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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=271",
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"results": [
{
"id": "jvasp-44373",
"created_at": "2022-09-04T14:38:08.672899Z",
"updated_at": "2022-09-04T14:38:08.672915Z",
"structure_string": "Li4 Al2 Fe2 O8\n1.0\n4.996034 0.000808 0.000290\n-0.001063 5.413930 0.000275\n-0.004447 -0.000244 6.333841\nLi Al Fe O\n4 2 2 8\ndirect\n0.501132 0.668706 0.749779 Li\n0.001188 0.833014 0.502021 Li\n0.001153 0.330733 0.249786 Li\n0.501208 0.166421 0.002009 Li\n0.996080 0.832642 0.000313 Al\n0.496083 0.166793 0.500306 Al\n0.997844 0.333384 0.752614 Fe\n0.497836 0.666050 0.252612 Fe\n0.102662 0.146404 0.992684 O\n0.103685 0.668468 0.770807 O\n0.618920 0.317479 0.731891 O\n0.138410 0.178764 0.509341 O\n0.602653 0.853035 0.492678 O\n0.603689 0.330974 0.270796 O\n0.118913 0.681960 0.231901 O\n0.638405 0.820675 0.009337 O\n",
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{
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"updated_at": "2022-09-04T14:38:11.581349Z",
"structure_string": "Li1 Al2 Fe1 O6\n1.0\n4.901620 0.021512 -0.047411\n2.459826 4.239764 0.047411\n-0.883921 1.526993 4.885337\nLi Al Fe O\n1 2 1 6\ndirect\n0.500001 0.499999 0.500000 Li\n0.330954 0.330953 0.000000 Al\n0.669047 0.669045 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.081412 0.595358 0.201090 O\n0.256625 0.743375 0.800979 O\n0.595360 0.081410 0.798910 O\n0.404642 0.918588 0.201090 O\n0.743377 0.256623 0.199022 O\n0.918591 0.404639 0.798910 O\n",
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"volume": 100.55563428556792,
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"formula_full": "Li1 Al2 Fe1 O6",
"formula_reduced": "LiAl2FeO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 12
},
{
"id": "jvasp-44442",
"created_at": "2022-09-04T14:38:05.947193Z",
"updated_at": "2022-09-04T14:38:05.947221Z",
"structure_string": "Li6 Al4 Fe2 O12\n1.0\n5.308021 0.000691 0.024174\n-0.022888 5.783076 0.002908\n-1.120111 -0.106198 7.695421\nLi Al Fe O\n6 4 2 12\ndirect\n0.177718 0.842532 0.094142 Li\n0.346782 0.663161 0.419826 Li\n0.502309 0.833268 0.744375 Li\n0.497691 0.166732 0.255625 Li\n0.653218 0.336839 0.580174 Li\n0.822281 0.157468 0.905858 Li\n0.176089 0.167651 0.588161 Al\n0.657533 0.672544 0.078323 Al\n0.342467 0.327456 0.921677 Al\n0.823910 0.832350 0.411839 Al\n0.007644 0.330065 0.246406 Fe\n0.992355 0.669935 0.753594 Fe\n0.827542 0.816258 0.924841 O\n0.976011 0.666595 0.251333 O\n0.172458 0.183742 0.075159 O\n0.145547 0.850599 0.578904 O\n0.311700 0.323745 0.424702 O\n0.529851 0.829600 0.247068 O\n0.343228 0.644698 0.921861 O\n0.656771 0.355302 0.078139 O\n0.470148 0.170400 0.752932 O\n0.688299 0.676256 0.575298 O\n0.854453 0.149401 0.421096 O\n0.023988 0.333405 0.748667 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.1015304217343314,
"volume": 236.3823530921537,
"volume_molar": 5.931365847920712,
"formula_full": "Li6 Al4 Fe2 O12",
"formula_reduced": "Li3Al2FeO6",
"formula_anonymous": "AB2C3D6",
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"spacegroup": 2
},
{
"id": "jvasp-44426",
"created_at": "2022-09-04T14:38:20.408040Z",
"updated_at": "2022-09-04T14:38:20.408060Z",
"structure_string": "Li4 Al4 Fe4 O16\n1.0\n5.678600 0.000000 -0.000000\n-0.000000 5.678600 -0.000000\n-0.000000 -0.000000 7.939215\nLi Al Fe O\n4 4 4 16\ndirect\n0.000000 0.234182 0.000000 Li\n0.000000 0.765818 0.500000 Li\n0.234182 0.000000 0.250000 Li\n0.765818 0.000000 0.750000 Li\n0.253887 0.253887 0.625000 Al\n0.253887 0.746113 0.875001 Al\n0.746113 0.253887 0.375000 Al\n0.746113 0.746113 0.125000 Al\n0.760945 0.500000 0.750000 Fe\n0.500000 0.760945 0.500000 Fe\n0.500000 0.239055 0.000000 Fe\n0.239055 0.500000 0.250000 Fe\n0.731941 0.986194 0.490224 O\n0.731941 0.013806 0.009776 O\n0.733878 0.489403 0.988308 O\n0.733878 0.510597 0.511693 O\n0.510597 0.733878 0.738308 O\n0.510597 0.266122 0.761693 O\n0.489403 0.733878 0.261693 O\n0.013806 0.731941 0.240224 O\n0.266122 0.510597 0.488308 O\n0.266122 0.489403 0.011693 O\n0.268059 0.986194 0.509776 O\n0.268059 0.013806 0.990225 O\n0.986194 0.268059 0.740224 O\n0.013806 0.268059 0.259776 O\n0.489403 0.266122 0.238307 O\n0.986194 0.731941 0.759777 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.10936992442313541,
