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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4394",
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"results": [
{
"id": "jvasp-108999",
"created_at": "2022-09-04T14:37:46.540336Z",
"updated_at": "2022-09-04T14:37:46.540357Z",
"structure_string": "Rb2 Hg1 Au1 Br6\n1.0\n6.726338 -0.000000 3.883453\n2.242113 6.341652 3.883453\n-0.000000 -0.000000 7.766906\nRb Hg Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n0.755362 0.244638 0.244638 Br\n0.244638 0.244638 0.755362 Br\n0.244638 0.755362 0.755362 Br\n0.244638 0.755362 0.244638 Br\n0.755362 0.244638 0.755362 Br\n0.755362 0.755362 0.244638 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Hg",
"Au",
"Br"
],
"chemical_system": "Au-Br-Hg-Rb",
"density": 5.252263385899216,
"density_atomic": 0.030183587547459517,
"volume": 331.3058788746163,
"volume_molar": 19.951706371984496,
"formula_full": "Rb2 Hg1 Au1 Br6",
"formula_reduced": "Rb2HgAuBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-101513",
"created_at": "2022-09-04T14:36:41.065810Z",
"updated_at": "2022-09-04T14:36:41.065833Z",
"structure_string": "Rb2 Hg1 Au1 F6\n1.0\n5.543606 -0.000000 3.200602\n1.847869 5.226562 3.200602\n-0.000000 -0.000000 6.401205\nRb Hg Au F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Au\n0.752512 0.247489 0.247488 F\n0.247489 0.247489 0.752510 F\n0.247489 0.752511 0.752510 F\n0.247489 0.752511 0.247488 F\n0.752512 0.247489 0.752510 F\n0.752512 0.752511 0.247488 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Hg",
"Au",
"F"
],
"chemical_system": "Au-F-Hg-Rb",
"density": 6.110411732224131,
"density_atomic": 0.05391750676420505,
"volume": 185.4685166310182,
"volume_molar": 11.169175137003926,
"formula_full": "Rb2 Hg1 Au1 F6",
"formula_reduced": "Rb2HgAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109245",
"created_at": "2022-09-04T14:38:17.798272Z",
"updated_at": "2022-09-04T14:38:17.798299Z",
"structure_string": "Rb2 Hg1 Bi1 Cl6\n1.0\n6.753070 -0.000000 3.898887\n2.251023 6.366855 3.898887\n-0.000000 -0.000000 7.797773\nRb Hg Bi Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.754469 0.245531 0.245531 Cl\n0.245531 0.245531 0.754469 Cl\n0.245530 0.754470 0.754469 Cl\n0.245530 0.754470 0.245531 Cl\n0.754469 0.245531 0.754469 Cl\n0.754468 0.754470 0.245532 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Hg-Rb",
"density": 3.928693462954242,
"density_atomic": 0.0298265622888092,
"volume": 335.271624774269,
"volume_molar": 20.190529172245512,
"formula_full": "Rb2 Hg1 Bi1 Cl6",
"formula_reduced": "Rb2HgBiCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106209",
"created_at": "2022-09-04T14:37:47.263774Z",
"updated_at": "2022-09-04T14:37:47.263800Z",
"structure_string": "Rb2 Hg1 Bi1 F6\n1.0\n5.862489 0.000000 3.384709\n1.954163 5.527208 3.384709\n0.000000 0.000000 6.769420\nRb Hg Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.764340 0.235660 0.235660 F\n0.235660 0.235660 0.764340 F\n0.235660 0.764340 0.764340 F\n0.235660 0.764340 0.235660 F\n0.764340 0.235660 0.764340 F\n0.764340 0.764340 0.235660 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Bi",
"F"
],
"chemical_system": "Bi-F-Hg-Rb",
"density": 5.257506267082662,
"density_atomic": 0.04558906557699278,
"volume": 219.35084374808184,
"volume_molar": 13.209616568757149,
"formula_full": "Rb2 Hg1 Bi1 F6",
"formula_reduced": "Rb2HgBiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104496",
"created_at": "2022-09-04T14:36:59.241166Z",
"updated_at": "2022-09-04T14:36:59.241181Z",
