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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3441",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3439",
"results": [
{
"id": "jvasp-2014",
"created_at": "2022-09-04T14:36:30.444076Z",
"updated_at": "2022-09-04T14:36:30.444099Z",
"structure_string": "Rb1 H1\n1.0\n3.648460 0.000000 2.106440\n1.216153 3.439802 2.106440\n0.000000 0.000000 4.212880\nRb H\n1 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"H"
],
"chemical_system": "H-Rb",
"density": 2.7159468195467986,
"density_atomic": 0.03782752029560513,
"volume": 52.87155976312737,
"volume_molar": 15.919998754715264,
"formula_full": "Rb1 H1",
"formula_reduced": "RbH",
"formula_anonymous": "AB",
"energy_above_hull": 0.4012599999999998,
"spacegroup": 225
},
{
"id": "jvasp-52872",
"created_at": "2022-09-04T14:37:00.884436Z",
"updated_at": "2022-09-04T14:37:00.884457Z",
"structure_string": "Rb2 H2 S2\n1.0\n0.000000 4.497098 0.029261\n5.151319 0.000000 0.000000\n0.000000 -1.450935 -6.693342\nRb H S\n2 2 2\ndirect\n0.766959 0.750000 0.237764 Rb\n0.233043 0.250000 0.762236 Rb\n0.471835 0.750000 0.602746 H\n0.528166 0.250000 0.397254 H\n0.737863 0.750000 0.740386 S\n0.262139 0.250000 0.259614 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"H",
"S"
],
"chemical_system": "H-Rb-S",
"density": 2.5425289306226135,
"density_atomic": 0.0387498857655342,
"volume": 154.83916614114653,
"volume_molar": 15.541054227716842,
"formula_full": "Rb2 H2 S2",
"formula_reduced": "RbHS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7596900000000003,
"spacegroup": 11
},
{
"id": "jvasp-78710",
"created_at": "2022-09-04T14:37:02.155663Z",
"updated_at": "2022-09-04T14:37:02.155688Z",
"structure_string": "Rb1 H1 S1\n1.0\n2.896404 -1.642587 2.733967\n-0.833016 3.223869 2.733967\n-0.317682 -0.243456 6.883559\nRb H S\n1 1 1\ndirect\n0.629820 0.370178 0.000001 Rb\n0.096184 0.903814 0.000001 H\n0.641992 0.358005 0.500002 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"H",
"S"
],
"chemical_system": "H-Rb-S",
"density": 3.1972284002203084,
"density_atomic": 0.04872795498319853,
"volume": 61.566302157240216,
"volume_molar": 12.358697922119742,
"formula_full": "Rb1 H1 S1",
"formula_reduced": "RbHS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8302200000000002,
"spacegroup": 38
},
{
"id": "jvasp-52914",
"created_at": "2022-09-04T14:37:01.547788Z",
"updated_at": "2022-09-04T14:37:01.547819Z",
"structure_string": "Rb8 Zn4 H16\n1.0\n6.002009 0.000000 0.000000\n0.000000 8.078171 0.000000\n0.000000 0.000000 10.562090\nRb Zn H\n8 4 16\ndirect\n0.750000 0.339038 0.094164 Rb\n0.750000 0.839038 0.405836 Rb\n0.250000 0.660962 0.905836 Rb\n0.250000 0.160962 0.594164 Rb\n0.750000 0.016430 0.813692 Rb\n0.750000 0.516430 0.686308 Rb\n0.250000 0.983570 0.186308 Rb\n0.250000 0.483570 0.313692 Rb\n0.250000 0.240702 0.917336 Zn\n0.250000 0.740702 0.582664 Zn\n0.750000 0.759298 0.082664 Zn\n0.750000 0.259298 0.417336 Zn\n0.750000 0.192951 0.568000 H\n0.750000 0.692951 0.932000 H\n0.250000 0.034591 0.907452 H\n0.250000 0.534591 0.592548 H\n0.750000 0.965409 0.092548 H\n0.750000 0.465409 0.407452 H\n0.977106 0.683318 0.153152 H\n0.522894 0.683318 0.153152 H\n0.477106 0.316682 0.846848 H\n0.022894 0.816682 0.653152 H\n0.022894 0.316682 0.846848 H\n0.477106 0.816682 0.653152 H\n0.250000 0.307049 0.068000 H\n0.977106 0.183318 0.346848 H\n0.522894 0.183318 0.346848 H\n0.250000 0.807049 0.432000 H\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"H"
