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=-density_atomic&page=895",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=893",
"results": [
{
"id": "jvasp-118337",
"created_at": "2022-09-04T14:38:52.761615Z",
"updated_at": "2022-09-04T14:38:52.761631Z",
"structure_string": "Ti1 O1 F1\n1.0\n3.639472 -0.000000 0.000000\n-1.819736 3.151875 -0.000000\n-0.000000 -0.000000 3.135434\nTi O F\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Ti\n0.333333 0.666666 0.000000 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 3.8257287027532763,
"density_atomic": 0.08340963548748612,
"volume": 35.967067623141546,
"volume_molar": 7.219958131699901,
"formula_full": "Ti1 O1 F1",
"formula_reduced": "TiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0377707052777778,
"spacegroup": 187
},
{
"id": "jvasp-115178",
"created_at": "2022-09-04T14:38:45.486141Z",
"updated_at": "2022-09-04T14:38:45.486166Z",
"structure_string": "Li1 B2\n1.0\n4.351869 0.000000 -0.767503\n0.000000 2.814344 0.000000\n-0.554276 0.000000 3.034432\nLi B\n1 2\ndirect\n0.466667 0.000000 0.133246 Li\n-0.063594 0.000000 -0.131675 B\n-0.003074 0.000000 0.398428 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.3186922493698026,
"density_atomic": 0.08340878424083956,
"volume": 35.96743469294096,
"volume_molar": 7.220031816566595,
"formula_full": "Li1 B2",
"formula_reduced": "LiB2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.926295055555556,
"spacegroup": 65
},
{
"id": "jvasp-88694",
"created_at": "2022-09-04T14:35:58.919752Z",
"updated_at": "2022-09-04T14:35:58.919778Z",
"structure_string": "Ni21 Sn2 P6\n1.0\n6.835419 0.000000 3.946432\n2.278473 6.444496 3.946432\n0.000000 0.000000 7.892862\nNi Sn P\n21 2 6\ndirect\n-0.000000 0.652068 -0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.383543 0.383543 0.383543 Ni\n0.616457 0.616457 0.150629 Ni\n0.383543 0.383543 0.849370 Ni\n-0.000000 0.347932 -0.000000 Ni\n0.347932 0.652068 -0.000000 Ni\n0.652068 -0.000000 0.347932 Ni\n0.652068 -0.000000 -0.000000 Ni\n-0.000000 -0.000000 0.347932 Ni\n0.616457 0.150630 0.616456 Ni\n0.616457 0.616457 0.616456 Ni\n0.849370 0.383543 0.383543 Ni\n0.347932 -0.000000 -0.000000 Ni\n-0.000000 0.347932 0.652068 Ni\n0.347932 -0.000000 0.652068 Ni\n-0.000000 0.652068 0.347932 Ni\n0.150629 0.616457 0.616456 Ni\n-0.000000 -0.000000 0.652068 Ni\n0.383543 0.849371 0.383543 Ni\n0.652068 0.347932 -0.000000 Ni\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.749999 Sn\n0.737771 0.262229 0.262228 P\n0.737771 0.262229 0.737771 P\n0.262228 0.737772 0.737771 P\n0.262228 0.262229 0.737771 P\n0.737771 0.737772 0.262228 P\n0.262228 0.737772 0.262228 P\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ni",
"Sn",
"P"
],
"chemical_system": "Ni-P-Sn",
"density": 7.908145549104848,
"density_atomic": 0.08340832284123416,
"volume": 347.6871253627871,
"volume_molar": 7.22007175646369,
"formula_full": "Ni21 Sn2 P6",
"formula_reduced": "Ni21(SnP3)2",
"formula_anonymous": "A2B6C21",
"energy_above_hull": 1.7803702344827586,
"spacegroup": 225
},
{
"id": "jvasp-21507",
"created_at": "2022-09-04T14:38:09.593653Z",
"updated_at": "2022-09-04T14:38:09.593675Z",
"structure_string": "Er2 Co12 P7\n1.0\n4.507313 -7.806893 -0.000000\n4.507313 7.806893 0.000000\n0.000000 0.000000 3.577688\nEr Co P\n2 12 7\ndirect\n0.666667 0.333333 0.500000 Er\n0.333333 0.666667 0.000000 Er\n0.727019 0.846115 0.000000 Co\n0.382366 0.945276 0.500000 Co\n0.938933 0.563576 0.000000 Co\n0.624642 0.061066 0.000000 Co\n0.866395 0.104943 0.500000 Co\n0.436423 0.375358 0.000000 Co\n0.895056 0.761453 0.500000 Co\n0.054723 0.437089 0.500000 Co\n0.119096 0.272981 0.000000 Co\n0.562910 0.617633 0.500000 Co\n0.153884 0.880903 0.000000 Co\n0.238547 0.133604 0.500000 Co\n0.111784 0.708853 0.500000 P\n0.000000 0.000000 0.000000 P\n0.291146 0.402930 0.500000 P\n0.886244 0.292715 0.000000 P\n0.406470 0.113755 0.000000 P\n0.707285 0.593529 0.000000 P\n0.597069 0.888215 0.500000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Er",
