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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1301",
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"results": [
{
"id": "jvasp-36888",
"created_at": "2022-09-04T14:38:07.945165Z",
"updated_at": "2022-09-04T14:38:07.945192Z",
"structure_string": "Rb1 Pb1 Br3\n1.0\n5.925411 0.002075 0.087697\n0.003986 5.892528 -0.001785\n0.100657 0.004813 5.942322\nRb Pb Br\n1 1 3\ndirect\n-0.071873 -0.000538 0.952137 Rb\n0.515058 0.500095 0.500526 Pb\n0.563979 0.000128 0.479155 Br\n0.021184 0.499652 0.554846 Br\n0.531651 0.500661 0.003335 Br\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.261899803153916,
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"volume": 207.4280243553553,
"volume_molar": 24.983215204733156,
"formula_full": "Rb1 Pb1 Br3",
"formula_reduced": "RbPbBr3",
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"spacegroup": 6
},
{
"id": "jvasp-117853",
"created_at": "2022-09-04T14:38:54.060393Z",
"updated_at": "2022-09-04T14:38:54.060429Z",
"structure_string": "Rb1 Pb1 Br3\n1.0\n5.898627 0.000505 0.002349\n0.000693 5.949437 -0.085166\n-0.003347 -0.093977 5.932829\nRb Pb Br\n1 1 3\ndirect\n0.006022 -0.035651 0.070863 Rb\n0.505989 0.512563 0.483209 Pb\n0.506024 0.567217 0.977000 Br\n0.505970 0.015326 0.465408 Br\n0.005998 0.490542 0.433519 Br\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Br-Pb-Rb",
"density": 4.246982051886633,
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"volume": 208.1566263685949,
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"formula_full": "Rb1 Pb1 Br3",
"formula_reduced": "RbPbBr3",
"formula_anonymous": "ABC3",
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"spacegroup": 6
},
{
"id": "jvasp-36964",
"created_at": "2022-09-04T14:38:03.896798Z",
"updated_at": "2022-09-04T14:38:03.896830Z",
"structure_string": "Rb2 Pb2 Br6\n1.0\n0.000000 4.441303 0.003186\n11.329881 0.000000 0.000000\n0.000000 -2.215194 -7.138474\nRb Pb Br\n2 2 6\ndirect\n0.750105 0.009551 0.500204 Rb\n0.249895 0.509551 0.499795 Rb\n0.999987 0.759544 -0.000014 Pb\n0.000012 0.259544 0.000013 Pb\n0.642164 0.707683 0.284354 Br\n0.357835 0.207683 0.715645 Br\n0.642197 0.311382 0.284396 Br\n0.357802 0.811382 0.715603 Br\n0.068663 0.009541 0.137277 Br\n0.931336 0.509541 0.862721 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Pb",
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],
"chemical_system": "Br-Pb-Rb",
"density": 4.92329905311273,
"density_atomic": 0.0278455342517368,
"volume": 359.12401283434787,
"volume_molar": 21.626953555844896,
"formula_full": "Rb2 Pb2 Br6",
"formula_reduced": "RbPbBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-117852",
"created_at": "2022-09-04T14:38:54.053513Z",
"updated_at": "2022-09-04T14:38:54.053541Z",
"structure_string": "Rb1 Pb1 Br1\n1.0\n3.774352 -0.000000 0.000000\n0.000000 3.774352 -0.000000\n0.000000 -0.000000 9.396031\nRb Pb Br\n1 1 1\ndirect\n0.000000 0.000000 -0.028403 Rb\n0.000000 0.000000 0.591846 Pb\n0.000000 0.000000 0.299527 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.6219988763767885,
"density_atomic": 0.02241258826007911,
"volume": 133.85334907274162,
"volume_molar": 26.869456977115515,
"formula_full": "Rb1 Pb1 Br1",
