zn3 Si1",
"formula_reduced": "Zn3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-58946",
"created_at": "2022-09-04T14:38:34.475738Z",
"updated_at": "2022-09-04T14:38:34.475748Z",
"structure_string": "Na6 Y2 Br12\n1.0\n0.000000 7.092632 -0.016140\n7.681112 0.000000 0.000000\n0.000000 -6.959507 -10.664495\nNa Y Br\n6 2 12\ndirect\n0.500000 0.500000 0.000000 Na\n0.706042 0.595487 0.744009 Na\n0.293957 0.095487 0.755991 Na\n0.499999 0.000000 0.500000 Na\n0.706042 0.904513 0.244009 Na\n0.293957 0.404513 0.255991 Na\n-0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.092276 0.442235 0.741864 Br\n0.907722 0.942235 0.758136 Br\n0.907723 0.557765 0.258136 Br\n0.092277 0.057765 0.241864 Br\n0.757855 0.188400 0.422974 Br\n0.393155 0.178314 0.071236 Br\n0.242144 0.811600 0.577026 Br\n0.757854 0.311600 0.922973 Br\n0.606844 0.821686 0.928764 Br\n0.606845 0.678314 0.428764 Br\n0.242145 0.688400 0.077026 Br\n0.393154 0.321686 0.571236 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Y",
"Br"
],
"chemical_system": "Br-Na-Y",
"density": 3.63752642853573,
"density_atomic": 0.0343727053597206,
"volume": 581.8570226199552,
"volume_molar": 17.52012446205937,
"formula_full": "Na6 Y2 Br12",
"formula_reduced": "Na3YBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-110386",
"created_at": "2022-09-04T14:38:38.908769Z",
"updated_at": "2022-09-04T14:38:38.908779Z",
"structure_string": "Rb2 Na1 Y1 Br6\n1.0\n6.841645 0.000000 3.950025\n2.280548 6.450364 3.950025\n-0.000000 -0.000000 7.900050\nRb Na Y Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.752651 0.247348 0.247349 Br\n0.247348 0.247348 0.752652 Br\n0.247348 0.752651 0.752653 Br\n0.247348 0.752651 0.247349 Br\n0.752651 0.247348 0.752653 Br\n0.752652 0.752651 0.247349 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Na",
"Y",
"Br"
],
"chemical_system": "Br-Na-Rb-Y",
"density": 3.6305707594632306,
"density_atomic": 0.028683054713400512,
"volume": 348.63790136439246,
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"formula_full": "Rb2 Na1 Y1 Br6",
"formula_reduced": "Rb2NaYBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110836",
"created_at": "2022-09-04T14:38:38.915689Z",
"updated_at": "2022-09-04T14:38:38.915734Z",
"structure_string": "Nd2 Zn1 Hg1\n1.0\n4.600537 -0.000000 2.656121\n1.533512 4.337428 2.656121\n-0.000000 -0.000000 5.312243\nNd Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.749999 Nd\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.499999 Hg\n",
"nsites": 4,
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"elements": [
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"Zn",
"Hg"
],
"chemical_system": "Hg-Nd-Zn",
"density": 8.685975369940724,
"density_atomic": 0.03773473043087179,
"volume": 106.00314231283055,
"volume_molar": 15.959146100254436,
"formula_full": "Nd2 Zn1 Hg1",
"formula_reduced": "Nd2ZnHg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-110372",
"created_at": "2022-09-04T14:38:38.924294Z",
"updated_at": "2022-09-04T14:38:38.924310Z",
"structure_string": "Na3 Rh1 F6\n1.0\n5.052274 -0.000000 2.916932\n1.684091 4.763329 2.916932\n-0.000000 -0.000000 5.833862\nNa Rh F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750000 0.750000 Na\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Rh\n0.239979 0.239979 0.760021 F\n0.239979 0.760021 0.760020 F\n0.760020 0.760021 0.239979 F\n0.239979 0.760021 0.239979 F\n0.760020 0.239979 0.760021 F\n0.760020 0.239979 0.239979 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Rh",
"F"
],
"chemical_system": "F-Na-Rh",
"density": 3.381090548565512,
"density_atomic": 0.07122728225337635,
"volume": 140.39564172092184,
"volume_molar": 8.4548231653392,
"formula_full": "Na3 Rh1 F6",
"formula_reduced": "Na3RhF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110477",
"created_at": "2022-09-04T14:38:38.962322Z",
"updated_at": "2022-09-04T14:38:38.962337Z",
"structure_string": "Tl3 Cl1\n1.0\n4.936005 -0.000000 -0.000000\n0.000000 4.936005 -0.000000\n0.000000 0.000000 4.936005\nTl Cl\n3 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Cl"
],
"chemical_system": "Cl-Tl",
"density": 8.955734513682643,
"density_atomic": 0.033260840412045654,
"volume": 120.2615433178102,
"volume_molar": 18.10579854686726,
"formula_full": "Tl3 Cl1",
"formula_reduced": "Tl3Cl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-110609",
