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{
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{
"id": "jvasp-18383",
"created_at": "2022-09-04T14:38:09.869093Z",
"updated_at": "2022-09-04T14:38:09.869112Z",
"structure_string": "Ac1 H2\n1.0\n3.617723 0.000000 2.088693\n1.205908 3.410822 2.088693\n-0.000000 -0.000000 4.177386\nAc H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 3,
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"elements": [
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"density": 7.377610474639976,
"density_atomic": 0.05819990574376684,
"volume": 51.546475233274705,
"volume_molar": 10.347337651221135,
"formula_full": "Ac1 H2",
"formula_reduced": "AcH2",
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{
"id": "jvasp-42876",
"created_at": "2022-09-04T14:36:17.930270Z",
"updated_at": "2022-09-04T14:36:17.930289Z",
"structure_string": "Ac1 H3\n1.0\n0.000000 2.908424 2.908424\n2.908424 0.000000 2.908424\n2.908424 2.908424 0.000000\nAc H\n1 3\ndirect\n0.749999 0.749999 0.749999 Ac\n0.000000 0.000000 0.000000 H\n0.499999 0.499999 0.499999 H\n0.250001 0.250001 0.250001 H\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.08129368988764286,
"volume": 49.204311005300106,
"volume_molar": 7.4078821718183585,
"formula_full": "Ac1 H3",
"formula_reduced": "AcH3",
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"spacegroup": 225
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{
"id": "jvasp-37956",
"created_at": "2022-09-04T14:37:48.637249Z",
"updated_at": "2022-09-04T14:37:48.637274Z",
"structure_string": "Ac6 Hg2\n1.0\n7.663303 -0.000529 0.000000\n-3.832109 6.636766 0.000000\n0.000000 0.000000 5.874376\nAc Hg\n6 2\ndirect\n0.175547 0.351030 0.250000 Ac\n0.649020 0.824508 0.250000 Ac\n0.175565 0.824457 0.250000 Ac\n0.824444 0.648956 0.750000 Ac\n0.350995 0.175505 0.750000 Ac\n0.824430 0.175547 0.750000 Ac\n0.333335 0.666678 0.750000 Hg\n0.666664 0.333323 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Hg"
],
"chemical_system": "Ac-Hg",
"density": 9.8000618180564,
"density_atomic": 0.026777686564245187,
"volume": 298.75620437958116,
"volume_molar": 22.489398946214575,
"formula_full": "Ac6 Hg2",
"formula_reduced": "Ac3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1231836499999999,
"spacegroup": 194
},
{
"id": "jvasp-40415",
"created_at": "2022-09-04T14:37:47.487716Z",
"updated_at": "2022-09-04T14:37:47.487745Z",
"structure_string": "Ac1 In1 Hg2\n1.0\n-0.000001 3.832467 3.832466\n3.832467 -0.000001 3.832466\n3.832468 3.832469 -0.000003\nAc In Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ac\n0.750001 0.750001 0.750000 In\n0.000000 0.000000 0.000000 Hg\n0.500002 0.500002 0.500001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"In",
"Hg"
],
"chemical_system": "Ac-Hg-In",
"density": 10.959005240461035,
"density_atomic": 0.03552993260840059,
"volume": 112.58113107296614,
"volume_molar": 16.9494854560353,
"formula_full": "Ac1 In1 Hg2",
"formula_reduced": "AcInHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107669",
"created_at": "2022-09-04T14:37:02.216243Z",
"updated_at": "2022-09-04T14:37:02.216258Z",
"structure_string": "Li1 Ac1 Hg2\n1.0\n4.650080 -0.000000 2.684725\n1.550027 4.384137 2.684725\n-0.000000 -0.000000 5.369450\nLi Ac Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.499999 Ac\n0.250000 0.250000 0.249999 Hg\n0.750000 0.750000 0.749998 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ac",
"Hg"
],
"chemical_system": "Ac-Hg-Li",
"density": 9.634545366815631,
"density_atomic": 0.03654143911325259,
"volume": 109.46476376047566,
"volume_molar": 16.48030539064328,
"formula_full": "Li1 Ac1 Hg2",
"formula_reduced": "LiAcHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40097",
"created_at": "2022-09-04T14:37:49.593206Z",
"updated_at": "2022-09-04T14:37:49.593233Z",
"structure_string": "Ac1 Mg1 Hg2\n1.0\n0.000000 3.803007 3.803007\n3.803007 0.000000 3.803007\n3.803007 3.803007 0.000000\nAc Mg Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750001 0.750001 0.750001 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Mg",
"Hg"
],
"chemical_system": "Ac-Hg-Mg",
"density": 9.849365625870933,
"density_atomic": 0.03636207190430308,
"volume": 110.00473269309609,
"volume_molar": 16.561599613599963,
