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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3540",
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"results": [
{
"id": "jvasp-30490",
"created_at": "2022-09-04T14:38:39.731303Z",
"updated_at": "2022-09-04T14:38:39.731317Z",
"structure_string": "Cr1 Ga2 S4\n1.0\n3.598924 -0.000136 -0.000157\n-1.799577 3.116571 0.000397\n0.000302 0.000433 12.187727\nCr Ga S\n1 2 4\ndirect\n0.999950 0.000004 0.500003 Cr\n0.333360 0.666834 0.216103 Ga\n0.666553 0.333158 0.783900 Ga\n0.333290 0.666769 0.401847 S\n0.666616 0.333238 0.598154 S\n0.333214 0.666433 0.871015 S\n0.666703 0.333557 0.128980 S\n",
"nsites": 7,
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"elements": [
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"volume": 136.69824558963842,
"volume_molar": 11.760229665512169,
"formula_full": "Cr1 Ga2 S4",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-109512",
"created_at": "2022-09-04T14:38:10.756071Z",
"updated_at": "2022-09-04T14:38:10.756090Z",
"structure_string": "Cr1 Ga1 Ru2\n1.0\n3.665892 -0.000000 2.116504\n1.221964 3.456236 2.116504\n0.000000 -0.000000 4.233007\nCr Ga Ru\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Cr\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ru\n0.749999 0.750001 0.750000 Ru\n",
"nsites": 4,
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"elements": [
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"density": 10.027049520957087,
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"volume": 53.63299408264861,
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"formula_full": "Cr1 Ga1 Ru2",
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{
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"created_at": "2022-09-04T14:36:48.582375Z",
"updated_at": "2022-09-04T14:36:48.582400Z",
"structure_string": "Cr1 Ga1 Rh2\n1.0\n3.702780 -0.000000 2.137801\n1.234260 3.491015 2.137801\n0.000000 -0.000000 4.275602\nCr Ga Rh\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Cr\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Rh\n0.750000 0.749999 0.750000 Rh\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cr-Ga-Rh",
"density": 9.840641705126515,
"density_atomic": 0.07237408658010715,
"volume": 55.26840045950157,
"volume_molar": 8.320852178679178,
"formula_full": "Cr1 Ga1 Rh2",
"formula_reduced": "CrGaRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.44299143125,
"spacegroup": 225
},
{
"id": "jvasp-35729",
"created_at": "2022-09-04T14:37:33.771007Z",
"updated_at": "2022-09-04T14:37:33.771044Z",
"structure_string": "Cr1 Ga1 P2\n1.0\n3.867221 0.000000 -0.000000\n0.000000 3.867221 -0.000000\n-0.000000 0.000000 5.439031\nCr Ga P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.758469 P\n0.000000 0.500000 0.241531 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Ga",
"P"
],
"chemical_system": "Cr-Ga-P",
"density": 3.7493831543189473,
"density_atomic": 0.0491745590669417,
"volume": 81.34287476893833,
"volume_molar": 12.246456042039977,
"formula_full": "Cr1 Ga1 P2",
"formula_reduced": "CrGaP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.54537018125,
"spacegroup": 115
},
{
"id": "jvasp-102847",
"created_at": "2022-09-04T14:36:55.604609Z",
"updated_at": "2022-09-04T14:36:55.604644Z",
"structure_string": "Cr1 Ga1 O4\n1.0\n4.462657 0.001954 0.175105\n-4.463938 2.983392 -0.176051\n0.039626 0.001436 4.465149\nCr Ga O\n1 1 4\ndirect\n0.571816 0.067297 0.498181 Cr\n0.484907 0.480382 0.998172 Ga\n0.191913 0.978060 0.788650 O\n0.191046 0.496881 0.688036 O\n0.773233 0.978058 0.207708 O\n0.811708 0.496856 0.308332 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Ga",
"O"
],
"chemical_system": "Cr-Ga-O",
"density": 5.185934779299621,
"density_atomic": 0.10089699813936309,
"volume": 59.46658583154826,
"volume_molar": 5.968602506570089,
"formula_full": "Cr1 Ga1 O4",
"formula_reduced": "CrGaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2730439541666674,
"spacegroup": 35
},
{
"id": "jvasp-93479",
"created_at": "2022-09-04T14:36:31.203802Z",
"updated_at": "2022-09-04T14:36:31.203819Z",
"structure_string": "Cr1 Ga1 O4\n1.0\n4.466994 0.015865 0.186979\n-4.477883 2.970819 -0.180909\n0.026156 -0.008990 4.470408\nCr Ga O\n1 1 4\ndirect\n0.571271 0.066747 0.498168 Cr\n0.485284 0.480751 0.998160 Ga\n0.192272 0.978351 0.788632 O\n0.190806 0.496670 0.687970 O\n0.773451 0.978346 0.207727 O\n0.811535 0.496668 0.308416 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Ga",
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],
"chemical_system": "Cr-Ga-O",
"density": 5.171863717516446,
"density_atomic": 0.10062323305071931,
"volume": 59.62837625159281,
"volume_molar": 5.984841251288885,
"formula_full": "Cr1 Ga1 O4",
"formula_reduced": "CrGaO4",
"formula_anonymous": "ABC4",
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"spacegroup": 35
},
{
"id": "jvasp-122497",
"created_at": "2022-09-04T14:38:54.381742Z",
"updated_at": "2022-09-04T14:38:54.381772Z",
