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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1523",
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"results": [
{
"id": "jvasp-11363",
"created_at": "2022-09-04T14:37:04.651720Z",
"updated_at": "2022-09-04T14:37:04.651751Z",
"structure_string": "Rb2 Pt4 Se6\n1.0\n6.553829 -0.058135 4.470555\n2.331494 6.125372 4.470555\n-0.085137 -0.058135 7.932924\nRb Pt Se\n2 4 6\ndirect\n0.800052 0.800054 0.800053 Rb\n0.199947 0.199947 0.199947 Rb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000001 Pt\n-0.000001 0.500000 0.500000 Pt\n0.500000 0.000001 0.500000 Pt\n0.765666 0.765667 0.278876 Se\n0.765666 0.278876 0.765667 Se\n0.278874 0.765667 0.765667 Se\n0.234333 0.721125 0.234334 Se\n0.234333 0.234334 0.721125 Se\n0.721125 0.234334 0.234334 Se\n",
"nsites": 12,
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"elements": [
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"Pt",
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],
"chemical_system": "Pt-Rb-Se",
"density": 7.326285760470998,
"density_atomic": 0.03715279642594892,
"volume": 322.990492086317,
"volume_molar": 16.209118395712224,
"formula_full": "Rb2 Pt4 Se6",
"formula_reduced": "RbPt2Se3",
"formula_anonymous": "AB2C3",
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"spacegroup": 166
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{
"id": "jvasp-2841",
"created_at": "2022-09-04T14:37:01.122743Z",
"updated_at": "2022-09-04T14:37:01.122762Z",
"structure_string": "Rb2 Pt1 Se2\n1.0\n3.666979 0.000000 1.094964\n1.324954 6.065410 2.250543\n0.025105 0.022841 6.603673\nRb Pt Se\n2 1 2\ndirect\n0.197918 0.302082 0.302081 Rb\n0.802080 0.697918 0.697918 Rb\n0.000000 0.000000 0.000000 Pt\n0.499999 0.783095 0.216904 Se\n0.499999 0.216905 0.783095 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
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],
"chemical_system": "Pt-Rb-Se",
"density": 5.936488223663909,
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"volume": 146.55502404110098,
"volume_molar": 17.651499677213884,
"formula_full": "Rb2 Pt1 Se2",
"formula_reduced": "Rb2PtSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5586216266666665,
"spacegroup": 71
},
{
"id": "jvasp-2685",
"created_at": "2022-09-04T14:37:00.378639Z",
"updated_at": "2022-09-04T14:37:00.378668Z",
"structure_string": "Rb2 Pt1 S2\n1.0\n3.526533 0.000000 1.044122\n1.256718 5.850218 2.232931\n0.026900 0.017143 6.386654\nRb Pt S\n2 1 2\ndirect\n0.807678 0.692321 0.692321 Rb\n0.192321 0.307679 0.307678 Rb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.788255 0.211745 S\n0.500000 0.211745 0.788254 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pt",
"S"
],
"chemical_system": "Pt-Rb-S",
"density": 5.43236036521805,
"density_atomic": 0.038026815309945096,
"volume": 131.48616204766319,
"volume_molar": 15.836563516863949,
"formula_full": "Rb2 Pt1 S2",
"formula_reduced": "Rb2PtS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7582482799999998,
"spacegroup": 71
},
{
"id": "jvasp-2325",
"created_at": "2022-09-04T14:37:00.903791Z",
"updated_at": "2022-09-04T14:37:00.903806Z",
"structure_string": "Rb2 Pt3 S4\n1.0\n6.236610 -0.034393 -1.391363\n-3.518953 5.149122 -1.391363\n-0.073504 -0.138336 7.092878\nRb Pt S\n2 3 4\ndirect\n0.348369 0.348368 0.696738 Rb\n0.651632 0.651631 0.303263 Rb\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.714828 0.049055 0.763883 S\n0.285173 0.950944 0.236118 S\n0.950945 0.285173 0.236118 S\n0.049056 0.714826 0.763883 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Pt",