"formula_full": "Ac1 Mg1 Hg2",
"formula_reduced": "AcMgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-41124",
"created_at": "2022-09-04T14:37:34.600686Z",
"updated_at": "2022-09-04T14:37:34.600709Z",
"structure_string": "Na1 Ac1 Hg2\n1.0\n-0.000000 3.866656 3.866656\n3.866656 0.000000 3.866656\n3.866656 3.866656 -0.000000\nNa Ac Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Na\n0.250001 0.250001 0.250001 Ac\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ac",
"Hg"
],
"chemical_system": "Ac-Hg-Na",
"density": 9.352047900074524,
"density_atomic": 0.034595800680517715,
"volume": 115.62096905745445,
"volume_molar": 17.407143761789882,
"formula_full": "Na1 Ac1 Hg2",
"formula_reduced": "NaAcHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-37825",
"created_at": "2022-09-04T14:37:50.552376Z",
"updated_at": "2022-09-04T14:37:50.552396Z",
"structure_string": "Ac2 Si1 Hg1\n1.0\n-0.000000 3.950122 3.950122\n3.950122 0.000000 3.950122\n3.950122 3.950122 0.000000\nAc Si Hg\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Ac\n0.750000 0.750000 0.750000 Si\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Si",
"Hg"
],
"chemical_system": "Ac-Hg-Si",
"density": 9.196062022002328,
"density_atomic": 0.032448787134342086,
"volume": 123.27117138275443,
"volume_molar": 18.55890864292578,
"formula_full": "Ac2 Si1 Hg1",
"formula_reduced": "Ac2SiHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6372982999999999,
"spacegroup": 225
},
{
"id": "jvasp-79909",
"created_at": "2022-09-04T14:37:13.644747Z",
"updated_at": "2022-09-04T14:37:13.644770Z",
"structure_string": "Ac2 Sn1 Hg1\n1.0\n0.000000 4.064313 4.064313\n4.064313 0.000000 4.064313\n4.064313 4.064313 -0.000000\nAc Sn Hg\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Ac\n0.750001 0.750001 0.750001 Sn\n0.250001 0.250001 0.250001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Sn",
"Hg"
],
"chemical_system": "Ac-Hg-Sn",
"density": 9.563253606228168,
"density_atomic": 0.02978986647365108,
"volume": 134.27384790522547,
"volume_molar": 20.21540031180247,
"formula_full": "Ac2 Sn1 Hg1",
"formula_reduced": "Ac2SnHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2412389625,
"spacegroup": 225
},
{
"id": "jvasp-111247",
"created_at": "2022-09-04T14:38:49.140674Z",
"updated_at": "2022-09-04T14:38:49.140702Z",
"structure_string": "Ac1 Sn1 Hg2\n1.0\n4.716434 0.000000 2.723034\n1.572145 4.446696 2.723034\n0.000000 0.000000 5.446068\nAc Sn Hg\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Hg\n0.749999 0.750001 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Sn",
"Hg"
],
"chemical_system": "Ac-Hg-Sn",
"density": 10.85854114581255,
"density_atomic": 0.03502077320672807,
"volume": 114.21792364171827,
"volume_molar": 17.19591033713398,
"formula_full": "Ac1 Sn1 Hg2",
"formula_reduced": "AcSnHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40629",
"created_at": "2022-09-04T14:37:51.327581Z",
"updated_at": "2022-09-04T14:37:51.327602Z",
"structure_string": "Sr1 Ac1 Hg2\n1.0\n-0.000000 3.990802 3.990802\n3.990802 -0.000000 3.990802\n3.990802 3.990802 -0.000000\nSr Ac Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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"elements": [
"Sr",
"Ac",
"Hg"
],
"chemical_system": "Ac-Hg-Sr",
"density": 9.350401342497006,
"density_atomic": 0.03146657338165369,
"volume": 127.11902092053545,
"volume_molar": 19.138215931421232,
"formula_full": "Sr1 Ac1 Hg2",
"formula_reduced": "SrAcHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102103",
"created_at": "2022-09-04T14:36:36.051633Z",
"updated_at": "2022-09-04T14:36:36.051648Z",
"structure_string": "Ac1 Hg1 Te2\n1.0\n4.916578 -0.000000 2.838587\n1.638859 4.635394 2.838587\n0.000000 0.000000 5.677174\nAc Hg Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Te\n0.750001 0.749999 0.750000 Te\n",
"nsites": 4,
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"elements": [
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"Hg",
"Te"
],
"chemical_system": "Ac-Hg-Te",
"density": 8.763033186984867,
"density_atomic": 0.030915636933646493,
"volume": 129.3843632782047,
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"formula_full": "Ac1 Hg1 Te2",
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}
]
}