HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=701",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=699",
"results": [
{
"id": "jvasp-107110",
"created_at": "2022-09-04T14:36:47.943795Z",
"updated_at": "2022-09-04T14:36:47.943820Z",
"structure_string": "K2 Tl2 I6\n1.0\n7.561022 -0.000000 4.365358\n2.520341 7.128600 4.365358\n-0.000000 -0.000000 8.730716\nK Tl I\n2 2 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 Tl\n0.750022 0.249977 0.249978 I\n0.249977 0.249977 0.750023 I\n0.249977 0.750023 0.750023 I\n0.249977 0.750023 0.249978 I\n0.750022 0.249977 0.750023 I\n0.750022 0.750023 0.249978 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Tl",
"I"
],
"chemical_system": "I-K-Tl",
"density": 4.405191334610607,
"density_atomic": 0.02125031590762403,
"volume": 470.5812395199393,
"volume_molar": 28.339064634043492,
"formula_full": "K2 Tl2 I6",
"formula_reduced": "KTlI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-45368",
"created_at": "2022-09-04T14:36:52.573202Z",
"updated_at": "2022-09-04T14:36:52.573223Z",
"structure_string": "Hg4 Se4 O12\n1.0\n6.083263 0.000000 0.000000\n0.000000 6.158976 0.000000\n0.000000 0.000000 8.322778\nHg Se O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.499844 0.943569 0.750000 Se\n-0.000156 0.556432 0.250000 Se\n0.000156 0.443569 0.750000 Se\n0.500156 0.056432 0.250000 Se\n0.738416 0.354954 0.750000 O\n0.238416 0.145046 0.250000 O\n0.620155 0.198874 0.086781 O\n0.120155 0.301126 0.913219 O\n0.879844 0.698875 0.413219 O\n0.120155 0.301126 0.586781 O\n0.379845 0.801126 0.913219 O\n0.879844 0.698875 0.086781 O\n0.261583 0.645047 0.250000 O\n0.620155 0.198874 0.413219 O\n0.379845 0.801126 0.586781 O\n0.761583 0.854954 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.977034826515268,
"density_atomic": 0.0641381723777099,
"volume": 311.8267836230184,
"volume_molar": 9.389323918579398,
"formula_full": "Hg4 Se4 O12",
"formula_reduced": "HgSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3515636933333337,
"spacegroup": 62
},
{
"id": "jvasp-107502",
"created_at": "2022-09-04T14:36:44.778197Z",
"updated_at": "2022-09-04T14:36:44.778216Z",
"structure_string": "Rb1 Sr1 Cl3\n1.0\n5.618110 -0.000000 0.000000\n0.000000 5.618110 0.000000\n-0.000000 -0.000000 5.618110\nRb Sr Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 -0.000000 Cl\n-0.000000 0.500000 -0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Sr",
"Cl"
],
"chemical_system": "Cl-Rb-Sr",
"density": 2.6168421325860862,
"density_atomic": 0.028196765313787744,
"volume": 177.3253046708547,
"volume_molar": 21.35755890075545,
"formula_full": "Rb1 Sr1 Cl3",
"formula_reduced": "RbSrCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0091479999999999,
"spacegroup": 221
},
{
"id": "jvasp-49759",
"created_at": "2022-09-04T14:36:48.865361Z",
"updated_at": "2022-09-04T14:36:48.865389Z",
"structure_string": "Ba2 Nd2 O6\n1.0\n6.338786 -0.059491 -0.042125\n3.100324 5.529171 -0.042125\n3.100324 1.796545 5.229334\nBa Nd O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.000000 0.000000 0.000000 Nd\n0.499999 0.500000 0.500000 Nd\n0.164948 0.750000 0.335050 O\n0.335049 0.164950 0.750000 O\n0.249999 0.664951 0.835050 O\n0.750000 0.335050 0.164950 O\n0.664949 0.835050 0.250001 O\n0.835049 0.250000 0.664951 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Nd",
"O"
],
"chemical_system": "Ba-Nd-O",