],
"chemical_system": "H-Rb-Zn",
"density": 3.117750050463676,
"density_atomic": 0.05467622009674515,
"volume": 512.105627463937,
"volume_molar": 11.014186330628394,
"formula_full": "Rb8 Zn4 H16",
"formula_reduced": "Rb2ZnH4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0700014857142857,
"spacegroup": 62
},
{
"id": "jvasp-121101",
"created_at": "2022-09-04T14:38:49.917342Z",
"updated_at": "2022-09-04T14:38:49.917367Z",
"structure_string": "Rb1 Zn1 H2\n1.0\n3.388986 0.000000 0.000000\n0.000000 3.388986 0.000000\n0.000000 -0.000000 5.782845\nRb Zn H\n1 1 2\ndirect\n0.500001 0.500001 0.562465 Rb\n0.000000 0.000000 0.061878 Zn\n0.000000 0.000000 0.355816 H\n0.500001 0.500001 0.029844 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"H"
],
"chemical_system": "H-Rb-Zn",
"density": 3.8225633308642317,
"density_atomic": 0.0602252886153453,
"volume": 66.4172823736507,
"volume_molar": 9.999355583769786,
"formula_full": "Rb1 Zn1 H2",
"formula_reduced": "RbZnH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6955300999999999,
"spacegroup": 99
},
{
"id": "jvasp-121103",
"created_at": "2022-09-04T14:38:53.851085Z",
"updated_at": "2022-09-04T14:38:53.851104Z",
"structure_string": "Rb1 Zn1 H3\n1.0\n3.955386 -0.000000 0.000000\n0.000000 3.955386 -0.000000\n0.000000 0.000000 3.955386\nRb Zn H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 Zn\n0.500001 0.000000 0.500001 H\n0.500001 0.500001 0.000000 H\n0.000000 0.500001 0.500001 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"H"
],
"chemical_system": "H-Rb-Zn",
"density": 4.129741336776381,
"density_atomic": 0.08079851673454086,
"volume": 61.88232410784505,
"volume_molar": 7.453281326667687,
"formula_full": "Rb1 Zn1 H3",
"formula_reduced": "RbZnH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0909100799999998,
"spacegroup": 221
},
{
"id": "jvasp-121102",
"created_at": "2022-09-04T14:38:53.813697Z",
"updated_at": "2022-09-04T14:38:53.813734Z",
"structure_string": "Rb1 Zn1 H1\n1.0\n4.160893 0.000000 0.000000\n0.000000 4.160893 -0.000000\n0.000000 -0.000000 7.704624\nRb Zn H\n1 1 1\ndirect\n0.000000 0.000000 -0.079639 Rb\n0.000000 0.000000 0.480304 Zn\n0.000000 0.000000 0.257578 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"H"
],
"chemical_system": "H-Rb-Zn",
"density": 1.8907699646168044,
"density_atomic": 0.022490375680211602,
"volume": 133.3903907456549,
"volume_molar": 26.77652363672451,
"formula_full": "Rb1 Zn1 H1",
"formula_reduced": "RbZnH",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1565534666666669,
"spacegroup": 99
},
{
"id": "jvasp-39485",
"created_at": "2022-09-04T14:37:55.525854Z",
"updated_at": "2022-09-04T14:37:55.525881Z",
"structure_string": "Re2 H6\n1.0\n2.297555 -3.979481 0.000000\n2.297555 3.979481 0.000000\n0.000000 0.000000 2.829125\nRe H\n2 6\ndirect\n0.666666 0.333332 0.250000 Re\n0.333332 0.666666 0.750001 Re\n0.823360 0.646722 0.750001 H\n0.823360 0.176638 0.750001 H\n0.353276 0.176638 0.750001 H\n0.176638 0.353276 0.250000 H\n0.176638 0.823360 0.250000 H\n0.646722 0.823360 0.250000 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"H"
],
"chemical_system": "H-Re",
"density": 12.147767753907655,
"density_atomic": 0.1546377431733413,
"volume": 51.733812430464624,
"volume_molar": 3.894353756346196,
"formula_full": "Re2 H6",
