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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=72",
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"results": [
{
"id": "jvasp-53094",
"created_at": "2022-09-04T14:36:06.202842Z",
"updated_at": "2022-09-04T14:36:06.202863Z",
"structure_string": "Cd3 As1 I3\n1.0\n0.000000 7.427256 -0.021753\n4.575404 0.000000 0.000000\n0.000000 -0.097946 -7.746333\nCd As I\n3 1 3\ndirect\n0.396769 0.500000 0.864201 Cd\n0.958054 0.000000 0.685427 Cd\n0.921914 0.500000 0.117869 Cd\n0.052620 0.500000 0.811726 As\n0.073514 0.000000 0.317539 I\n0.553488 0.000000 0.668455 I\n0.551640 0.500000 0.201449 I\n",
"nsites": 7,
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],
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"density": 5.0012654626242306,
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"volume": 263.25103418357,
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"formula_full": "Cd3 As1 I3",
"formula_reduced": "Cd3AsI3",
"formula_anonymous": "AB3C3",
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},
{
"id": "jvasp-85870",
"created_at": "2022-09-04T14:35:43.475959Z",
"updated_at": "2022-09-04T14:35:43.475979Z",
"structure_string": "La1 Zn5\n1.0\n5.478040 -0.000000 0.000000\n-2.739020 4.744122 0.000000\n0.000000 -0.000000 4.261491\nLa Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
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"elements": [
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"Zn"
],
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"density": 6.986283869665322,
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"volume": 110.7497165832594,
"volume_molar": 11.115839706574905,
"formula_full": "La1 Zn5",
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},
{
"id": "jvasp-3906",
"created_at": "2022-09-04T14:36:00.947163Z",
"updated_at": "2022-09-04T14:36:00.947186Z",
"structure_string": "Cd2 Br4\n1.0\n2.011894 -3.484702 0.000000\n2.011894 3.484702 0.000000\n0.000000 0.000000 12.547449\nCd Br\n2 4\ndirect\n0.666666 0.333332 0.124967 Cd\n0.333332 0.666666 0.624967 Cd\n0.000000 0.000000 0.250846 Br\n0.000000 0.000000 0.750846 Br\n0.333332 0.666666 -0.000813 Br\n0.666666 0.333332 0.499187 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 5.138559060793724,
"density_atomic": 0.03410319556500521,
"volume": 175.9365918822242,
"volume_molar": 17.658582019157127,
"formula_full": "Cd2 Br4",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-105626",
"created_at": "2022-09-04T14:35:44.357565Z",
"updated_at": "2022-09-04T14:35:44.357591Z",
"structure_string": "Na3 Sb1 I6\n1.0\n7.384719 -0.000000 4.263569\n2.461573 6.962380 4.263569\n-0.000000 0.000000 8.527138\nNa Sb I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751589 0.248411 0.248411 I\n0.248411 0.248411 0.751589 I\n0.248411 0.751589 0.751590 I\n0.248411 0.751589 0.248411 I\n0.751589 0.248411 0.751589 I\n0.751589 0.751589 0.248411 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Sb",
"I"
],
"chemical_system": "I-Na-Sb",
"density": 3.606303516716892,
"density_atomic": 0.022808935187682507,
"volume": 438.4246751422352,
"volume_molar": 26.402551063638132,
"formula_full": "Na3 Sb1 I6",
"formula_reduced": "Na3SbI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-65637",
"created_at": "2022-09-04T14:35:50.377590Z",
"updated_at": "2022-09-04T14:35:50.377609Z",
