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{
"id": "jvasp-121043",
"created_at": "2022-09-04T14:38:54.759429Z",
"updated_at": "2022-09-04T14:38:54.759459Z",
"structure_string": "Sr1 Sn1 F1\n1.0\n3.489264 -0.000000 -0.000000\n0.000000 3.489264 0.000000\n0.000000 -0.000000 7.904385\nSr Sn F\n1 1 1\ndirect\n0.000000 0.000000 0.008092 Sr\n0.000000 0.000000 0.571913 Sn\n0.000000 0.000000 0.292220 F\n",
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"elements": [
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"density": 3.8880271756499707,
"density_atomic": 0.03117349602541474,
"volume": 96.23559698130094,
"volume_molar": 19.318143704800846,
"formula_full": "Sr1 Sn1 F1",
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"formula_anonymous": "ABC",
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{
"id": "jvasp-10199",
"created_at": "2022-09-04T14:38:08.422620Z",
"updated_at": "2022-09-04T14:38:08.422645Z",
"structure_string": "Sr1 Sn1 B2 O6\n1.0\n4.576821 -0.009634 4.342681\n1.859872 4.181897 4.342681\n-0.014863 -0.009634 6.309196\nSr Sn B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500001 0.500000 Sn\n0.764104 0.764107 0.764105 B\n0.235894 0.235895 0.235895 B\n0.716926 0.508594 0.057045 O\n0.057045 0.716928 0.508593 O\n0.491406 0.942956 0.283073 O\n0.283073 0.491409 0.942954 O\n0.942954 0.283075 0.491406 O\n0.508593 0.057047 0.716926 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "B-O-Sn-Sr",
"density": 4.436382231030436,
"density_atomic": 0.08247152407500942,
"volume": 121.25397356431547,
"volume_molar": 7.302084965136267,
"formula_full": "Sr1 Sn1 B2 O6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-108666",
"created_at": "2022-09-04T14:38:16.495001Z",
"updated_at": "2022-09-04T14:38:16.495028Z",
"structure_string": "Sr1 Sm3\n1.0\n5.222572 -0.000000 0.000000\n0.000000 5.222572 0.000000\n-0.000000 0.000000 5.222572\nSr Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n-0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 -0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Sm-Sr",
"density": 6.279755933870532,
"density_atomic": 0.02808061940618714,
"volume": 142.44700026519573,
"volume_molar": 21.445897160919152,
"formula_full": "Sr1 Sm3",
"formula_reduced": "SrSm3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0403275833333334,
"spacegroup": 221
},
{
"id": "jvasp-108670",
"created_at": "2022-09-04T14:38:27.557928Z",
"updated_at": "2022-09-04T14:38:27.557956Z",
"structure_string": "Sr1 Sm3\n1.0\n4.765593 -0.016573 -4.255966\n-0.965885 4.666714 -4.255966\n0.013542 0.016573 6.389362\nSr Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.499999 Sm\n0.250000 0.749999 0.499999 Sm\n0.500000 0.500000 -0.000001 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Sm-Sr",
"density": 6.269978181112768,
"density_atomic": 0.02803689710921734,
"volume": 142.66914004135535,
"volume_molar": 21.479341085929857,
"formula_full": "Sr1 Sm3",
"formula_reduced": "SrSm3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0392900833333334,
"spacegroup": 139
},
{
"id": "jvasp-108922",
"created_at": "2022-09-04T14:38:10.405006Z",
"updated_at": "2022-09-04T14:38:10.405037Z",
"structure_string": "Sr1 Sm1 Ni1 O4\n1.0\n3.624164 -0.016708 -5.561214\n-0.333815 3.608797 -5.561214\n0.015305 0.016708 6.637879\nSr Sm Ni O\n1 1 1 4\ndirect\n0.641490 0.641490 0.000001 Sr\n0.363047 0.363047 0.000001 Sm\n0.003717 0.003717 0.000000 Ni\n0.839771 0.839771 0.000001 O\n0.171562 0.171562 0.000000 O\n0.990205 0.490206 0.500000 O\n0.490206 0.990207 0.500002 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ni-O-Sm-Sr",
"density": 6.848165013618505,
"density_atomic": 0.08004089480933838,
"volume": 87.45529415524862,
"volume_molar": 7.523829880144465,
"formula_full": "Sr1 Sm1 Ni1 O4",
"formula_reduced": "SrSmNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5255873692857147,
"spacegroup": 107
},
{
"id": "jvasp-102676",
"created_at": "2022-09-04T14:36:55.109968Z",
"updated_at": "2022-09-04T14:36:55.109990Z",
"structure_string": "Sr1 Sm1 Al1 O4\n1.0\n3.591778 0.007925 -5.668008\n-0.295751 3.579590 -5.668008\n-0.007281 -0.007925 6.710226\nSr Sm Al O\n1 1 1 4\ndirect\n0.644481 0.644481 0.000001 Sr\n0.360026 0.360026 0.000000 Sm\n0.003111 0.003111 0.000000 Al\n0.838990 0.838991 0.000001 O\n0.167434 0.167434 0.000000 O\n0.992981 0.492981 0.500001 O\n0.492981 0.992980 0.500000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Sm",
"Al",
"O"
],
"chemical_system": "Al-O-Sm-Sr",
"density": 6.35412467118235,
"density_atomic": 0.08142592829847221,
"volume": 85.96770274869976,
"volume_molar": 7.395851525235841,
"formula_full": "Sr1 Sm1 Al1 O4",
"formula_reduced": "SrSmAlO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5111302835714289,
"spacegroup": 107
},
{
"id": "jvasp-56757",
"created_at": "2022-09-04T14:37:00.131928Z",
"updated_at": "2022-09-04T14:37:00.131960Z",
