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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4643",
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"results": [
{
"id": "jvasp-55643",
"created_at": "2022-09-04T14:37:04.139385Z",
"updated_at": "2022-09-04T14:37:04.139410Z",
"structure_string": "Rb8 Yb2 I12\n1.0\n9.937687 0.003515 0.078514\n0.077924 9.937382 0.078514\n0.003542 0.003515 9.937996\nYb Rb I\n2 8 12\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.131455 0.750000 0.368545 Rb\n0.750000 0.368546 0.131454 Rb\n0.368545 0.131455 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.250000 0.631455 0.868545 Rb\n0.631455 0.868545 0.250000 Rb\n0.750000 0.750001 0.750000 Rb\n0.868545 0.250001 0.631455 Rb\n0.558603 0.199938 0.429619 I\n0.699938 0.058604 0.929620 I\n0.441396 0.800063 0.570380 I\n0.929620 0.699938 0.058603 I\n0.570380 0.441397 0.800062 I\n0.800062 0.570381 0.441396 I\n0.429619 0.558604 0.199938 I\n0.941397 0.070381 0.300062 I\n0.300062 0.941397 0.070380 I\n0.070380 0.300063 0.941397 I\n0.199938 0.429620 0.558603 I\n0.058603 0.929620 0.699938 I\n",
"nsites": 22,
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],
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"formula_full": "Rb8 Yb2 I12",
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"formula_anonymous": "AB4C6",
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"spacegroup": 167
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{
"id": "jvasp-58986",
"created_at": "2022-09-04T14:37:01.454677Z",
"updated_at": "2022-09-04T14:37:01.454702Z",
"structure_string": "Na8 Pd4 Cl16\n1.0\n9.542743 -0.000000 0.000000\n0.000000 9.542743 -0.000000\n-0.000000 0.000000 7.430865\nNa Pd Cl\n8 4 16\ndirect\n0.306811 0.693189 0.250000 Na\n0.193189 0.193189 0.250000 Na\n0.806811 0.806811 0.250000 Na\n0.693189 0.306811 0.250000 Na\n0.193189 0.806811 0.750000 Na\n0.306811 0.306811 0.750000 Na\n0.693189 0.693189 0.750000 Na\n0.806811 0.193189 0.750000 Na\n0.000000 0.500000 0.434682 Pd\n0.000000 0.500000 0.934682 Pd\n0.500000 0.000000 0.565317 Pd\n0.500000 0.000000 0.065318 Pd\n0.238731 0.554578 0.930094 Cl\n0.945421 0.738731 0.930094 Cl\n0.238731 0.445421 0.430094 Cl\n0.054579 0.261269 0.930094 Cl\n0.054579 0.738731 0.430094 Cl\n0.945421 0.261269 0.430094 Cl\n0.445421 0.238731 0.069906 Cl\n0.261269 0.054579 0.569905 Cl\n0.261269 0.945421 0.069906 Cl\n0.554578 0.761269 0.069906 Cl\n0.738731 0.054579 0.069906 Cl\n0.738731 0.945421 0.569905 Cl\n0.761269 0.445421 0.930094 Cl\n0.445421 0.761269 0.569905 Cl\n0.761269 0.554578 0.430094 Cl\n0.554578 0.238731 0.569905 Cl\n",
"nsites": 28,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Na-Pd",
"density": 2.8879054011508205,
"density_atomic": 0.04137825811624489,
"volume": 676.6838739644129,
"volume_molar": 14.553876925127835,
"formula_full": "Na8 Pd4 Cl16",
"formula_reduced": "Na2PdCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 130
},
{
"id": "jvasp-59076",
"created_at": "2022-09-04T14:37:01.415545Z",
"updated_at": "2022-09-04T14:37:01.415576Z",
"structure_string": "Dy8 Br16\n1.0\n6.635516 0.000000 0.000000\n-0.000000 7.608340 0.000000\n0.000000 0.000000 12.858474\nDy Br\n8 16\ndirect\n0.675066 0.048662 0.096308 Dy\n0.175066 0.951338 0.403692 Dy\n0.824935 0.548661 0.903692 Dy\n0.324934 0.451338 0.596307 Dy\n0.324934 0.951338 0.903692 Dy\n0.824935 0.048662 0.596307 Dy\n0.175066 0.451338 0.096308 Dy\n0.675066 0.548661 0.403692 Dy\n0.702975 0.380899 0.704889 Br\n0.202975 0.619101 0.795110 Br\n0.202975 0.119101 0.704889 Br\n0.702975 0.880899 0.795110 Br\n0.297025 0.619101 0.295111 Br\n0.797026 0.380899 0.204889 Br\n0.019497 0.296233 0.453598 Br\n0.980503 0.703767 0.546402 Br\n0.480503 0.796233 0.546402 Br\n0.980503 0.203767 0.953597 Br\n0.297025 0.119101 0.204889 Br\n0.480503 0.296233 0.953597 Br\n0.519498 0.203767 0.453598 Br\n0.019497 0.796233 0.046402 Br\n0.519498 0.703767 0.046402 Br\n0.797026 0.880899 0.295111 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Dy",