"Co",
"P"
],
"chemical_system": "Co-Er-P",
"density": 8.300135607731017,
"density_atomic": 0.08340477018528931,
"volume": 251.78415998685787,
"volume_molar": 7.220379297996276,
"formula_full": "Er2 Co12 P7",
"formula_reduced": "Er2Co12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 3.7649890142857134,
"spacegroup": 174
},
{
"id": "jvasp-34228",
"created_at": "2022-09-04T14:37:11.554174Z",
"updated_at": "2022-09-04T14:37:11.554197Z",
"structure_string": "Mg2 O2\n1.0\n1.652849 -2.862817 -0.000000\n1.652849 2.862817 0.000000\n-0.000000 0.000000 5.067749\nMg O\n2 2\ndirect\n0.333333 0.666668 0.005125 Mg\n0.666668 0.333333 0.505125 Mg\n0.333333 0.666668 0.399475 O\n0.666668 0.333333 0.899476 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 2.7909990863522074,
"density_atomic": 0.08340424055365073,
"volume": 47.959192163939846,
"volume_molar": 7.220425148678369,
"formula_full": "Mg2 O2",
"formula_reduced": "MgO",
"formula_anonymous": "AB",
"energy_above_hull": 0.0624999999999997,
"spacegroup": 186
},
{
"id": "jvasp-48135",
"created_at": "2022-09-04T14:36:41.830494Z",
"updated_at": "2022-09-04T14:36:41.830503Z",
"structure_string": "Fe4 O1 F7\n1.0\n-4.807647 -0.059295 0.000000\n0.058702 4.859027 -3.080002\n-0.058702 -4.859027 -3.080002\nFe O F\n4 1 7\ndirect\n0.511738 0.005276 0.494723 Fe\n0.508300 0.504777 0.995222 Fe\n0.989548 0.472884 0.483705 Fe\n0.989548 0.016295 0.027116 Fe\n0.787139 0.147948 0.352052 O\n0.796892 0.655308 0.844691 F\n0.708478 0.153836 0.853430 F\n0.708478 0.646570 0.346163 F\n0.288828 0.843229 0.146847 F\n0.288828 0.353152 0.656771 F\n0.219568 0.354052 0.145947 F\n0.202663 0.846675 0.653324 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.29757579990028,
"density_atomic": 0.0834032707815065,
"volume": 143.87924942939804,
"volume_molar": 7.220509104224873,
"formula_full": "Fe4 O1 F7",
"formula_reduced": "Fe4OF7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.3728881231249996,
"spacegroup": 8
},
{
"id": "jvasp-106177",
"created_at": "2022-09-04T14:36:12.903078Z",
"updated_at": "2022-09-04T14:36:12.903106Z",
"structure_string": "Mg1 Cr1 F6\n1.0\n4.452807 0.064665 2.876061\n1.598949 4.156325 2.876062\n0.092713 0.064665 5.300059\nMg Cr F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 Cr\n0.237756 0.639073 0.883298 F\n0.639073 0.883298 0.237755 F\n0.116702 0.762244 0.360927 F\n0.360927 0.116703 0.762244 F\n0.762244 0.360928 0.116701 F\n0.883298 0.237757 0.639072 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"F"
],
"chemical_system": "Cr-F-Mg",
"density": 3.2942695716021984,
"density_atomic": 0.08340279231289723,
"volume": 95.92004989457526,
"volume_molar": 7.220550527141942,
"formula_full": "Mg1 Cr1 F6",
"formula_reduced": "MgCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.066752268125,
"spacegroup": 148
},
{
"id": "jvasp-107293",
"created_at": "2022-09-04T14:36:52.408072Z",
"updated_at": "2022-09-04T14:36:52.408090Z",
"structure_string": "Sc2 C1 O1\n1.0\n3.100552 0.001681 4.674821\n1.410617 2.761084 4.674821\n0.002744 0.001681 5.609577\nSc C O\n2 1 1\ndirect\n0.246695 0.246695 0.246696 Sc\n0.753305 0.753303 0.753306 Sc\n0.500000 0.499999 0.500001 C\n0.000000 0.000000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"C",
"O"
],
"chemical_system": "C-O-Sc",
"density": 4.082778002414563,
"density_atomic": 0.08340116238560993,
"volume": 47.96096224061934,
"volume_molar": 7.220691639951367,
"formula_full": "Sc2 C1 O1",
"formula_reduced": "Sc2CO",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.876691,
"spacegroup": 166
},
{
"id": "jvasp-55209",
"created_at": "2022-09-04T14:38:35.049453Z",
"updated_at": "2022-09-04T14:38:35.049484Z",