"structure_string": "Rb2 Hg1 Bi1 I6\n1.0\n7.535893 -0.000000 4.350850\n2.511964 7.104908 4.350850\n-0.000000 -0.000000 8.701700\nRb Hg Bi I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.750213 0.249787 0.249787 I\n0.249787 0.249787 0.750213 I\n0.249786 0.750213 0.750213 I\n0.249786 0.750213 0.249787 I\n0.750213 0.249787 0.750213 I\n0.750212 0.750213 0.249787 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Bi",
"I"
],
"chemical_system": "Bi-Hg-I-Rb",
"density": 4.78280399747945,
"density_atomic": 0.021463607179877706,
"volume": 465.9049113317297,
"volume_molar": 28.057449568149952,
"formula_full": "Rb2 Hg1 Bi1 I6",
"formula_reduced": "Rb2HgBiI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107099",
"created_at": "2022-09-04T14:36:58.957067Z",
"updated_at": "2022-09-04T14:36:58.957088Z",
"structure_string": "Rb2 Hg1 Ir1 F6\n1.0\n5.720899 -0.000000 3.302962\n1.906966 5.393715 3.302962\n-0.000000 -0.000000 6.605925\nRb Hg Ir F\n2 1 1 6\ndirect\n0.750001 0.749999 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Ir\n0.787045 0.212955 0.212954 F\n0.212955 0.212955 0.787044 F\n0.212956 0.787044 0.787044 F\n0.212956 0.787044 0.212954 F\n0.787045 0.212955 0.787044 F\n0.787046 0.787044 0.212954 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Ir",
"F"
],
"chemical_system": "F-Hg-Ir-Rb",
"density": 5.521051883094404,
"density_atomic": 0.049058479744714716,
"volume": 203.83835887367349,
"volume_molar": 12.275432894246569,
"formula_full": "Rb2 Hg1 Ir1 F6",
"formula_reduced": "Rb2HgIrF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-59682",
"created_at": "2022-09-04T14:36:59.884470Z",
"updated_at": "2022-09-04T14:36:59.884503Z",
"structure_string": "Rb1 Hg1 N3 O6\n1.0\n5.854284 -0.000000 0.000000\n-0.000000 5.854284 -0.000000\n-0.000000 -0.000000 5.854284\nRb Hg N O\n1 1 3 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.712519 O\n0.000000 0.712519 0.500000 O\n0.000000 0.287480 0.500000 O\n0.500000 0.000000 0.287480 O\n0.287480 0.500000 0.000000 O\n0.712519 0.500000 0.000000 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"N",
"O"
],
"chemical_system": "Hg-N-O-Rb",
"density": 3.509697535378747,
"density_atomic": 0.054824076463530116,
"volume": 200.64177473773557,
"volume_molar": 10.984481907335052,
"formula_full": "Rb1 Hg1 N3 O6",
"formula_reduced": "RbHg(NO2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 3.0347841227272725,
"spacegroup": 200
},
{
"id": "jvasp-56825",
"created_at": "2022-09-04T14:36:50.376393Z",
"updated_at": "2022-09-04T14:36:50.376415Z",
"structure_string": "Rb2 Hg2 Pd1 Br8\n1.0\n6.684631 0.022477 1.935016\n2.861186 6.041390 1.935016\n-0.066775 -0.042418 10.236648\nRb Hg Pd Br\n2 2 1 8\ndirect\n0.399050 0.399050 0.828077 Rb\n0.600950 0.600950 0.171924 Rb\n0.133010 0.133010 0.602040 Hg\n0.866990 0.866990 0.397961 Hg\n0.000000 0.000000 0.000000 Pd\n0.353263 0.353263 0.497171 Br\n0.894303 0.379084 0.866517 Br\n0.088242 0.088242 0.303692 Br\n0.911759 0.911759 0.696309 Br\n0.646737 0.646737 0.502830 Br\n0.105696 0.620916 0.133484 Br\n0.620916 0.105696 0.133484 Br\n0.379084 0.894304 0.866517 Br\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Pd",
"Br"
],
"chemical_system": "Br-Hg-Pd-Rb",
"density": 5.287629048457458,
"density_atomic": 0.03141350595941488,
"volume": 413.83473773336635,
"volume_molar": 19.170546476984736,
"formula_full": "Rb2 Hg2 Pd1 Br8",
"formula_reduced": "Rb2Hg2PdBr8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-86695",
"created_at": "2022-09-04T14:35:41.048650Z",
"updated_at": "2022-09-04T14:35:41.048673Z",