"Br"
],
"chemical_system": "Br-Dy",
"density": 6.595627588478688,
"density_atomic": 0.036970659510857005,
"volume": 649.1634262827264,
"volume_molar": 16.288973038826924,
"formula_full": "Dy8 Br16",
"formula_reduced": "DyBr2",
"formula_anonymous": "AB2",
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"spacegroup": 61
},
{
"id": "jvasp-107263",
"created_at": "2022-09-04T14:37:00.844324Z",
"updated_at": "2022-09-04T14:37:00.844346Z",
"structure_string": "Ba1 Mg2 In2\n1.0\n4.569038 -0.022807 -5.492423\n-0.614700 4.527557 -5.492423\n0.020020 0.022807 7.144398\nBa Mg In\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500001 Mg\n0.250000 0.750001 0.500001 Mg\n0.383829 0.383829 0.000000 In\n0.616172 0.616171 0.000001 In\n",
"nsites": 5,
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"elements": [
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"Mg",
"In"
],
"chemical_system": "Ba-In-Mg",
"density": 4.636271885160799,
"density_atomic": 0.03359251190972168,
"volume": 148.84269486715576,
"volume_molar": 17.927033191754834,
"formula_full": "Ba1 Mg2 In2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-9406",
"created_at": "2022-09-04T14:37:08.597104Z",
"updated_at": "2022-09-04T14:37:08.597125Z",
"structure_string": "Rb2 Au2 F8\n1.0\n5.630167 0.000000 -2.593793\n-1.194949 5.501897 -2.593793\n-0.002927 -0.003631 7.401050\nRb Au F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 Rb\n0.750000 0.750000 0.500001 Rb\n-0.000000 0.500000 0.000000 Au\n0.500000 -0.000000 0.000000 Au\n0.956053 0.456053 0.229843 F\n0.726211 0.226211 0.770159 F\n0.043947 0.543948 0.770158 F\n0.226210 0.043948 0.770158 F\n0.273789 0.773790 0.229842 F\n0.456053 0.273790 0.229842 F\n0.773790 0.956053 0.229843 F\n0.543947 0.726211 0.770159 F\n",
"nsites": 12,
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"elements": [
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"Au",
"F"
],
"chemical_system": "Au-F-Rb",
"density": 5.194632996837725,
"density_atomic": 0.052366689046778124,
"volume": 229.1533075402311,
"volume_molar": 11.499945613557008,
"formula_full": "Rb2 Au2 F8",
"formula_reduced": "RbAuF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-18683",
"created_at": "2022-09-04T14:37:01.657536Z",
"updated_at": "2022-09-04T14:37:01.657560Z",
"structure_string": "Ho1 In1 Cu2\n1.0\n4.043376 -0.000000 2.334444\n1.347792 3.812131 2.334444\n-0.000000 -0.000000 4.668887\nHo In Cu\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ho\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.749999 Cu\n",
"nsites": 4,
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"elements": [
"Ho",
"In",
"Cu"
],
"chemical_system": "Cu-Ho-In",
"density": 9.38745301875467,
"density_atomic": 0.055582065687455946,
"volume": 71.96565925585492,
"volume_molar": 10.834683248123879,
"formula_full": "Ho1 In1 Cu2",
"formula_reduced": "HoInCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-1582",
"created_at": "2022-09-04T14:37:01.541245Z",
"updated_at": "2022-09-04T14:37:01.541272Z",
"structure_string": "Rb2 S1\n1.0\n4.734536 0.000000 2.733485\n1.578179 4.463763 2.733485\n0.000000 0.000000 5.466971\nRb S\n2 1\ndirect\n0.750001 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 S\n",
"nsites": 3,
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"elements": [
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"S"
],
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"density": 2.9175687438306723,
"density_atomic": 0.02596545476968518,
"volume": 115.53812658434612,
"volume_molar": 23.192895381254345,
"formula_full": "Rb2 S1",
"formula_reduced": "Rb2S",
"formula_anonymous": "AB2",