"structure_string": "Ni12 Mo12 N4\n1.0\n6.756159 0.000000 3.900671\n2.252052 6.369768 3.900671\n-0.000000 -0.000000 7.801340\nNi Mo N\n12 12 4\ndirect\n0.630332 0.289889 0.289889 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.289889 0.630332 0.289889 Ni\n0.710110 0.710111 0.710111 Ni\n0.289889 0.289889 0.289889 Ni\n0.500000 -0.000000 0.500000 Ni\n0.710110 0.710111 0.369668 Ni\n0.289889 0.289889 0.630332 Ni\n0.500000 0.500000 -0.000000 Ni\n0.710111 0.369668 0.710111 Ni\n0.369668 0.710111 0.710111 Ni\n0.671161 0.671161 0.078839 Mo\n0.078839 0.671161 0.078839 Mo\n0.921161 0.328839 0.921161 Mo\n0.921161 0.328839 0.328839 Mo\n0.078839 0.078839 0.671161 Mo\n0.671161 0.078839 0.671161 Mo\n0.078839 0.671161 0.671161 Mo\n0.921161 0.921161 0.328839 Mo\n0.328839 0.921161 0.921161 Mo\n0.328839 0.921161 0.328839 Mo\n0.328839 0.328839 0.921161 Mo\n0.671161 0.078839 0.078839 Mo\n0.500000 -0.000000 -0.000000 N\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n-0.000000 0.500000 -0.000000 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ni",
"Mo",
"N"
],
"chemical_system": "Mo-N-Ni",
"density": 9.454960250400342,
"density_atomic": 0.08339986526550433,
"volume": 335.73195725031104,
"volume_molar": 7.220803943541698,
"formula_full": "Ni12 Mo12 N4",
"formula_reduced": "Ni3Mo3N",
"formula_anonymous": "AB3C3",
"energy_above_hull": 4.241782592857143,
"spacegroup": 227
},
{
"id": "jvasp-19289",
"created_at": "2022-09-04T14:37:08.059524Z",
"updated_at": "2022-09-04T14:37:08.059549Z",
"structure_string": "Al4 Bi4 O14\n1.0\n6.234457 0.000007 3.599479\n2.078164 5.877870 3.599472\n0.000022 0.000008 7.198918\nAl Bi O\n4 4 14\ndirect\n0.500006 0.999980 0.500007 Al\n0.999980 0.500007 0.500006 Al\n0.500006 0.500007 0.999981 Al\n0.500007 0.500007 0.500007 Al\n-0.000001 0.500003 -0.000002 Bi\n0.500005 -0.000000 -0.000002 Bi\n-0.000001 0.000000 0.500003 Bi\n-0.000000 -0.000001 -0.000002 Bi\n0.587252 0.162748 0.162749 O\n0.162748 0.162748 0.587254 O\n0.587250 0.587251 0.162750 O\n0.837272 0.412726 0.412729 O\n0.412725 0.837275 0.412724 O\n0.412728 0.412726 0.837273 O\n0.412724 0.837277 0.837275 O\n0.837274 0.412724 0.837276 O\n0.162749 0.587250 0.587252 O\n0.587250 0.162750 0.587250 O\n0.374998 0.374999 0.374999 O\n0.624998 0.625004 0.625002 O\n0.837275 0.837274 0.412724 O\n0.162748 0.587253 0.162747 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O",
"density": 7.35101827056305,
"density_atomic": 0.08339460947858755,
"volume": 263.8060198081356,
"volume_molar": 7.221259020999732,
"formula_full": "Al4 Bi4 O14",
"formula_reduced": "Al2Bi2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.2883689727272727,
"spacegroup": 227
},
{
"id": "jvasp-71021",
"created_at": "2022-09-04T14:35:48.996085Z",
"updated_at": "2022-09-04T14:35:48.996107Z",
"structure_string": "Be1 Zn2 Fe1\n1.0\n2.657151 -0.000000 0.000000\n-0.000000 2.657151 0.000000\n-0.000000 -0.000000 6.793561\nBe Zn Fe\n1 2 1\ndirect\n0.000000 0.000000 0.517211 Be\n0.000000 0.000000 0.981812 Zn\n0.500000 0.500000 0.283556 Zn\n0.500000 0.500000 0.717420 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Fe"
],
"chemical_system": "Be-Fe-Zn",
"density": 6.774151331581561,
"density_atomic": 0.08339308530690098,
"volume": 47.965607523445236,
"volume_molar": 7.221391003627556,
"formula_full": "Be1 Zn2 Fe1",
"formula_reduced": "BeZn2Fe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5382805999999999,
"spacegroup": 99
},
{
"id": "jvasp-71046",
"created_at": "2022-09-04T14:35:42.337997Z",
"updated_at": "2022-09-04T14:35:42.338025Z",
"structure_string": "Be1 Cu1 Rh2\n1.0\n2.735004 0.000000 0.000000\n0.000000 2.735004 0.000000\n0.000000 -0.000000 6.412399\nBe Cu Rh\n1 1 2\ndirect\n0.000000 0.000000 0.502152 Be\n0.499999 0.499999 0.712140 Cu\n0.000000 0.000000 0.994397 Rh\n0.499999 0.499999 0.291312 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Rh"
],
"chemical_system": "Be-Cu-Rh",
"density": 9.636820758435354,
"density_atomic": 0.08339183337650223,
"volume": 47.966327613167714,
"volume_molar": 7.22149941566927,
"formula_full": "Be1 Cu1 Rh2",
"formula_reduced": "BeCuRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7561606375,
"spacegroup": 99
}
]
}