"structure_string": "Rb2 Hg2 Pd1 Cl8\n1.0\n6.368097 0.039047 1.932409\n2.754388 5.741736 1.932409\n-0.037039 -0.023470 9.834079\nRb Hg Pd Cl\n2 2 1 8\ndirect\n0.397295 0.397295 0.829109 Rb\n0.602705 0.602706 0.170891 Rb\n0.866074 0.866075 0.400908 Hg\n0.133926 0.133926 0.599092 Hg\n0.000000 0.000000 0.000000 Pd\n0.085111 0.085111 0.305976 Cl\n0.106719 0.623961 0.134386 Cl\n0.647880 0.647881 0.503489 Cl\n0.376039 0.893282 0.865614 Cl\n0.352119 0.352120 0.496511 Cl\n0.623961 0.106720 0.134386 Cl\n0.893281 0.376040 0.865614 Cl\n0.914889 0.914890 0.694024 Cl\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Pd",
"Cl"
],
"chemical_system": "Cl-Hg-Pd-Rb",
"density": 4.449349676303782,
"density_atomic": 0.03620292627704166,
"volume": 359.08699480583266,
"volume_molar": 16.634403290816255,
"formula_full": "Rb2 Hg2 Pd1 Cl8",
"formula_reduced": "Rb2Hg2PdCl8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-86095",
"created_at": "2022-09-04T14:35:53.815268Z",
"updated_at": "2022-09-04T14:35:53.815284Z",
"structure_string": "Rb2 Hg2 Pd1 Cl8\n1.0\n6.368219 0.039202 1.932702\n2.754581 5.741780 1.932702\n-0.036506 -0.023132 9.833210\nRb Hg Pd Cl\n2 2 1 8\ndirect\n0.397298 0.397299 0.829108 Rb\n0.602701 0.602701 0.170891 Rb\n0.866065 0.866065 0.400907 Hg\n0.133934 0.133935 0.599093 Hg\n0.000000 0.000000 0.000000 Pd\n0.085096 0.085097 0.305975 Cl\n0.106689 0.623952 0.134375 Cl\n0.647877 0.647877 0.503505 Cl\n0.376047 0.893311 0.865624 Cl\n0.352122 0.352123 0.496495 Cl\n0.623952 0.106689 0.134375 Cl\n0.893310 0.376048 0.865624 Cl\n0.914903 0.914904 0.694024 Cl\n",
"nsites": 13,
"nelements": 4,
"elements": [
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],
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"density": 4.44977681544209,
"density_atomic": 0.03620640177073382,
"volume": 359.0525256367258,
"volume_molar": 16.63280653552209,
"formula_full": "Rb2 Hg2 Pd1 Cl8",
"formula_reduced": "Rb2Hg2PdCl8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 4.615384615429263e-06,
"spacegroup": 12
},
{
"id": "jvasp-103157",
"created_at": "2022-09-04T14:37:08.926526Z",
"updated_at": "2022-09-04T14:37:08.926548Z",
"structure_string": "Rb2 Hg1 Rh1 F6\n1.0\n5.471783 -0.000000 3.159135\n1.823928 5.158846 3.159135\n0.000000 0.000000 6.318271\nRb Hg Rh F\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Rh\n0.773702 0.226298 0.226297 F\n0.226298 0.226298 0.773702 F\n0.226298 0.773703 0.773701 F\n0.226298 0.773703 0.226297 F\n0.773702 0.226298 0.773701 F\n0.773702 0.773703 0.226297 F\n",
"nsites": 10,
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"elements": [
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"Rh",
"F"
],
"chemical_system": "F-Hg-Rb-Rh",
"density": 5.47845331905225,
"density_atomic": 0.05606867860760449,
"volume": 178.35269616366023,
"volume_molar": 10.740650412230739,
"formula_full": "Rb2 Hg1 Rh1 F6",
"formula_reduced": "Rb2HgRhF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103197",
"created_at": "2022-09-04T14:36:32.779871Z",
"updated_at": "2022-09-04T14:36:32.779898Z",
"structure_string": "Rb2 Hg1 Ru1 F6\n1.0\n5.800848 -0.000000 3.349121\n1.933616 5.469092 3.349121\n0.000000 0.000000 6.698243\nRb Hg Ru F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Ru\n0.794577 0.205423 0.205423 F\n0.205424 0.205423 0.794576 F\n0.205424 0.794576 0.794576 F\n0.205424 0.794576 0.205423 F\n0.794577 0.205423 0.794576 F\n0.794578 0.794576 0.205423 F\n",
"nsites": 10,
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"elements": [
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"Ru",
"F"
],
"chemical_system": "F-Hg-Rb-Ru",
"density": 4.583668398668039,
"density_atomic": 0.04705788307250864,
"volume": 212.50424683557495,
"volume_molar": 12.79730486541617,
"formula_full": "Rb2 Hg1 Ru1 F6",
"formula_reduced": "Rb2HgRuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}