"S"
],
"chemical_system": "Pt-Rb-S",
"density": 6.54168728414855,
"density_atomic": 0.04008769483007571,
"volume": 224.5077956751898,
"volume_molar": 15.022417191925692,
"formula_full": "Rb2 Pt3 S4",
"formula_reduced": "Rb2Pt3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.6993582444444444,
"spacegroup": 69
},
{
"id": "jvasp-3957",
"created_at": "2022-09-04T14:36:35.865016Z",
"updated_at": "2022-09-04T14:36:35.865027Z",
"structure_string": "Rb2 Pt1 I6\n1.0\n6.868405 0.000000 3.965475\n2.289468 6.475594 3.965475\n0.000000 0.000000 7.930950\nRb Pt I\n2 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pt\n0.758419 0.241581 0.241581 I\n0.241581 0.758419 0.758419 I\n0.758419 0.241581 0.758419 I\n0.241581 0.758419 0.241580 I\n0.758419 0.758419 0.241580 I\n0.241581 0.241581 0.758419 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Pt",
"I"
],
"chemical_system": "I-Pt-Rb",
"density": 5.307430181312189,
"density_atomic": 0.025514190264670642,
"volume": 352.74488065812733,
"volume_molar": 23.603103596584937,
"formula_full": "Rb2 Pt1 I6",
"formula_reduced": "Rb2PtI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2739",
"created_at": "2022-09-04T14:37:01.616397Z",
"updated_at": "2022-09-04T14:37:01.616430Z",
"structure_string": "Rb2 Pt1 F6\n1.0\n2.989621 -5.178175 0.000000\n2.989621 5.178175 0.000000\n0.000000 0.000000 4.754605\nRb Pt F\n2 1 6\ndirect\n0.333333 0.666667 0.287792 Rb\n0.666667 0.333333 0.712209 Rb\n0.000000 0.000000 0.000000 Pt\n0.839642 0.679285 0.224280 F\n0.839642 0.160358 0.224280 F\n0.320715 0.160357 0.224280 F\n0.160357 0.320715 0.775721 F\n0.160358 0.839642 0.775721 F\n0.679285 0.839642 0.775721 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Pt",
"F"
],
"chemical_system": "F-Pt-Rb",
"density": 5.4145466826006725,
"density_atomic": 0.061137153149099455,
"volume": 147.20999484635914,
"volume_molar": 9.85021455826277,
"formula_full": "Rb2 Pt1 F6",
"formula_reduced": "Rb2PtF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-3657",
"created_at": "2022-09-04T14:35:56.937736Z",
"updated_at": "2022-09-04T14:35:56.937746Z",
"structure_string": "Rb2 Pt1 Cl6\n1.0\n6.049393 -0.000000 3.492619\n2.016464 5.703423 3.492619\n-0.000000 -0.000000 6.985237\nRb Pt Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Pt\n0.238153 0.761846 0.761848 Cl\n0.238153 0.761846 0.238154 Cl\n0.761846 0.238153 0.761848 Cl\n0.761846 0.238153 0.238154 Cl\n0.761846 0.761846 0.238154 Cl\n0.238153 0.238153 0.761847 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Pt",
"Cl"
],
"chemical_system": "Cl-Pt-Rb",
"density": 3.987514438028046,
"density_atomic": 0.037343410749486695,
"volume": 241.00637353066924,
"volume_molar": 16.126381171764756,
"formula_full": "Rb2 Pt1 Cl6",
"formula_reduced": "Rb2PtCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0307884227777777,
"spacegroup": 225
},
{
"id": "jvasp-10096",
"created_at": "2022-09-04T14:37:00.904280Z",
"updated_at": "2022-09-04T14:37:00.904311Z",
"structure_string": "Rb2 Pr2 Te8\n1.0\n6.989514 0.000000 0.000000\n0.000000 6.989514 -0.000000\n0.000000 0.000000 9.100749\nRb Pr Te\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.500000 Pr\n0.356373 0.856373 0.288330 Te\n0.143626 0.356373 0.288330 Te\n0.856373 0.643626 0.288330 Te\n0.356373 0.143626 0.711670 Te\n0.643626 0.856373 0.711670 Te\n0.643626 0.143626 0.288330 Te\n0.856373 0.356373 0.711670 Te\n0.143626 0.643626 0.711670 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Pr",
"Te"