"formula_reduced": "ReH3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.801317,
"spacegroup": 194
},
{
"id": "jvasp-18411",
"created_at": "2022-09-04T14:35:43.032852Z",
"updated_at": "2022-09-04T14:35:43.032878Z",
"structure_string": "H1 Rh1\n1.0\n2.478946 -0.000000 1.431220\n0.826316 2.337173 1.431220\n-0.000000 0.000000 2.862440\nH Rh\n1 1\ndirect\n0.500002 0.499999 0.499999 H\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"Rh"
],
"chemical_system": "H-Rh",
"density": 10.40462663850194,
"density_atomic": 0.1205967701463018,
"volume": 16.584192077231446,
"volume_molar": 4.993616953998228,
"formula_full": "H1 Rh1",
"formula_reduced": "HRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.8824465,
"spacegroup": 225
},
{
"id": "jvasp-8818",
"created_at": "2022-09-04T14:36:44.534804Z",
"updated_at": "2022-09-04T14:36:44.534824Z",
"structure_string": "Sr2 H5 Rh1\n1.0\n5.394804 0.042831 -0.060573\n2.734495 4.650621 -0.060573\n2.660309 1.535930 4.344265\nSr H Rh\n2 5 1\ndirect\n0.251266 0.251266 0.248734 Sr\n0.751265 0.751265 0.748735 Sr\n0.231102 0.780955 0.219045 H\n0.780955 0.231103 0.219045 H\n0.231102 0.780955 0.768898 H\n0.780955 0.231102 0.768898 H\n0.755931 0.755932 0.244068 H\n0.994417 0.994418 0.005583 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"H",
"Rh"
],
"chemical_system": "H-Rh-Sr",
"density": 4.295399091259623,
"density_atomic": 0.07307584706229221,
"volume": 109.47529616975281,
"volume_molar": 8.240945540961752,
"formula_full": "Sr2 H5 Rh1",
"formula_reduced": "Sr2H5Rh",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.0533007025,
"spacegroup": 107
},
{
"id": "jvasp-3732",
"created_at": "2022-09-04T14:35:57.060961Z",
"updated_at": "2022-09-04T14:35:57.060988Z",
"structure_string": "Sr2 H6 Ru1\n1.0\n3.794606 3.794606 0.000000\n0.000000 3.794606 3.794606\n3.794606 0.000000 3.794606\nSr H Ru\n2 6 1\ndirect\n0.750001 0.750001 0.750001 Sr\n0.250000 0.250000 0.250000 Sr\n0.228821 0.771180 0.771180 H\n0.228821 0.228821 0.771180 H\n0.228821 0.771180 0.228821 H\n0.771180 0.228821 0.228821 H\n0.771180 0.771180 0.228821 H\n0.771180 0.228821 0.771180 H\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"H",
"Ru"
],
"chemical_system": "H-Ru-Sr",
"density": 4.290605428267475,
"density_atomic": 0.08235926203101317,
"volume": 109.27732689750138,
"volume_molar": 7.3120382717031935,
"formula_full": "Sr2 H6 Ru1",
"formula_reduced": "Sr2H6Ru",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.401250346666667,
"spacegroup": 225
},
{
"id": "jvasp-103335",
"created_at": "2022-09-04T14:36:42.254212Z",
"updated_at": "2022-09-04T14:36:42.254234Z",
"structure_string": "Yb2 H6 Ru1\n1.0\n4.321925 0.000000 2.495265\n1.440641 4.074751 2.495265\n-0.000000 0.000000 4.990530\nYb H Ru\n2 6 1\ndirect\n0.250000 0.250000 0.249999 Yb\n0.750001 0.750000 0.749998 Yb\n0.756389 0.243612 0.243611 H\n0.756389 0.756388 0.243610 H\n0.243612 0.756388 0.243611 H\n0.756389 0.243612 0.756387 H\n0.243612 0.243612 0.756388 H\n0.243612 0.756388 0.756387 H\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"H",
"Ru"
],
"chemical_system": "H-Ru-Yb",
"density": 8.562720442426102,
"density_atomic": 0.10240414541782605,
"volume": 87.88706710337256,
"volume_molar": 5.880758767556389,
"formula_full": "Yb2 H6 Ru1",
"formula_reduced": "Yb2H6Ru",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.3348424333333337,
"spacegroup": 225
}
]
}