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{
"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",
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{
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"created_at": "2022-09-04T14:38:01.439323Z",
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"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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{
"id": "jvasp-15031",
"created_at": "2022-09-04T14:36:46.028749Z",
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"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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"spacegroup": 225
},
{
"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",
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"density_atomic": 0.06293779930454917,
"volume": 47.66610897027598,
"volume_molar": 9.568400590016687,
"formula_full": "Li1 Zn1 P1",
"formula_reduced": "LiZnP",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"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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"formula_full": "Li4 Mn4 F12",
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"spacegroup": 62
},
{
"id": "jvasp-100170",
"created_at": "2022-09-04T14:36:31.541858Z",
"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",
"nsites": 4,
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"elements": [
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"spacegroup": 139
},
{
"id": "jvasp-119346",
"created_at": "2022-09-04T14:38:48.077116Z",
"updated_at": "2022-09-04T14:38:48.077139Z",
"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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"density_atomic": 0.09236642112291628,
"volume": 151.57023331422087,
"volume_molar": 6.519837714601996,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"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",
"nsites": 4,
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},
{
"id": "jvasp-48617",
"created_at": "2022-09-04T14:36:48.784486Z",
"updated_at": "2022-09-04T14:36:48.784503Z",
"structure_string": "Li6 Mn2 F10\n1.0\n5.049349 0.116840 0.027942\n-2.159727 5.152979 -0.030903\n-2.382490 -2.032924 7.109661\nLi Mn F\n6 2 10\ndirect\n0.682733 0.455785 0.908867 Li\n0.330645 0.973414 0.697873 Li\n0.939060 0.564113 0.297480 Li\n0.060940 0.435888 0.702520 Li\n0.669355 0.026588 0.302128 Li\n0.317267 0.544216 0.091133 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.252032 0.249822 0.860912 F\n0.365893 0.737997 0.331365 F\n0.119803 0.701719 0.926539 F\n0.446274 0.252274 0.239425 F\n0.954899 0.716199 0.537676 F\n0.634108 0.262004 0.668635 F\n0.747968 0.750179 0.139088 F\n0.045101 0.283802 0.462324 F\n0.880197 0.298282 0.073461 F\n0.553726 0.747727 0.760575 F\n",
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"formula_full": "Li6 Mn2 F10",
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"spacegroup": 2
},
{
"id": "jvasp-64150",
"created_at": "2022-09-04T14:36:03.838298Z",
"updated_at": "2022-09-04T14:36:03.838329Z",
"structure_string": "Ba4 Li1 Be1\n1.0\n-0.000000 5.153770 5.153770\n5.153770 0.000000 5.153770\n5.153770 5.153770 0.000000\nBa Li Be\n4 1 1\ndirect\n0.128128 0.623957 0.623957 Ba\n0.623957 0.623957 0.623957 Ba\n0.623957 0.128128 0.623957 Ba\n0.623957 0.623957 0.128128 Ba\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Be\n",
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{
"id": "jvasp-116121",
"created_at": "2022-09-04T14:38:40.823017Z",
"updated_at": "2022-09-04T14:38:40.823036Z",
"structure_string": "Rb1 Ge1 Se1\n1.0\n4.099640 -0.000000 0.000000\n-0.000000 4.099640 -0.000000\n-0.000000 -0.000000 8.749033\nRb Ge Se\n1 1 1\ndirect\n0.000000 0.000000 0.642158 Rb\n0.000000 0.000000 0.254161 Ge\n0.000000 0.000000 0.002102 Se\n",
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{
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"created_at": "2022-09-04T14:38:52.843600Z",
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"structure_string": "Rb1 Bi1 Se1\n1.0\n3.731552 -0.000000 0.000000\n-0.000000 3.731552 -0.000000\n0.000000 -0.000000 9.123944\nRb Bi Se\n1 1 1\ndirect\n0.000000 0.000000 0.662961 Rb\n0.000000 0.000000 0.278648 Bi\n0.000000 0.000000 -0.001434 Se\n",
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