"structure_string": "Ba1 Tl1 Br2\n1.0\n4.166114 -0.000000 -0.000000\n0.000000 4.166114 -0.000000\n0.000000 0.000000 7.645792\nBa Tl Br\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Ba\n0.499999 0.499999 0.500000 Tl\n0.000000 0.000000 0.229527 Br\n0.000000 0.000000 0.770473 Br\n",
"nsites": 4,
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"elements": [
"Ba",
"Tl",
"Br"
],
"chemical_system": "Ba-Br-Tl",
"density": 6.2755400245841155,
"density_atomic": 0.030142218448355386,
"volume": 132.70423365995634,
"volume_molar": 19.979089363704677,
"formula_full": "Ba1 Tl1 Br2",
"formula_reduced": "BaTlBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-90637",
"created_at": "2022-09-04T14:35:42.923581Z",
"updated_at": "2022-09-04T14:35:42.923603Z",
"structure_string": "Y1 Mg6 Cu1\n1.0\n6.679825 -0.284874 0.000000\n-3.586621 5.642461 0.000000\n0.000000 0.000000 4.874415\nY Mg Cu\n1 6 1\ndirect\n0.195920 0.304080 0.250000 Y\n0.176335 0.823520 0.250000 Mg\n0.676480 0.323666 0.250000 Mg\n0.655033 0.844967 0.250000 Mg\n0.314115 0.682615 0.749999 Mg\n0.817385 0.185886 0.749999 Mg\n0.810465 0.689536 0.749999 Mg\n0.354265 0.145735 0.749999 Cu\n",
"nsites": 8,
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"elements": [
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"Mg",
"Cu"
],
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"density": 2.7711200504568447,
"density_atomic": 0.04475786914282976,
"volume": 178.7395189541012,
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"formula_full": "Y1 Mg6 Cu1",
"formula_reduced": "YMg6Cu",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94233",
"created_at": "2022-09-04T14:35:57.343812Z",
"updated_at": "2022-09-04T14:35:57.343828Z",
"structure_string": "Mg6 Cd1 Fe1\n1.0\n6.150779 0.023472 0.000000\n-3.055062 5.338466 0.000000\n0.000000 0.000000 4.883823\nMg Cd Fe\n6 1 1\ndirect\n0.166146 0.836395 0.250000 Mg\n0.663606 0.333854 0.250000 Mg\n0.665213 0.834788 0.250000 Mg\n0.328876 0.645832 0.749999 Mg\n0.854169 0.171124 0.749999 Mg\n0.834910 0.665091 0.749999 Mg\n0.330381 0.169619 0.749999 Cd\n0.156701 0.343300 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"Cd",
"Fe"
],
"chemical_system": "Cd-Fe-Mg",
"density": 3.245217093410348,
"density_atomic": 0.04977784209427706,
"volume": 160.71407806004024,
"volume_molar": 12.098035002389876,
"formula_full": "Mg6 Cd1 Fe1",
"formula_reduced": "Mg6CdFe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-91954",
"created_at": "2022-09-04T14:35:56.305731Z",
"updated_at": "2022-09-04T14:35:56.305761Z",
"structure_string": "Rb1 Mg6 Fe1\n1.0\n8.333731 0.337389 0.000000\n-3.874654 6.710679 0.000000\n0.000000 0.000000 4.008049\nRb Mg Fe\n1 6 1\ndirect\n0.073404 0.786688 0.250000 Rb\n0.628431 0.261965 0.250000 Mg\n0.628422 0.866474 0.250000 Mg\n0.316520 0.218881 0.750000 Mg\n0.316518 0.597630 0.750000 Mg\n0.918100 0.209047 0.750000 Mg\n0.672143 0.586082 0.750000 Mg\n0.446460 0.473231 0.250000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Fe"
],
"chemical_system": "Fe-Mg-Rb",
"density": 2.0786104965120438,
"density_atomic": 0.03487514922758951,
"volume": 229.38969946173737,
"volume_molar": 17.267713238158482,
"formula_full": "Rb1 Mg6 Fe1",
"formula_reduced": "RbMg6Fe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-93185",
"created_at": "2022-09-04T14:36:05.714844Z",
"updated_at": "2022-09-04T14:36:05.714869Z",
