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{
"id": "jvasp-49921",
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"structure_string": "Ga6 N2 O6\n1.0\n-4.178008 4.178008 -0.000000\n4.226905 0.048897 4.226905\n4.226905 4.226905 0.048897\nGa N O\n6 2 6\ndirect\n0.500000 -0.000000 -0.000000 Ga\n0.500000 0.000000 0.499999 Ga\n0.137520 0.275040 0.137520 Ga\n0.500001 0.500000 0.499999 Ga\n0.862481 0.724959 0.862479 Ga\n0.000000 0.500000 0.499999 Ga\n0.732283 0.464564 0.732281 N\n0.267719 0.535436 0.267718 N\n0.740197 0.000853 0.740195 O\n0.740197 0.480392 0.260656 O\n0.260657 0.000853 0.740195 O\n0.739344 0.999146 0.259804 O\n0.259804 0.999146 0.259804 O\n0.259804 0.519607 0.739343 O\n",
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"structure_string": "Li1 La2 Ir1\n1.0\n-0.000000 3.647898 3.647898\n3.647898 0.000000 3.647898\n3.647898 3.647898 0.000000\nLi La Ir\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.250001 0.250001 0.250001 Ir\n",
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{
"id": "jvasp-98732",
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"updated_at": "2022-09-04T14:37:51.714336Z",
"structure_string": "Na4 Te8 O18\n1.0\n6.961583 0.027061 0.016237\n2.675046 6.315444 2.648713\n0.006162 0.097505 10.540926\nNa Te O\n4 8 18\ndirect\n0.477402 0.773601 0.489360 Na\n0.522599 0.226398 0.510640 Na\n0.975995 0.818553 0.635693 Na\n0.024006 0.181445 0.364307 Na\n0.004117 0.724770 0.984374 Te\n0.460753 0.354562 0.791828 Te\n0.539247 0.645436 0.208173 Te\n0.508218 0.796356 0.802009 Te\n0.491782 0.203642 0.197992 Te\n0.028178 0.674364 0.329191 Te\n0.971823 0.325635 0.670810 Te\n0.995883 0.275229 0.015627 Te\n0.288965 0.306159 0.670010 O\n0.711035 0.693840 0.329991 O\n0.665912 0.340957 0.298685 O\n0.039860 0.142922 0.867302 O\n0.333747 0.511983 0.103878 O\n0.635164 0.854215 0.644807 O\n0.364836 0.145783 0.355194 O\n0.057467 0.503345 0.880045 O\n0.942533 0.496653 0.119956 O\n0.337689 0.669882 0.334280 O\n0.662312 0.330117 0.665721 O\n0.698238 0.872551 0.905354 O\n0.301762 0.127448 0.094647 O\n0.044261 0.119176 0.598873 O\n0.955739 0.880822 0.401127 O\n0.960141 0.857076 0.132699 O\n0.666253 0.488016 0.896122 O\n0.334089 0.659041 0.701315 O\n",
"nsites": 30,
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"formula_full": "Na4 Te8 O18",
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"formula_anonymous": "A2B4C9",
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"spacegroup": 2
},
{
"id": "jvasp-77305",
"created_at": "2022-09-04T14:37:51.814873Z",
"updated_at": "2022-09-04T14:37:51.814882Z",
"structure_string": "Al2 Tc1 Pd1\n1.0\n-8.657696 -0.000000 -4.998523\n-5.586817 -1.235467 -0.320395\n-4.165767 2.783872 -2.781727\nAl Tc Pd\n2 1 1\ndirect\n0.743702 0.000001 0.000001 Al\n0.256297 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Tc\n0.499999 0.000001 0.000000 Pd\n",
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{
"id": "jvasp-39859",
"created_at": "2022-09-04T14:37:51.820918Z",
"updated_at": "2022-09-04T14:37:51.820938Z",
"structure_string": "Li2 Mg1 Sn1\n1.0\n-0.000000 3.327497 3.327497\n3.327497 0.000000 3.327497\n3.327497 3.327497 -0.000000\nLi Mg Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250001 0.250001 0.250001 Mg\n0.750001 0.750001 0.750001 Sn\n",
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{
"id": "jvasp-64799",
"created_at": "2022-09-04T14:37:51.859422Z",
"updated_at": "2022-09-04T14:37:51.859440Z",
"structure_string": "Ba4 Tl1 Sb1\n1.0\n0.000000 5.006087 5.006087\n5.006087 0.000000 5.006087\n5.006087 5.006087 0.000000\nBa Tl Sb\n4 1 1\ndirect\n0.128520 0.623827 0.623827 Ba\n0.623827 0.623827 0.623827 Ba\n0.623827 0.128520 0.623827 Ba\n0.623827 0.623827 0.128520 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Sb\n",
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{
"id": "jvasp-21586",
"created_at": "2022-09-04T14:37:51.863219Z",
"updated_at": "2022-09-04T14:37:51.863230Z",
"structure_string": "Y2 Si6 Ni2\n1.0\n3.891337 0.000000 -0.727509\n0.000000 3.986611 0.000000\n-0.007448 0.000000 10.731009\nY Si Ni\n2 6 2\ndirect\n0.330982 0.500000 0.661965 Y\n0.669018 0.500000 0.338035 Y\n0.443786 0.000000 0.887573 Si\n0.556214 0.000000 0.112427 Si\n0.217583 0.000000 0.435165 Si\n0.782418 0.000000 0.564835 Si\n0.943791 0.500000 0.887580 Si\n0.056210 0.500000 0.112420 Si\n0.109915 0.000000 0.219831 Ni\n0.890085 0.000000 0.780169 Ni\n",
"nsites": 10,
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],
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"volume": 166.4511905840779,
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"formula_full": "Y2 Si6 Ni2",
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{
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"created_at": "2022-09-04T14:37:51.912640Z",
"updated_at": "2022-09-04T14:37:51.912649Z",
"structure_string": "Li1 Sc2 Hg1\n1.0\n-13.662038 -0.345185 -4.530669\n-8.348832 -0.590187 -0.356733\n-7.019597 2.264282 -1.881811\nLi Sc Hg\n1 2 1\ndirect\n0.024677 -0.149716 0.000082 Li\n0.482047 0.392963 -0.000062 Sc\n0.266636 0.108440 0.000012 Sc\n0.726641 -0.351685 -0.000035 Hg\n",
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{
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"created_at": "2022-09-04T14:37:52.309776Z",
"updated_at": "2022-09-04T14:37:52.309786Z",
"structure_string": "Li2 Zn1 Sn1\n1.0\n3.977302 -0.000000 2.296296\n1.325767 3.749836 2.296296\n-0.000000 -0.000000 4.592592\nLi Zn Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.750000 Li\n0.500000 0.500001 0.500000 Zn\n0.000000 0.000000 0.000000 Sn\n",
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{
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"structure_string": "Li1 Ag2 Pb1\n1.0\n0.000000 3.424609 3.424609\n3.424609 0.000000 3.424609\n3.424609 3.424609 -0.000000\nLi Ag Pb\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.499999 0.499999 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.750001 0.750001 0.750001 Pb\n",
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{
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"structure_string": "Mg1 Ta1 Rh2\n1.0\n-0.000000 3.141611 3.141611\n3.141611 0.000000 3.141611\n3.141611 3.141611 0.000000\nMg Ta Rh\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Mg\n0.749999 0.749999 0.749999 Ta\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
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{
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