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{
"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",
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"formula_full": "Cr1 Ga1 O4",
"formula_reduced": "CrGaO4",
"formula_anonymous": "ABC4",
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{
"id": "jvasp-102847",
"created_at": "2022-09-04T14:36:55.604609Z",
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"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,
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"elements": [
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"volume": 59.46658583154826,
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"formula_full": "Cr1 Ga1 O4",
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{
"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,
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"elements": [
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],
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"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",
"energy_above_hull": 2.78796768125,
"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": [
"Cr",
"Ga",
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],
"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",
"energy_above_hull": 2.78795768125,
"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,
"nelements": 3,
"elements": [
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"Ga",
"Co"
],
"chemical_system": "Co-Cr-Ga",
"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-102221",
"created_at": "2022-09-04T14:36:37.757338Z",
"updated_at": "2022-09-04T14:36:37.757362Z",
"structure_string": "Cr1 Fe3 Sb4\n1.0\n4.006166 -0.000000 0.000000\n-2.003084 3.469442 0.000000\n-0.000000 0.000000 10.481243\nCr Fe Sb\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.260621 Fe\n0.000000 0.000000 0.739379 Fe\n0.333334 0.666667 0.861180 Sb\n0.333334 0.666667 0.378017 Sb\n0.666668 0.333333 0.138820 Sb\n0.666668 0.333333 0.621983 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Fe",
"Sb"
],
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"density": 8.053851268739509,
"density_atomic": 0.05491470117270856,
"volume": 145.68047952841872,
"volume_molar": 10.966354421305448,
"formula_full": "Cr1 Fe3 Sb4",
"formula_reduced": "CrFe3Sb4",
"formula_anonymous": "AB3C4",
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"spacegroup": 164
},
{
"id": "jvasp-108143",
"created_at": "2022-09-04T14:38:18.158622Z",
"updated_at": "2022-09-04T14:38:18.158635Z",
"structure_string": "Cr1 Fe3 B2\n1.0\n4.031597 0.031220 3.030213\n2.449400 3.213977 1.042242\n-0.009326 0.018759 4.072454\nCr Fe B\n1 3 2\ndirect\n0.157922 0.842078 0.157922 Cr\n0.835926 0.164073 0.835926 Fe\n0.662031 0.661219 0.338780 Fe\n0.338781 0.337969 0.662031 Fe\n0.752668 0.747332 0.752668 B\n0.252669 0.247331 0.252668 B\n",
"nsites": 6,
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"elements": [
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"Fe",
"B"
],
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"density": 7.611824130500305,
"density_atomic": 0.11405072471408062,
"volume": 52.608170750704964,
"volume_molar": 5.2802301564476695,
"formula_full": "Cr1 Fe3 B2",
"formula_reduced": "CrFe3B2",
"formula_anonymous": "AB2C3",
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"spacegroup": 42
},
{
"id": "jvasp-100015",
"created_at": "2022-09-04T14:36:36.865085Z",
"updated_at": "2022-09-04T14:36:36.865111Z",
"structure_string": "Cr1 Fe3 As2\n1.0\n3.649050 -0.000000 0.000000\n0.000000 3.649050 -0.000000\n0.000000 -0.000000 5.947552\nCr Fe As\n1 3 2\ndirect\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.311805 Fe\n0.000000 0.500000 0.688195 Fe\n0.500000 0.000000 0.718269 As\n0.000000 0.500000 0.281730 As\n",
"nsites": 6,
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"elements": [
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"density": 7.744937125950729,
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"volume": 79.19502061454568,
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"formula_full": "Cr1 Fe3 As2",
"formula_reduced": "CrFe3As2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.647319566666667,
"spacegroup": 115
},
{
"id": "jvasp-35731",
"created_at": "2022-09-04T14:37:34.284210Z",
"updated_at": "2022-09-04T14:37:34.284231Z",
"structure_string": "Cr1 Fe3\n1.0\n3.516501 -0.000000 -0.000000\n-0.000000 3.516501 -0.000000\n0.000000 0.000000 3.516501\nCr Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 4,
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"elements": [
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"volume": 43.484275214452296,
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"formula_full": "Cr1 Fe3",
"formula_reduced": "CrFe3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.769320975,
"spacegroup": 221
},
{
"id": "jvasp-35719",
"created_at": "2022-09-04T14:37:31.322002Z",
"updated_at": "2022-09-04T14:37:31.322024Z",
"structure_string": "Cr1 Fe3\n1.0\n2.820323 2.820323 0.000000\n2.820323 -0.000000 -2.820323\n0.000000 2.820323 -2.820323\nCr Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Fe\n0.749999 0.749999 0.749999 Fe\n0.499999 0.499999 0.499999 Fe\n",
"nsites": 4,
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"elements": [
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"volume": 44.86694951651408,
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"spacegroup": 225
},
{
"id": "jvasp-108813",
"created_at": "2022-09-04T14:38:27.973608Z",
"updated_at": "2022-09-04T14:38:27.973635Z",
"structure_string": "Cr1 Fe2 Te4\n1.0\n4.063131 -0.005376 -0.001417\n0.009551 7.026208 0.047546\n0.001845 -0.007784 5.410976\nCr Fe Te\n1 2 4\ndirect\n0.749999 0.250000 0.500000 Cr\n0.249999 0.750000 0.500001 Fe\n0.250000 0.750000 0.000000 Fe\n0.749991 0.910042 0.745334 Te\n0.249995 0.417763 0.753212 Te\n0.250003 0.082238 0.246788 Te\n0.750008 0.589958 0.254667 Te\n",
"nsites": 7,
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],
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"density_atomic": 0.0453143282191155,
"volume": 154.4765259710306,
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"formula_full": "Cr1 Fe2 Te4",
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"spacegroup": 10
},
{
"id": "jvasp-36168",
"created_at": "2022-09-04T14:37:31.784324Z",
"updated_at": "2022-09-04T14:37:31.784353Z",
"structure_string": "Cr1 Fe2 Sn1\n1.0\n2.977376 2.977376 0.000000\n2.977376 0.000000 -2.977376\n-0.000000 2.977376 -2.977376\nCr Fe Sn\n1 2 1\ndirect\n0.500001 0.500001 0.500001 Cr\n0.250000 0.250000 0.250000 Fe\n0.750001 0.750001 0.750001 Fe\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Cr1 Fe2 Sn1",
"formula_reduced": "CrFe2Sn",
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"spacegroup": 225
}
]
}