"structure_string": "Cr4 Ga4 N8\n1.0\n5.544077 -0.000000 0.000000\n0.000000 6.530795 0.000000\n0.000000 -0.000000 5.147497\nCr Ga N\n4 4 8\ndirect\n0.577920 0.875188 0.998877 Cr\n0.422081 0.124812 0.498877 Cr\n0.922081 0.375188 0.498877 Cr\n0.077919 0.624813 0.998877 Cr\n0.582278 0.374842 0.003833 Ga\n0.417723 0.625159 0.503833 Ga\n0.917723 0.874842 0.503833 Ga\n0.082277 0.125159 0.003833 Ga\n0.583993 0.376361 0.388497 N\n0.416007 0.623640 0.888497 N\n0.916008 0.876361 0.888497 N\n0.083993 0.123640 0.388497 N\n0.583441 0.873242 0.378795 N\n0.416559 0.126759 0.878795 N\n0.916560 0.373242 0.878795 N\n0.083441 0.626759 0.378795 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"Ga",
"N"
],
"chemical_system": "Cr-Ga-N",
"density": 5.3362203831989605,
"density_atomic": 0.0858476824606832,
"volume": 186.3766096111882,
"volume_molar": 7.0149136090634014,
"formula_full": "Cr4 Ga4 N8",
"formula_reduced": "CrGaN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5724415562500003,
"spacegroup": 33
},
{
"id": "jvasp-18673",
"created_at": "2022-09-04T14:36:46.070200Z",
"updated_at": "2022-09-04T14:36:46.070223Z",
"structure_string": "Cr1 Ga1 Fe2\n1.0\n3.474879 0.000000 2.006223\n1.158293 3.276147 2.006223\n0.000000 0.000000 4.012445\nCr Ga Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Fe\n0.749999 0.750001 0.750000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Ga",
"Fe"
],
"chemical_system": "Cr-Fe-Ga",
"density": 8.485056184391492,
"density_atomic": 0.08756848420489609,
"volume": 45.67853419319954,
"volume_molar": 6.877064065548017,
"formula_full": "Cr1 Ga1 Fe2",
"formula_reduced": "CrGaFe2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-80110",
"created_at": "2022-09-04T14:37:19.231726Z",
"updated_at": "2022-09-04T14:37:19.231747Z",
"structure_string": "Cr1 Ga1 Fe2\n1.0\n-2.837587 -2.837587 -0.000000\n-2.837587 0.000000 -2.837587\n-0.000000 -2.837587 -2.837587\nCr Ga Fe\n1 1 2\ndirect\n0.500001 0.500001 0.500001 Cr\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Fe\n0.750001 0.750001 0.750001 Fe\n",
"nsites": 4,
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"elements": [
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"Ga",
"Fe"
],
"chemical_system": "Cr-Fe-Ga",
"density": 8.481825404211468,
"density_atomic": 0.08753514152371451,
"volume": 45.695933431676046,
"volume_molar": 6.879683582128575,
"formula_full": "Cr1 Ga1 Fe2",
"formula_reduced": "CrGaFe2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-56962",
"created_at": "2022-09-04T14:35:52.169940Z",
"updated_at": "2022-09-04T14:35:52.169960Z",
"structure_string": "Cr1 Ga1 Co2\n1.0\n3.496442 -0.000000 2.018671\n1.165481 3.296477 2.018671\n0.000000 0.000000 4.037344\nCr Ga Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.499999 0.500000 0.499999 Ga\n0.250000 0.250000 0.250000 Co\n0.749999 0.750001 0.749999 Co\n",
"nsites": 4,
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"elements": [
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"Ga",
"Co"
],
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"density": 8.549436216816384,
"density_atomic": 0.08595830796615032,
"volume": 46.53418726640324,
"volume_molar": 7.005885646761997,
"formula_full": "Cr1 Ga1 Co2",
"formula_reduced": "CrGaCo2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-112896",
"created_at": "2022-09-04T14:38:44.302475Z",
"updated_at": "2022-09-04T14:38:44.302500Z",
"structure_string": "Cr1 Ga7 P8\n1.0\n5.497168 0.000000 0.000000\n0.000000 5.497168 0.000000\n0.000000 0.000000 10.952039\nCr Ga P\n1 7 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 -0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.751498 Ga\n-0.000000 0.500000 0.248502 Ga\n0.500000 0.000000 0.248502 Ga\n-0.000000 0.500000 0.751498 Ga\n0.754022 0.245978 0.877959 P\n0.245978 0.754022 0.877959 P\n0.754022 0.754022 0.122042 P\n0.245978 0.245978 0.122042 P\n0.749771 0.250229 0.374468 P\n0.250229 0.749771 0.374468 P\n0.749771 0.749771 0.625532 P\n0.250229 0.250229 0.625532 P\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Cr-Ga-P",
"density": 3.9529205911786773,
"density_atomic": 0.0483444898295368,
"volume": 330.958089668878,
"volume_molar": 12.456726260291783,
"formula_full": "Cr1 Ga7 P8",
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"formula_anonymous": "AB7C8",
"energy_above_hull": 1.9687286046875003,
"spacegroup": 111
},
{
"id": "jvasp-92728",
"created_at": "2022-09-04T14:36:33.162560Z",
"updated_at": "2022-09-04T14:36:33.162570Z",
"structure_string": "Cr1 Ga4\n1.0\n-2.825184 -2.825184 2.825184\n-2.825184 2.825184 -2.825184\n2.825184 -2.825184 -2.825184\nCr Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.499999 0.000000 0.000000 Ga\n0.000000 0.499999 0.000000 Ga\n0.000000 0.000000 0.499999 Ga\n0.499999 0.499999 0.499999 Ga\n",
"nsites": 5,
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"elements": [
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"formula_full": "Cr1 Ga4",
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"formula_anonymous": "AB4",
"energy_above_hull": 0.6146933399999999,
"spacegroup": 229
}
]
}