"volume": 256.01188030150144,
"volume_molar": 5.506212783599689,
"formula_full": "Li4 Al4 Fe4 O16",
"formula_reduced": "LiAlFeO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 95
},
{
"id": "jvasp-44912",
"created_at": "2022-09-04T14:38:01.272392Z",
"updated_at": "2022-09-04T14:38:01.272408Z",
"structure_string": "Li2 Al2 Fe1 O6\n1.0\n4.888601 0.007493 0.005228\n2.441186 4.235456 -0.005228\n-0.833646 1.440141 4.787995\nLi Al Fe O\n2 2 1 6\ndirect\n0.503024 0.503023 0.500001 Li\n0.845526 0.845525 0.500001 Li\n0.328279 0.328279 -0.000000 Al\n0.664217 0.664216 -0.000000 Al\n-0.000820 -0.000820 0.000000 Fe\n0.069617 0.603450 0.211932 O\n0.258482 0.730229 0.790981 O\n0.603449 0.069616 0.788069 O\n0.408995 0.921227 0.206601 O\n0.730229 0.258481 0.209020 O\n0.921227 0.408993 0.793400 O\n",
"nsites": 11,
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"elements": [
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"O"
],
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"density_atomic": 0.11097244076333665,
"volume": 99.12370967363825,
"volume_molar": 5.426699384618392,
"formula_full": "Li2 Al2 Fe1 O6",
"formula_reduced": "Li2Al2FeO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.264307463636363,
"spacegroup": 5
},
{
"id": "jvasp-21649",
"created_at": "2022-09-04T14:37:55.414014Z",
"updated_at": "2022-09-04T14:37:55.414035Z",
"structure_string": "Lu1 Al8 Fe4\n1.0\n4.656247 -0.000000 1.903309\n2.328124 6.112945 0.951655\n0.015143 -0.000000 6.610119\nLu Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n-0.000001 0.338277 0.661724 Al\n0.280080 0.219920 0.219921 Al\n0.500000 0.780079 0.219921 Al\n0.500000 0.219920 0.780080 Al\n0.719920 0.780079 0.780081 Al\n-0.000001 0.661722 0.338278 Al\n0.338276 0.661722 0.661724 Al\n0.661723 0.338277 0.338277 Al\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n-0.000000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n",
"nsites": 13,
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"elements": [
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],
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"volume": 187.97015482730174,
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"formula_full": "Lu1 Al8 Fe4",
"formula_reduced": "Lu(Al2Fe)4",
"formula_anonymous": "AB4C8",
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"spacegroup": 139
},
{
"id": "jvasp-54932",
"created_at": "2022-09-04T14:38:09.894893Z",
"updated_at": "2022-09-04T14:38:09.894920Z",
"structure_string": "Mg3 Al8 Fe1 Si6\n1.0\n3.399973 -5.888926 0.000000\n3.399973 5.888926 0.000000\n0.000000 0.000000 7.663752\nMg Al Fe Si\n3 8 1 6\ndirect\n-0.000000 0.574991 0.500000 Mg\n0.425008 0.425008 0.500000 Mg\n0.574991 -0.000000 0.500000 Mg\n0.353864 0.353864 0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000001 0.646136 0.000000 Al\n0.666667 0.333332 0.785034 Al\n0.666667 0.333332 0.214965 Al\n0.333332 0.666667 0.214965 Al\n0.333332 0.666667 0.785034 Al\n0.646136 -0.000001 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n-0.000000 0.245022 0.233737 Si\n0.245022 -0.000000 0.233737 Si\n-0.000000 0.245022 0.766262 Si\n0.754977 0.754977 0.766262 Si\n0.245022 -0.000000 0.766262 Si\n0.754977 0.754977 0.233737 Si\n",
"nsites": 18,
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"elements": [