"created_at": "2022-09-04T14:38:38.894629Z",
"updated_at": "2022-09-04T14:38:38.894641Z",
"structure_string": "Ca2 Zn3 Ag1\n1.0\n4.481469 0.038442 3.624106\n2.094267 3.962208 3.624106\n0.005712 0.003475 7.318939\nCa Zn Ag\n2 3 1\ndirect\n0.547721 0.547720 0.699482 Ca\n0.452684 0.452683 0.297086 Ca\n0.828344 0.828342 0.732490 Zn\n0.842590 0.842590 0.099783 Zn\n0.166841 0.166839 0.886593 Zn\n0.161825 0.161824 0.284571 Ag\n",
"nsites": 6,
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"elements": [
"Ca",
"Zn",
"Ag"
],
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"density": 4.93634901840799,
"density_atomic": 0.04641867919675549,
"volume": 129.25830945270368,
"volume_molar": 12.973528898730336,
"formula_full": "Ca2 Zn3 Ag1",
"formula_reduced": "Ca2Zn3Ag",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-36935",
"created_at": "2022-09-04T14:38:34.412128Z",
"updated_at": "2022-09-04T14:38:34.412157Z",
"structure_string": "K2 Ca2 Cl6\n1.0\n-6.448339 0.000000 3.253360\n-4.044873 5.983680 -0.000000\n-6.404533 0.029612 -4.676975\nK Ca Cl\n2 2 6\ndirect\n0.859242 0.859242 0.422274 K\n0.140758 0.140758 0.577725 K\n0.659058 0.659058 0.022825 Ca\n0.340940 0.340941 0.977177 Ca\n0.466812 0.702050 0.767851 Cl\n0.063283 0.466813 0.767851 Cl\n0.702051 0.063284 0.767852 Cl\n0.533187 0.297949 0.232149 Cl\n0.297949 0.936715 0.232148 Cl\n0.936715 0.533187 0.232148 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Ca",
"Cl"
],
"chemical_system": "Ca-Cl-K",
"density": 2.0219243379887533,
"density_atomic": 0.03281400621241877,
"volume": 304.74791573042995,
"volume_molar": 18.352348448452677,
"formula_full": "K2 Ca2 Cl6",
"formula_reduced": "KCaCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-116959",
"created_at": "2022-09-04T14:38:44.730266Z",
"updated_at": "2022-09-04T14:38:44.730289Z",
"structure_string": "Ce6 Mg23 P1\n1.0\n8.804424 0.000000 5.083237\n2.934808 8.300891 5.083237\n-0.000000 -0.000000 10.166473\nCe Mg P\n6 23 1\ndirect\n0.800538 0.800538 0.199462 Ce\n0.199462 0.800538 0.199462 Ce\n0.800538 0.199462 0.199462 Ce\n0.199462 0.199462 0.800538 Ce\n0.800538 0.199462 0.800539 Ce\n0.199462 0.800538 0.800538 Ce\n0.378992 0.863023 0.378993 Mg\n0.863022 0.378992 0.378993 Mg\n0.378992 0.378992 0.378993 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.378992 0.378992 0.863023 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.621007 0.621008 0.621008 Mg\n0.621007 0.621008 0.136978 Mg\n0.621007 0.136977 0.621008 Mg\n0.500000 0.500000 0.500000 Mg\n0.169878 0.169878 0.169878 Mg\n0.490366 0.169878 0.169879 Mg\n0.169878 0.490366 0.169878 Mg\n0.169878 0.169878 0.490366 Mg\n0.830122 0.830122 0.830122 Mg\n0.509634 0.830122 0.830122 Mg\n0.830121 0.509634 0.830122 Mg\n0.830122 0.830122 0.509634 Mg\n0.136977 0.621008 0.621008 Mg\n0.000000 0.000000 0.000000 P\n",
"nsites": 30,
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"elements": [
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"Mg",
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],
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"density": 3.1974007857623628,
"density_atomic": 0.04037618513053626,
"volume": 743.0122460309206,
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"formula_full": "Ce6 Mg23 P1",
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"formula_anonymous": "AB6C23",
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"spacegroup": 225
},
{
"id": "jvasp-33867",
"created_at": "2022-09-04T14:38:34.400234Z",
"updated_at": "2022-09-04T14:38:34.400269Z",
"structure_string": "Ho2 Br6\n1.0\n9.574858 -0.000000 -0.000000\n-4.787428 8.292070 0.000000\n0.000000 0.000000 3.720998\nHo Br\n2 6\ndirect\n0.333334 0.666667 0.750000 Ho\n0.666667 0.333334 0.250001 Ho\n0.206773 0.413546 0.250001 Br\n0.586454 0.793227 0.250001 Br\n0.206774 0.793227 0.250001 Br\n0.793226 0.586454 0.750000 Br\n0.413547 0.206775 0.750000 Br\n0.793227 0.206775 0.750000 Br\n",
"nsites": 8,
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"elements": [
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],
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"volume": 295.43009772893373,
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"formula_full": "Ho2 Br6",
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"formula_anonymous": "AB3",
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"spacegroup": 194
}
]
}