"density": 5.909340020024194,
"density_atomic": 0.053990320352852145,
"volume": 185.21838608560378,
"volume_molar": 11.154111923475316,
"formula_full": "Ba2 Nd2 O6",
"formula_reduced": "BaNdO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.272939594,
"spacegroup": 167
},
{
"id": "jvasp-104641",
"created_at": "2022-09-04T14:36:48.203267Z",
"updated_at": "2022-09-04T14:36:48.203288Z",
"structure_string": "K2 Ca2 I6\n1.0\n7.844452 0.020973 0.000000\n-6.538577 4.333921 0.000000\n-0.000000 -0.000000 11.612710\nK Ca I\n2 2 6\ndirect\n0.250858 0.749141 0.250000 K\n0.749140 0.250858 0.750000 K\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.638007 0.361992 0.057358 I\n0.361992 0.638007 0.942642 I\n0.361992 0.638007 0.557358 I\n0.638007 0.361992 0.442642 I\n0.927232 0.072766 0.250000 I\n0.072766 0.927233 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ca",
"I"
],
"chemical_system": "Ca-I-K",
"density": 3.8530738051865105,
"density_atomic": 0.0252275190300743,
"volume": 396.3925262757218,
"volume_molar": 23.871315894443953,
"formula_full": "K2 Ca2 I6",
"formula_reduced": "KCaI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-50073",
"created_at": "2022-09-04T14:37:02.011746Z",
"updated_at": "2022-09-04T14:37:02.011778Z",
"structure_string": "Li4 Te4 O12\n1.0\n5.108520 0.000000 0.000000\n0.000000 5.228869 0.000000\n0.000000 0.000000 9.224833\nLi Te O\n4 4 12\ndirect\n0.000000 0.000000 0.328203 Li\n0.500000 0.000000 0.150383 Li\n0.000000 0.500000 0.650383 Li\n0.500000 0.500000 0.828203 Li\n0.000000 0.000000 0.898028 Te\n0.500000 0.000000 0.591693 Te\n0.000000 0.500000 0.091693 Te\n0.500000 0.500000 0.398028 Te\n0.214663 0.185062 0.062204 O\n0.714663 0.314938 0.562204 O\n0.786444 0.341376 0.935471 O\n0.797482 0.315349 0.232901 O\n0.202518 0.684652 0.232901 O\n0.713556 0.841376 0.435471 O\n0.285337 0.685062 0.562204 O\n0.785337 0.814938 0.062204 O\n0.286444 0.158624 0.435471 O\n0.702518 0.815349 0.732900 O\n0.213556 0.658624 0.935471 O\n0.297482 0.184651 0.732900 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Te",
"O"
],
"chemical_system": "Li-O-Te",
"density": 4.920439082821118,
"density_atomic": 0.08116496831363923,
"volume": 246.4117268267218,
"volume_molar": 7.419630519325935,
"formula_full": "Li4 Te4 O12",
"formula_reduced": "LiTeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5916096533333333,
"spacegroup": 34
},
{
"id": "jvasp-8735",
"created_at": "2022-09-04T14:36:43.893944Z",
"updated_at": "2022-09-04T14:36:43.893955Z",
"structure_string": "Dy3 In1 N1\n1.0\n4.795604 0.000000 -0.000000\n0.000000 4.795604 -0.000000\n0.000000 0.000000 4.795604\nDy In N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"In",
"N"
],
"chemical_system": "Dy-In-N",
"density": 9.279588737815002,
"density_atomic": 0.045335672571085214,
"volume": 110.2884266723985,
"volume_molar": 13.283448592402445,
"formula_full": "Dy3 In1 N1",
"formula_reduced": "Dy3InN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.676272544,
"spacegroup": 221
},
{
"id": "jvasp-107089",
"created_at": "2022-09-04T14:36:57.284703Z",
"updated_at": "2022-09-04T14:36:57.284718Z",
"structure_string": "Ce1 Cr1 O3\n1.0\n3.858025 -0.000000 0.000000\n0.000000 3.858025 0.000000\n-0.000000 -0.000000 3.858025\nCe Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Cr\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Cr",
"O"
],
"chemical_system": "Ce-Cr-O",