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"spacegroup": 225
},
{
"id": "jvasp-104498",
"created_at": "2022-09-04T14:36:55.685748Z",
"updated_at": "2022-09-04T14:36:55.685768Z",
"structure_string": "Na1 Ca1 Sb1\n1.0\n4.310521 -0.000000 2.488681\n1.436840 4.063999 2.488681\n-0.000000 -0.000000 4.977361\nNa Ca Sb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
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"elements": [
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"Ca",
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],
"chemical_system": "Ca-Na-Sb",
"density": 3.5199283333488056,
"density_atomic": 0.034406362169125425,
"volume": 87.19317622867007,
"volume_molar": 17.50298601868457,
"formula_full": "Na1 Ca1 Sb1",
"formula_reduced": "NaCaSb",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-106418",
"created_at": "2022-09-04T14:36:55.683215Z",
"updated_at": "2022-09-04T14:36:55.683238Z",
"structure_string": "Na2 Cu1 As1 F6\n1.0\n5.121524 -0.000000 2.956913\n1.707175 4.828619 2.956913\n-0.000000 -0.000000 5.913826\nNa Cu As F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.499999 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 As\n0.752839 0.247160 0.247160 F\n0.247160 0.247160 0.752840 F\n0.247159 0.752840 0.752840 F\n0.247159 0.752840 0.247160 F\n0.752839 0.247160 0.752840 F\n0.752838 0.752840 0.247160 F\n",
"nsites": 10,
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],
"chemical_system": "As-Cu-F-Na",
"density": 3.3885342627782555,
"density_atomic": 0.0683768841319761,
"volume": 146.24825519540678,
"volume_molar": 8.80727578691141,
"formula_full": "Na2 Cu1 As1 F6",
"formula_reduced": "Na2CuAsF6",
"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-104607",
"created_at": "2022-09-04T14:36:55.364338Z",
"updated_at": "2022-09-04T14:36:55.364361Z",
"structure_string": "Pm1 Zn1 Hg2\n1.0\n4.393979 -0.000000 2.536865\n1.464660 4.142683 2.536865\n-0.000000 0.000000 5.073730\nPm Zn Hg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Pm\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Hg\n0.750000 0.749999 0.749999 Hg\n",
"nsites": 4,
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"spacegroup": 225
},
{
"id": "jvasp-11321",
"created_at": "2022-09-04T14:37:08.622703Z",
"updated_at": "2022-09-04T14:37:08.622729Z",
"structure_string": "Zn2 Sb2 F10\n1.0\n5.152903 0.191607 1.218077\n-1.392738 4.788259 0.695479\n0.057869 -1.292264 7.943801\nZn Sb F\n2 2 10\ndirect\n0.383976 0.556674 0.222189 Zn\n0.732943 0.574151 0.781469 Zn\n0.043074 0.082920 0.013871 Sb\n0.480314 0.073090 0.513767 Sb\n0.070883 0.840476 0.788995 F\n0.784009 -0.022596 0.344810 F\n0.605787 0.875664 0.686250 F\n0.817612 0.256634 0.901831 F\n0.350623 0.325761 0.841998 F\n0.785119 0.394133 0.557653 F\n0.635367 0.741073 0.026926 F\n0.320395 0.657863 0.454872 F\n0.059451 0.481541 0.135327 F\n0.416601 0.178632 0.232096 F\n",
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"volume": 204.61432279645524,
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"formula_full": "Zn2 Sb2 F10",
"formula_reduced": "ZnSbF5",
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"spacegroup": 1
},
{
"id": "jvasp-101182",
"created_at": "2022-09-04T14:37:04.259012Z",
"updated_at": "2022-09-04T14:37:04.259036Z",
"structure_string": "K1 Rb1 Cl2\n1.0\n4.332745 0.000991 6.561409\n1.971643 3.858148 6.561409\n0.001618 0.000991 7.862872\nK Rb Cl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Rb\n0.254419 0.254419 0.254419 Cl\n0.745582 0.745581 0.745581 Cl\n",
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],
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"volume": 131.3670241205961,
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"formula_full": "K1 Rb1 Cl2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
}
]
}