"structure_string": "K1 Sr1 Mg6\n1.0\n7.179241 0.231739 0.000000\n-3.388928 6.333274 0.000000\n0.000000 0.000000 5.347026\nK Sr Mg\n1 1 6\ndirect\n0.099959 0.400041 0.250000 K\n0.402042 0.097958 0.750001 Sr\n0.042535 0.877463 0.250000 Mg\n0.622537 0.457464 0.250000 Mg\n0.589261 0.910738 0.250000 Mg\n0.465170 0.625800 0.750001 Mg\n0.874200 0.034830 0.750001 Mg\n0.904296 0.595703 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Sr",
"Mg"
],
"chemical_system": "K-Mg-Sr",
"density": 1.829937150006322,
"density_atomic": 0.03234696852807265,
"volume": 247.31838450509255,
"volume_molar": 18.61732655031838,
"formula_full": "K1 Sr1 Mg6",
"formula_reduced": "KSrMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-91888",
"created_at": "2022-09-04T14:36:01.732166Z",
"updated_at": "2022-09-04T14:36:01.732194Z",
"structure_string": "Mg7 Sn1\n1.0\n6.370071 0.000000 0.000000\n-3.185036 5.516643 0.000000\n0.000000 0.000000 5.210654\nMg Sn\n7 1\ndirect\n0.164488 0.832243 0.250000 Mg\n0.667756 0.335511 0.250000 Mg\n0.667756 0.832243 0.250000 Mg\n0.335797 0.164202 0.749999 Mg\n0.335797 0.671596 0.749999 Mg\n0.828403 0.164202 0.749999 Mg\n0.833332 0.666667 0.749999 Mg\n0.166667 0.333333 0.250000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 2.619404459157343,
"density_atomic": 0.04368965324895635,
"volume": 183.10971603307706,
"volume_molar": 13.783906055935235,
"formula_full": "Mg7 Sn1",
"formula_reduced": "Mg7Sn",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-92871",
"created_at": "2022-09-04T14:35:41.846052Z",
"updated_at": "2022-09-04T14:35:41.846079Z",
"structure_string": "Mg6 Nb1 Cd1\n1.0\n6.299423 0.040427 0.000000\n-3.114701 5.394820 0.000000\n0.000000 0.000000 4.911869\nMg Nb Cd\n6 1 1\ndirect\n0.661132 0.328275 0.250000 Mg\n0.661132 0.832857 0.250000 Mg\n0.330050 0.176847 0.750000 Mg\n0.330050 0.653205 0.750000 Mg\n0.848333 0.174168 0.750000 Mg\n0.842905 0.671454 0.750000 Mg\n0.158856 0.329427 0.250000 Nb\n0.167542 0.833771 0.250000 Cd\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cd-Mg-Nb",
"density": 3.480229267851062,
"density_atomic": 0.047748453735439796,
"volume": 167.54469253236257,
"volume_molar": 12.612221525260102,
"formula_full": "Mg6 Nb1 Cd1",
"formula_reduced": "Mg6NbCd",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-59074",
"created_at": "2022-09-04T14:36:58.097488Z",
"updated_at": "2022-09-04T14:36:58.097500Z",
"structure_string": "Rb12 Br8 O2\n1.0\n9.264329 0.045283 0.218368\n0.214346 9.261959 0.218368\n0.046117 0.045283 9.266787\nRb Br O\n12 8 2\ndirect\n0.220468 0.560708 0.429726 Rb\n0.720468 0.929726 0.060708 Rb\n0.060708 0.720467 0.929726 Rb\n0.439293 0.570274 0.779533 Rb\n0.570275 0.779533 0.439293 Rb\n0.779533 0.439292 0.570275 Rb\n0.929726 0.060707 0.720468 Rb\n0.070275 0.939292 0.279533 Rb\n0.939293 0.279533 0.070274 Rb\n0.560708 0.429726 0.220467 Rb\n0.429726 0.220467 0.560708 Rb\n0.279533 0.070274 0.939293 Rb\n0.878571 0.621429 0.250000 Br\n0.250001 0.878570 0.621430 Br\n0.621430 0.250000 0.878571 Br\n0.121430 0.378570 0.750000 Br\n0.750000 0.121429 0.378571 Br\n0.378571 0.750000 0.121430 Br\n0.250000 0.250000 0.250000 Br\n0.750001 0.750000 0.750001 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Br-O-Rb",
"density": 3.5448171410170466,
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"volume": 794.8721482804089,
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"formula_full": "Rb12 Br8 O2",
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"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
}
]
}