"density": 6.943281533137351,
"density_atomic": 0.08707127254289292,
"volume": 57.42422103153377,
"volume_molar": 6.916334841704974,
"formula_full": "Ce1 Cr1 O3",
"formula_reduced": "CeCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.45547468,
"spacegroup": 221
},
{
"id": "jvasp-104865",
"created_at": "2022-09-04T14:36:56.119948Z",
"updated_at": "2022-09-04T14:36:56.119977Z",
"structure_string": "Pm1 Be1 O3\n1.0\n3.629104 -0.000000 0.000000\n0.000000 3.629104 0.000000\n-0.000000 0.000000 3.629104\nPm Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.499999 0.499999 0.499999 Be\n0.499999 0.499999 -0.000000 O\n0.499999 0.000000 0.499999 O\n-0.000000 0.499999 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pm",
"Be",
"O"
],
"chemical_system": "Be-O-Pm",
"density": 7.018180687532578,
"density_atomic": 0.10460965316634187,
"volume": 47.796736234746916,
"volume_molar": 5.756773469484766,
"formula_full": "Pm1 Be1 O3",
"formula_reduced": "PmBeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7141295549999995,
"spacegroup": 221
},
{
"id": "jvasp-107286",
"created_at": "2022-09-04T14:36:52.606786Z",
"updated_at": "2022-09-04T14:36:52.606809Z",
"structure_string": "Sr1 In3 Au1\n1.0\n4.321898 -0.069731 -5.675668\n-0.547210 4.287683 -5.675668\n0.062403 0.069731 7.133591\nSr In Au\n1 3 1\ndirect\n-0.000744 -0.000744 0.000000 Sr\n0.231171 0.731170 0.499999 In\n0.731171 0.231171 0.500000 In\n0.383221 0.383221 -0.000000 In\n0.596951 0.596951 -0.000000 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"In",
"Au"
],
"chemical_system": "Au-In-Sr",
"density": 7.715080704025231,
"density_atomic": 0.036930290572765805,
"volume": 135.39021552371005,
"volume_molar": 16.306778708210384,
"formula_full": "Sr1 In3 Au1",
"formula_reduced": "SrIn3Au",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 107
},
{
"id": "jvasp-101036",
"created_at": "2022-09-04T14:36:48.137912Z",
"updated_at": "2022-09-04T14:36:48.137925Z",
"structure_string": "Yb1 Zn1 O3\n1.0\n3.805613 -0.000000 0.000000\n0.000000 3.805613 0.000000\n-0.000000 -0.000000 3.805613\nYb Zn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Zn",
"O"
],
"chemical_system": "O-Yb-Zn",
"density": 8.630179186582243,
"density_atomic": 0.09071855801624353,
"volume": 55.11551450260849,
"volume_molar": 6.638267727890595,
"formula_full": "Yb1 Zn1 O3",
"formula_reduced": "YbZnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.6825123199999998,
"spacegroup": 221
},
{
"id": "jvasp-22655",
"created_at": "2022-09-04T14:37:02.009533Z",
"updated_at": "2022-09-04T14:37:02.009560Z",
"structure_string": "Rb2 V2 Br6\n1.0\n7.618353 -0.000000 0.000000\n-3.809176 6.597686 0.000000\n-0.000000 -0.000000 5.503257\nRb V Br\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Rb\n0.333333 0.666667 0.750000 Rb\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.167595 0.335191 0.250000 Br\n0.832404 0.167596 0.750000 Br\n0.167595 0.832405 0.250000 Br\n0.335191 0.167596 0.750000 Br\n0.664809 0.832405 0.250000 Br\n0.832404 0.664809 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"V",
"Br"
],
"chemical_system": "Br-Rb-V",
"density": 4.515797848952459,
"density_atomic": 0.03615159564147904,
"volume": 276.61296334390175,
"volume_molar": 16.658022012976968,
"formula_full": "Rb2 V2 Br6",
"formula_reduced": "RbVBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.449905303,
"spacegroup": 194
}
]
}