"structure_string": "Sr1 Si6 N8\n1.0\n4.511268 -0.000000 1.783651\n1.888000 6.046595 1.821656\n0.002221 0.000377 6.591226\nSr Si N\n1 6 8\ndirect\n0.343218 0.500000 0.500001 Sr\n0.012320 0.043361 0.635863 Si\n0.691546 0.364137 0.956640 Si\n0.012321 0.635863 0.043361 Si\n0.691546 0.956639 0.364138 Si\n0.486672 0.873267 0.873268 Si\n0.233205 0.126733 0.126733 Si\n0.783996 0.292138 0.707862 N\n0.403390 0.985090 0.620732 N\n0.889005 0.816584 0.816585 N\n0.009212 0.014909 0.379269 N\n0.783996 0.707862 0.292139 N\n0.403390 0.620731 0.985092 N\n0.009212 0.379269 0.014910 N\n0.522173 0.183416 0.183416 N\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sr",
"Si",
"N"
],
"chemical_system": "N-Si-Sr",
"density": 3.4009766161156723,
"density_atomic": 0.08344067890084096,
"volume": 179.76843186793417,
"volume_molar": 7.2172720060877955,
"formula_full": "Sr1 Si6 N8",
"formula_reduced": "Sr(Si3N4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.843854260666666,
"spacegroup": 44
},
{
"id": "jvasp-92588",
"created_at": "2022-09-04T14:36:31.990982Z",
"updated_at": "2022-09-04T14:36:31.991015Z",
"structure_string": "Sr1 Si3 Ni1\n1.0\n4.229973 0.000000 -0.000000\n-0.000000 4.229973 -0.000000\n-2.114987 -2.114987 4.909828\nSr Si Ni\n1 3 1\ndirect\n0.598860 0.598860 0.197721 Sr\n0.002777 0.002777 0.005554 Si\n0.849714 0.349715 0.699431 Si\n0.349715 0.849714 0.699431 Si\n0.244632 0.244632 0.489264 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Si",
"Ni"
],
"chemical_system": "Ni-Si-Sr",
"density": 4.358230943271843,
"density_atomic": 0.056915235280148496,
"volume": 87.84993992186752,
"volume_molar": 10.580894079340593,
"formula_full": "Sr1 Si3 Ni1",
"formula_reduced": "SrSi3Ni",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.014044902,
"spacegroup": 107
},
{
"id": "jvasp-92517",
"created_at": "2022-09-04T14:35:44.098905Z",
"updated_at": "2022-09-04T14:35:44.098919Z",
"structure_string": "Sr1 Si3 Au1\n1.0\n4.475168 0.000000 0.000000\n0.000000 4.475168 0.000000\n-2.237583 -2.237583 4.978424\nSr Si Au\n1 3 1\ndirect\n0.999711 0.999711 0.999420 Sr\n0.378583 0.378583 0.757165 Si\n0.755721 0.255721 0.511440 Si\n0.255721 0.755721 0.511440 Si\n0.632767 0.632767 0.265531 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Si",
"Au"
],
"chemical_system": "Au-Si-Sr",
"density": 6.142994912203967,
"density_atomic": 0.05014867184889471,
"volume": 99.70353781383746,
"volume_molar": 12.00857477969824,
"formula_full": "Sr1 Si3 Au1",
"formula_reduced": "SrSi3Au",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.903041936,
"spacegroup": 107
},
{
"id": "jvasp-111003",
"created_at": "2022-09-04T14:38:36.539069Z",
"updated_at": "2022-09-04T14:38:36.539088Z",
"structure_string": "Sr1 Si2 Pt2\n1.0\n4.040378 -0.024372 -4.373411\n-0.636114 3.990064 -4.373411\n0.020921 0.024372 5.954069\nSr Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250001 0.749999 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.640188 0.640187 0.000001 Pt\n0.359813 0.359812 0.000000 Pt\n",
"nsites": 5,
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"elements": [
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],
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"density": 9.163382423616605,
"density_atomic": 0.05167361053170679,
"volume": 96.76118909732489,
"volume_molar": 11.654190016981357,
"formula_full": "Sr1 Si2 Pt2",
"formula_reduced": "Sr(SiPt)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.156075262,
"spacegroup": 139
},
{
"id": "jvasp-110922",
"created_at": "2022-09-04T14:38:46.769124Z",
"updated_at": "2022-09-04T14:38:46.769156Z",
"structure_string": "Sr1 Si2 Pt2\n1.0\n4.005111 -0.053709 -4.301045\n-0.659082 3.950875 -4.301045\n0.046114 0.053709 5.876885\nSr Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.371343 0.371343 0.000000 Si\n0.628657 0.628656 0.000000 Si\n0.749999 0.250000 0.500000 Pt\n0.250000 0.749999 0.500000 Pt\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Pt-Si-Sr",
"density": 9.367011292076477,
"density_atomic": 0.05282190254391059,
"volume": 94.6577037024277,
"volume_molar": 11.400840314287855,
"formula_full": "Sr1 Si2 Pt2",
"formula_reduced": "Sr(SiPt)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-92397",
"created_at": "2022-09-04T14:36:02.511172Z",
"updated_at": "2022-09-04T14:36:02.511198Z",
"structure_string": "Sr1 Si2 Pd2\n1.0\n4.040174 -0.000000 -1.615993\n-0.646368 3.988134 -1.615993\n0.002617 0.003075 5.864992\nSr Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.373508 0.373508 0.747016 Si\n0.626492 0.626492 0.252984 Si\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.2639236752807435,
"density_atomic": 0.05288691966692908,
"volume": 94.5413352013876,
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"formula_full": "Sr1 Si2 Pd2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 1.777064982,
"spacegroup": 139
}
]
}