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{
"id": "jvasp-101104",
"created_at": "2022-09-04T14:36:36.170732Z",
"updated_at": "2022-09-04T14:36:36.170757Z",
"structure_string": "Tb2 In1 Ag1\n1.0\n3.615669 -0.000000 0.000000\n0.000000 3.615669 0.000000\n-0.000000 -0.000000 7.705879\nTb In Ag\n2 1 1\ndirect\n0.500000 0.500000 0.236876 Tb\n0.500000 0.500000 0.763124 Tb\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n",
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{
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"structure_string": "Li4 Mn2 F8\n1.0\n5.182909 -0.000000 2.992354\n1.727636 4.886494 2.992354\n-0.000000 -0.000000 5.984708\nLi Mn F\n4 2 8\ndirect\n0.625001 0.625000 0.124999 Li\n0.625001 0.625000 0.624999 Li\n0.625000 0.125000 0.625000 Li\n0.125001 0.625000 0.625000 Li\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.864355 0.864353 0.406936 F\n0.864354 0.406937 0.864353 F\n0.864355 0.864353 0.864353 F\n0.406938 0.864353 0.864353 F\n0.843063 0.385646 0.385645 F\n0.385646 0.385646 0.385646 F\n0.385647 0.843062 0.385645 F\n0.385646 0.385646 0.843063 F\n",
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{
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"updated_at": "2022-09-04T14:36:31.541909Z",
"structure_string": "Cu3 Rh1\n1.0\n3.385928 -0.020352 -2.937724\n-0.718037 3.308980 -2.937724\n0.016510 0.020352 4.482685\nCu Rh\n3 1\ndirect\n0.750000 0.250000 0.500001 Cu\n0.249999 0.750000 0.500000 Cu\n0.500000 0.500000 0.000001 Cu\n0.000000 0.000000 0.000000 Rh\n",
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},
{
"id": "jvasp-43849",
"created_at": "2022-09-04T14:36:31.440624Z",
"updated_at": "2022-09-04T14:36:31.440651Z",
"structure_string": "Li4 Mn4 F12\n1.0\n5.024906 -0.000000 0.000000\n-0.000000 5.368940 0.000000\n0.000000 0.000000 7.612507\nLi Mn F\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.966418 0.078023 0.250000 Mn\n0.466418 0.421977 0.750000 Mn\n0.533583 0.578023 0.250000 Mn\n0.033582 0.921977 0.750000 Mn\n0.810274 0.808501 0.074285 F\n0.310274 0.691499 0.574286 F\n0.310274 0.691499 0.925715 F\n0.855942 0.561734 0.750000 F\n0.144059 0.438266 0.250000 F\n0.189727 0.191499 0.925715 F\n0.689727 0.308501 0.074285 F\n0.189727 0.191499 0.574286 F\n0.810274 0.808501 0.425715 F\n0.644059 0.061734 0.750000 F\n0.689727 0.308501 0.425715 F\n0.355942 0.938266 0.250000 F\n",
"nsites": 20,
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"elements": [
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"chemical_system": "F-Li-Mn",
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"density_atomic": 0.09738359395221338,
"volume": 205.37340211344122,
"volume_molar": 6.183937679436123,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
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{
"id": "jvasp-1687",
"created_at": "2022-09-04T14:37:00.554259Z",
"updated_at": "2022-09-04T14:37:00.554282Z",
"structure_string": "Li1 Zn1 P1\n1.0\n3.524565 -0.000000 2.034908\n1.174855 3.322992 2.034908\n0.000000 0.000000 4.069817\nLi Zn P\n1 1 1\ndirect\n0.750002 0.750000 0.750000 Li\n0.250001 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
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"P"
],
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{
"id": "jvasp-15031",
"created_at": "2022-09-04T14:36:46.028749Z",
"updated_at": "2022-09-04T14:36:46.028770Z",
"structure_string": "Tb1 Sb1\n1.0\n3.800759 0.000000 2.194369\n1.266920 3.583390 2.194369\n0.000000 0.000000 4.388739\nTb Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n",
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"elements": [