"formula_reduced": "RbPbBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0682166666666666,
"spacegroup": 99
},
{
"id": "jvasp-117850",
"created_at": "2022-09-04T14:38:53.155359Z",
"updated_at": "2022-09-04T14:38:53.155381Z",
"structure_string": "Rb1 Pb1 Br1\n1.0\n6.013203 -0.703303 0.000000\n-0.685677 6.290329 0.000000\n0.000000 0.000000 3.562082\nRb Pb Br\n1 1 1\ndirect\n0.013876 0.447964 0.000000 Rb\n0.421751 0.001978 0.000000 Pb\n-0.106093 -0.077708 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.651022524237662,
"density_atomic": 0.022553327166926537,
"volume": 133.01806770219554,
"volume_molar": 26.701784244194375,
"formula_full": "Rb1 Pb1 Br1",
"formula_reduced": "RbPbBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-12480",
"created_at": "2022-09-04T14:38:11.053355Z",
"updated_at": "2022-09-04T14:38:11.053378Z",
"structure_string": "Rb2 Pb4 Br10\n1.0\n7.565556 0.000000 -3.796652\n-1.905289 7.321716 -3.796652\n-0.041312 -0.053439 9.353913\nRb Pb Br\n2 4 10\ndirect\n0.250000 0.250000 0.500000 Rb\n0.750001 0.750000 0.500001 Rb\n0.336743 0.163257 0.000000 Pb\n0.163257 0.663257 0.000000 Pb\n0.663257 0.836744 0.000001 Pb\n0.836744 0.336743 0.000001 Pb\n0.208721 0.708721 0.724519 Br\n0.484203 0.984204 0.275482 Br\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.791279 0.291279 0.275481 Br\n0.984204 0.791279 0.275482 Br\n0.291279 0.484203 0.275481 Br\n0.015797 0.208721 0.724519 Br\n0.515797 0.015797 0.724519 Br\n0.708722 0.515797 0.724520 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 5.799089768936765,
"density_atomic": 0.031063739028242724,
"volume": 515.0699980273791,
"volume_molar": 19.386400183586247,
"formula_full": "Rb2 Pb4 Br10",
"formula_reduced": "RbPb2Br5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.01625487875,
"spacegroup": 140
},
{
"id": "jvasp-100776",
"created_at": "2022-09-04T14:36:39.335554Z",
"updated_at": "2022-09-04T14:36:39.335575Z",
"structure_string": "Rb1 Pa1 O3\n1.0\n4.404411 -0.000000 0.000000\n0.000000 4.404411 0.000000\n0.000000 0.000000 4.404411\nRb Pa O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pa\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pa",
"O"
],
"chemical_system": "O-Pa-Rb",
"density": 7.084110947380949,
"density_atomic": 0.05852029254187652,
"volume": 85.44044779718166,
"volume_molar": 10.290688064641198,
"formula_full": "Rb1 Pa1 O3",
"formula_reduced": "RbPaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.68599072,
"spacegroup": 221
},
{
"id": "jvasp-78402",
"created_at": "2022-09-04T14:37:08.811953Z",
"updated_at": "2022-09-04T14:37:08.811973Z",
"structure_string": "Rb1 P1\n1.0\n0.000000 -4.898355 0.000000\n3.629643 -2.449177 -2.200911\n3.285800 -2.449177 2.692831\nRb P\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"P"
],
"chemical_system": "P-Rb",
"density": 2.3211895106046554,
"density_atomic": 0.02400951984537519,
"volume": 83.3002914210818,
"volume_molar": 25.08230401433875,
"formula_full": "Rb1 P1",
"formula_reduced": "RbP",
"formula_anonymous": "AB",
"energy_above_hull": 0.9295335,
"spacegroup": 225
},
{
"id": "jvasp-78455",
"created_at": "2022-09-04T14:37:15.742366Z",
"updated_at": "2022-09-04T14:37:15.742389Z",