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],
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"volume": 306.8901881018994,
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"formula_full": "Mg3 Al8 Fe1 Si6",
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},
{
"id": "jvasp-58352",
"created_at": "2022-09-04T14:37:49.871772Z",
"updated_at": "2022-09-04T14:37:49.871792Z",
"structure_string": "Mg3 Al9 Fe1 Si5\n1.0\n3.330756 -5.769039 0.000000\n3.330756 5.769039 0.000000\n0.000000 0.000000 7.913258\nMg Al Fe Si\n3 9 1 5\ndirect\n0.000000 0.584628 0.500000 Mg\n0.584628 0.000000 0.500000 Mg\n0.415373 0.415373 0.500000 Mg\n0.750002 0.750002 0.777422 Al\n0.750002 0.750002 0.222578 Al\n0.249999 0.000000 0.777422 Al\n0.249999 0.000000 0.222578 Al\n0.000000 0.249999 0.777422 Al\n0.000000 0.249999 0.222578 Al\n0.625764 0.000000 0.000000 Al\n0.374237 0.374237 0.000000 Al\n0.000000 0.625764 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.333334 0.666668 0.240958 Si\n0.666668 0.333334 0.759042 Si\n0.666668 0.333334 0.240958 Si\n0.000000 0.000000 0.500000 Si\n0.333334 0.666668 0.759042 Si\n",
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"formula_full": "Mg3 Al9 Fe1 Si5",
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},
{
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"created_at": "2022-09-04T14:37:07.309398Z",
"updated_at": "2022-09-04T14:37:07.309425Z",
"structure_string": "Mn1 Al1 Fe2\n1.0\n3.495316 0.000000 2.018021\n1.165105 3.295415 2.018021\n0.000000 0.000000 4.036042\nMn Al Fe\n1 1 2\ndirect\n0.750002 0.750001 0.749998 Mn\n0.000000 0.000000 0.000000 Al\n0.250001 0.250000 0.249999 Fe\n0.500001 0.500001 0.499999 Fe\n",
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"formula_full": "Mn1 Al1 Fe2",
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"spacegroup": 216
},
{
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"created_at": "2022-09-04T14:36:03.091220Z",
"updated_at": "2022-09-04T14:36:03.091240Z",
"structure_string": "Mn1 Al1 Fe2\n1.0\n3.470921 -0.000000 2.003937\n1.156974 3.272415 2.003937\n-0.000000 -0.000000 4.007874\nMn Al Fe\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Fe\n0.749999 0.750001 0.750000 Fe\n",
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},
{
"id": "jvasp-53265",
"created_at": "2022-09-04T14:35:48.397762Z",
"updated_at": "2022-09-04T14:35:48.397801Z",
"structure_string": "Al1 Fe2 Mo1\n1.0\n3.578326 -0.000001 2.065947\n1.192774 3.373680 2.065948\n-0.000001 -0.000000 4.131897\nAl Fe Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750001 Fe\n0.500000 0.500000 0.500001 Mo\n",
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],
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"formula_full": "Al1 Fe2 Mo1",
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},
{
"id": "jvasp-119225",
"created_at": "2022-09-04T14:38:49.944826Z",
"updated_at": "2022-09-04T14:38:49.944853Z",
"structure_string": "Al4 Fe2 N6\n1.0\n5.496204 0.002916 0.000000\n-2.749039 4.757478 0.000000\n-0.000000 -0.000000 5.029572\nAl Fe N\n4 2 6\ndirect\n0.335679 0.331469 0.492186 Al\n0.664320 0.995790 0.492186 Al\n0.664320 0.668532 0.992186 Al\n0.335679 0.004211 0.992186 Al\n0.000000 0.667242 0.483959 Fe\n0.000000 0.332759 0.983959 Fe\n0.346224 0.335480 0.870016 N\n0.653776 0.989256 0.870016 N\n0.653776 0.664522 0.370017 N\n0.346224 0.010745 0.370017 N\n0.000000 0.683650 0.879633 N\n0.000000 0.316350 0.379634 N\n",
"nsites": 12,
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"elements": [
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],
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"volume": 131.55391682578986,
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"formula_full": "Al4 Fe2 N6",
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"spacegroup": 36
}
]
}