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"density": 7.79766690470082,
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"volume": 59.77287755345292,
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"spacegroup": 225
},
{
"id": "jvasp-40812",
"created_at": "2022-09-04T14:38:01.439323Z",
"updated_at": "2022-09-04T14:38:01.439341Z",
"structure_string": "Na1 Mg1 P1\n1.0\n3.870415 0.000000 2.234585\n1.290138 3.649062 2.234585\n0.000000 0.000000 4.469170\nNa Mg P\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Mg\n0.000000 0.000000 0.000000 P\n",
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"volume": 63.11980541529349,
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-44000",
"created_at": "2022-09-04T14:36:08.664261Z",
"updated_at": "2022-09-04T14:36:08.664288Z",
"structure_string": "Li2 Mn2 F6\n1.0\n2.570370 -4.452012 0.000000\n2.570370 4.452012 0.000000\n-0.000000 0.000000 4.791313\nLi Mn F\n2 2 6\ndirect\n0.000000 0.000000 0.568364 Li\n0.000000 0.000000 0.068364 Li\n0.666667 0.333333 0.068464 Mn\n0.333333 0.666667 0.568464 Mn\n0.309357 -0.000118 0.318290 F\n0.690526 0.690643 0.318290 F\n-0.000118 0.690526 0.818290 F\n0.000119 0.309474 0.318290 F\n0.309474 0.309357 0.818290 F\n0.690643 0.000119 0.818290 F\n",
"nsites": 10,
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"volume": 109.65703740222493,
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"formula_full": "Li2 Mn2 F6",
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"spacegroup": 182
},
{
"id": "jvasp-8724",
"created_at": "2022-09-04T14:37:04.334235Z",
"updated_at": "2022-09-04T14:37:04.334261Z",
"structure_string": "Mg6 Ir2\n1.0\n2.283124 -3.954487 -0.000000\n2.283124 3.954487 -0.000000\n0.000000 0.000000 8.246349\nMg Ir\n6 2\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333332 0.666666 0.577715 Mg\n0.666666 0.333332 0.077715 Mg\n0.666666 0.333332 0.422286 Mg\n0.333332 0.666666 0.922286 Mg\n0.333332 0.666666 0.250000 Ir\n0.666666 0.333332 0.750000 Ir\n",
"nsites": 8,
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},
{
"id": "jvasp-120144",
"created_at": "2022-09-04T14:38:53.004172Z",
"updated_at": "2022-09-04T14:38:53.004186Z",
"structure_string": "Sn1 H1 F2\n1.0\n3.577139 0.000000 0.000000\n-0.000000 3.577139 0.000000\n-0.000000 0.000000 4.736451\nSn H F\n1 1 2\ndirect\n0.500001 0.500001 0.485457 Sn\n0.000000 -0.000000 0.056992 H\n0.000000 -0.000000 0.549993 F\n0.500001 0.500001 -0.082442 F\n",
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},
{
"id": "jvasp-88753",
"created_at": "2022-09-04T14:35:59.109463Z",
"updated_at": "2022-09-04T14:35:59.109490Z",
"structure_string": "Tl4 Fe4 Br12\n1.0\n3.919334 0.000000 0.000000\n-0.000000 9.256743 0.000000\n0.000000 0.000000 15.148554\nTl Fe Br\n4 4 12\ndirect\n0.749999 0.559957 0.172078 Tl\n0.250000 0.440043 0.827922 Tl\n0.749999 0.059957 0.327922 Tl\n0.250000 0.940043 0.672078 Tl\n0.250000 0.155732 0.054699 Fe\n0.749999 0.844268 0.945301 Fe\n0.749999 0.344268 0.554699 Fe\n0.250000 0.655732 0.445301 Fe\n0.749999 0.725838 0.794603 Br\n0.749999 0.322679 0.997968 Br\n0.749999 0.225838 0.705396 Br\n0.250000 0.774162 0.294603 Br\n0.749999 0.973611 0.101248 Br\n0.250000 0.026388 0.898751 Br\n0.749999 0.473611 0.398752 Br\n0.250000 0.526388 0.601248 Br\n0.250000 0.177321 0.497968 Br\n0.749999 0.822679 0.502031 Br\n0.250000 0.677321 0.002031 Br\n0.250000 0.274162 0.205396 Br\n",
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{
"id": "jvasp-90176",
"created_at": "2022-09-04T14:36:06.665766Z",
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