"structure_string": "Rb1 P1\n1.0\n2.723305 2.449687 3.242274\n2.723305 -2.449687 3.242274\n4.885963 0.000000 -0.425251\nRb P\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.499999 0.500001 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "P-Rb",
"density": 2.3215325909675215,
"density_atomic": 0.02401306854087944,
"volume": 83.28798115056533,
"volume_molar": 25.078597305246557,
"formula_full": "Rb1 P1",
"formula_reduced": "RbP",
"formula_anonymous": "AB",
"energy_above_hull": 0.9295635,
"spacegroup": 225
},
{
"id": "jvasp-21537",
"created_at": "2022-09-04T14:36:38.320988Z",
"updated_at": "2022-09-04T14:36:38.321019Z",
"structure_string": "Rb2 Os4 O12\n1.0\n6.259001 -0.000000 3.613635\n2.086334 5.901042 3.613635\n0.000000 0.000000 7.227272\nRb Os O\n2 4 12\ndirect\n0.625000 0.625000 0.625001 Rb\n0.375000 0.375000 0.375001 Rb\n-0.000000 0.500000 0.000001 Os\n0.000000 0.000000 0.000000 Os\n-0.000000 -0.000000 0.500000 Os\n0.500000 0.000000 0.000000 Os\n0.065752 0.684247 0.065753 O\n0.684247 0.065753 0.684248 O\n0.684247 0.065753 0.065753 O\n0.315752 0.934247 0.934248 O\n0.934247 0.315752 0.315753 O\n0.315752 0.934247 0.315754 O\n0.315752 0.315752 0.934248 O\n0.934247 0.934247 0.315754 O\n0.934247 0.315752 0.934248 O\n0.065752 0.684247 0.684248 O\n0.684247 0.684247 0.065754 O\n0.065753 0.065753 0.684247 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Os",
"O"
],
"chemical_system": "O-Os-Rb",
"density": 6.9911513254498585,
"density_atomic": 0.06743174192138755,
"volume": 266.93660117789244,
"volume_molar": 8.930721034940277,
"formula_full": "Rb2 Os4 O12",
"formula_reduced": "Rb(OsO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.1983190000000006,
"spacegroup": 227
},
{
"id": "jvasp-36963",
"created_at": "2022-09-04T14:38:08.033848Z",
"updated_at": "2022-09-04T14:38:08.033876Z",
"structure_string": "Rb2 Os2 O6\n1.0\n-5.078316 -0.000000 2.179333\n-3.006783 4.636598 0.000000\n-5.037766 0.026297 -4.732629\nRb Os O\n2 2 6\ndirect\n0.863274 0.863274 0.410178 Rb\n0.136727 0.136725 0.589822 Rb\n0.665720 0.665719 0.002841 Os\n0.334280 0.334280 0.997162 Os\n0.467898 0.650136 0.826272 O\n0.055694 0.467898 0.826272 O\n0.650136 0.055696 0.826271 O\n0.532103 0.349865 0.173728 O\n0.349865 0.944305 0.173729 O\n0.944304 0.532102 0.173730 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "O-Os-Rb",
"density": 6.629059665753249,
"density_atomic": 0.06166454084604151,
"volume": 162.16775253329303,
"volume_molar": 9.765970324883371,
"formula_full": "Rb2 Os2 O6",
"formula_reduced": "RbOsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3393651,
"spacegroup": 148
},
{
"id": "jvasp-35638",
"created_at": "2022-09-04T14:37:37.531331Z",
"updated_at": "2022-09-04T14:37:37.531358Z",
"structure_string": "Rb1 Os1 O3\n1.0\n3.972327 -0.000003 0.000031\n-0.000007 3.972332 0.000020\n-0.000019 -0.000029 3.972496\nRb Os O\n1 1 3\ndirect\n0.000004 0.987978 0.001990 Rb\n0.499998 0.488004 0.502000 Os\n-0.000001 0.488000 0.502007 O\n0.500001 0.988009 0.501996 O\n0.499996 0.488011 0.002007 O\n",
"nsites": 5,
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"volume": 62.68360996765411,
"volume_molar": 7.549790451403043,
"formula_full": "Rb1 Os1 O3",
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"formula_anonymous": "ABC3",
"energy_above_hull": 2.3417251,
"spacegroup": 221
}
]
}