],
"chemical_system": "Pr-Rb-Te",
"density": 5.5035528920824,
"density_atomic": 0.02699045160178359,
"volume": 444.6016753275448,
"volume_molar": 22.312115591285785,
"formula_full": "Rb2 Pr2 Te8",
"formula_reduced": "RbPrTe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.646260152777778,
"spacegroup": 125
},
{
"id": "jvasp-1705",
"created_at": "2022-09-04T14:35:44.605838Z",
"updated_at": "2022-09-04T14:35:44.605854Z",
"structure_string": "Rb1 Pr1 Se2\n1.0\n4.227873 -0.001195 7.175985\n1.955843 3.748279 7.175985\n-0.001971 -0.001195 8.328845\nRb Pr Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.500001 Pr\n0.235125 0.235126 0.235126 Se\n0.764872 0.764876 0.764875 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Pr",
"Se"
],
"chemical_system": "Pr-Rb-Se",
"density": 4.8314019198379725,
"density_atomic": 0.030284389200500028,
"volume": 132.08125062446217,
"volume_molar": 19.88529707543373,
"formula_full": "Rb1 Pr1 Se2",
"formula_reduced": "RbPrSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4266941458333334,
"spacegroup": 166
},
{
"id": "jvasp-1654",
"created_at": "2022-09-04T14:36:54.438063Z",
"updated_at": "2022-09-04T14:36:54.438099Z",
"structure_string": "Rb1 Pr1 S2\n1.0\n4.083461 -0.002944 6.910063\n1.886882 3.621372 6.910063\n-0.004858 -0.002944 8.026431\nRb Pr S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.500000 Pr\n0.766110 0.766112 0.766111 S\n0.233888 0.233889 0.233889 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Pr",
"S"
],
"chemical_system": "Pr-Rb-S",
"density": 4.05703004088719,
"density_atomic": 0.03364068520189813,
"volume": 118.90364230079076,
"volume_molar": 17.901361770301307,
"formula_full": "Rb1 Pr1 S2",
"formula_reduced": "RbPrS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6389849624999999,
"spacegroup": 166
},
{
"id": "jvasp-99411",
"created_at": "2022-09-04T14:36:37.144941Z",
"updated_at": "2022-09-04T14:36:37.144980Z",
"structure_string": "Rb1 Pr1 O2\n1.0\n3.552879 -0.001774 5.908682\n1.638296 3.152609 5.908682\n-0.002923 -0.001774 6.894597\nRb Pr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500002 0.499998 Pr\n0.228260 0.228261 0.228259 O\n0.771741 0.771742 0.771737 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Pr",
"O"
],
"chemical_system": "O-Pr-Rb",
"density": 5.5489052561528585,
"density_atomic": 0.05173315611444147,
"volume": 77.31985249752407,
"volume_molar": 11.640775882063188,
"formula_full": "Rb1 Pr1 O2",
"formula_reduced": "RbPrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6980092124999999,
"spacegroup": 166
},
{
"id": "jvasp-50022",
"created_at": "2022-09-04T14:37:15.214484Z",
"updated_at": "2022-09-04T14:37:15.214510Z",
"structure_string": "Rb4 Pr2 O6\n1.0\n5.720560 3.579889 0.000000\n-5.720560 3.579889 0.000000\n0.000000 0.000000 6.520727\nRb Pr O\n4 2 6\ndirect\n0.476351 0.812112 0.278247 Rb\n0.187888 0.523649 0.778247 Rb\n0.523649 0.187888 0.778247 Rb\n0.812112 0.476351 0.278247 Rb\n0.111098 0.111098 0.243399 Pr\n0.888902 0.888902 0.743399 Pr\n0.102099 0.840171 0.011410 O\n0.159830 0.897902 0.511410 O\n0.599009 0.599009 0.617289 O\n0.400991 0.400991 0.117289 O\n0.840171 0.102099 0.011410 O\n0.897902 0.159830 0.511410 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "O-Pr-Rb",
"density": 4.474620020522517,
"density_atomic": 0.04493110777607125,
"volume": 267.0755428467487,
"volume_molar": 13.403054271471099,
"formula_full": "Rb4 Pr2 O6",
"formula_reduced": "Rb2PrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9621383916666668,
"spacegroup": 36
}
]
}