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{
"id": "jvasp-40253",
"created_at": "2022-09-04T14:37:54.619370Z",
"updated_at": "2022-09-04T14:37:54.619389Z",
"structure_string": "Sm1 Zn2 Ag1\n1.0\n-0.000002 3.384813 3.384817\n3.384817 0.000000 3.384815\n3.384818 3.384812 -0.000001\nSm Zn Ag\n1 2 1\ndirect\n0.749999 0.750001 0.750000 Sm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500002 0.500001 Zn\n0.250001 0.250001 0.250001 Ag\n",
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{
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"created_at": "2022-09-04T14:37:46.017815Z",
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"structure_string": "Zn3 Rh1\n1.0\n-1.855531 1.855531 4.083763\n1.855531 -1.855531 4.083763\n1.855531 1.855531 -4.083763\nZn Rh\n3 1\ndirect\n0.750000 0.250001 0.500000 Zn\n0.250001 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-41506",
"created_at": "2022-09-04T14:37:50.802158Z",
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"structure_string": "Zn3 Ir1\n1.0\n-1.864384 1.864384 4.071942\n1.864384 -1.864384 4.071942\n1.864384 1.864384 -4.071942\nZn Ir\n3 1\ndirect\n0.749998 0.250000 0.499998 Zn\n0.250000 0.749998 0.499998 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Ir\n",
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{
"id": "jvasp-14049",
"created_at": "2022-09-04T14:37:47.238694Z",
"updated_at": "2022-09-04T14:37:47.238713Z",
"structure_string": "K4 Au4 Br16\n1.0\n0.000000 9.008377 0.088589\n6.634136 0.000000 0.000000\n0.000000 -1.778084 -12.749241\nK Au Br\n4 4 16\ndirect\n0.203796 0.557674 0.181318 K\n0.203796 0.942327 0.681318 K\n0.796205 0.442326 0.818682 K\n0.796205 0.057674 0.318682 K\n0.500000 0.500000 0.500000 Au\n0.500000 0.000000 -0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.493955 0.340413 0.325796 Br\n0.506045 0.840413 0.174204 Br\n0.096561 0.442578 0.688232 Br\n0.903440 0.942579 0.811768 Br\n0.903440 0.557422 0.311768 Br\n0.096561 0.057422 0.188232 Br\n0.856870 0.798191 0.544656 Br\n0.333768 0.726418 0.921343 Br\n0.143131 0.201810 0.455344 Br\n0.856870 0.701810 0.044656 Br\n0.493955 0.159587 0.825796 Br\n0.333768 0.773583 0.421343 Br\n0.666232 0.273583 0.078657 Br\n0.666232 0.226417 0.578657 Br\n0.143131 0.298191 0.955344 Br\n0.506046 0.659588 0.674204 Br\n",
"nsites": 24,
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"elements": [
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"Au",
"Br"
],
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"density": 4.850821914546226,
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"volume": 760.8853161726959,
"volume_molar": 19.092326984204494,
"formula_full": "K4 Au4 Br16",
"formula_reduced": "KAuBr4",
"formula_anonymous": "ABC4",
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"spacegroup": 14
},
{
"id": "jvasp-40431",
"created_at": "2022-09-04T14:37:43.562953Z",
"updated_at": "2022-09-04T14:37:43.562984Z",
"structure_string": "Ac1 Cd1 Ag2\n1.0\n0.000000 3.705012 3.705012\n3.705012 0.000000 3.705012\n3.705012 3.705012 -0.000000\nAc Cd Ag\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750001 0.750001 0.750001 Cd\n0.500001 0.500001 0.500001 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"density": 9.06271985048776,
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"volume": 101.71824359900111,
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"formula_full": "Ac1 Cd1 Ag2",
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{
"id": "jvasp-37573",
"created_at": "2022-09-04T14:37:54.866520Z",
"updated_at": "2022-09-04T14:37:54.866533Z",
"structure_string": "Tl6 Bi2 Cl12\n1.0\n8.969517 0.000000 0.000000\n-0.000000 8.969517 0.000000\n0.000000 0.000000 7.441974\nTl Bi Cl\n6 2 12\ndirect\n0.500000 0.500000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.266411 0.082168 0.000000 Tl\n0.733589 0.917833 0.000000 Tl\n0.082168 0.733589 0.500000 Tl\n0.917833 0.266411 0.500000 Tl\n0.000000 0.500000 0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.797579 0.934711 0.500000 Cl\n0.202421 0.065289 0.500000 Cl\n0.205768 0.434036 0.257576 Cl\n0.794232 0.565964 0.257576 Cl\n0.565964 0.205768 0.757576 Cl\n0.434036 0.794232 0.242423 Cl\n0.794232 0.565964 0.742423 Cl\n0.205768 0.434036 0.742423 Cl\n0.065289 0.797579 0.000000 Cl\n0.565964 0.205768 0.242423 Cl\n0.434036 0.794232 0.757576 Cl\n0.934711 0.202421 0.000000 Cl\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.033404404393847446,
"volume": 598.7234426991812,
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"formula_full": "Tl6 Bi2 Cl12",
"formula_reduced": "Tl3BiCl6",
"formula_anonymous": "AB3C6",
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"spacegroup": 84
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{
"id": "jvasp-106209",
"created_at": "2022-09-04T14:37:47.263774Z",
"updated_at": "2022-09-04T14:37:47.263800Z",
"structure_string": "Rb2 Hg1 Bi1 F6\n1.0\n5.862489 0.000000 3.384709\n1.954163 5.527208 3.384709\n0.000000 0.000000 6.769420\nRb Hg Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.764340 0.235660 0.235660 F\n0.235660 0.235660 0.764340 F\n0.235660 0.764340 0.764340 F\n0.235660 0.764340 0.235660 F\n0.764340 0.235660 0.764340 F\n0.764340 0.764340 0.235660 F\n",
"nsites": 10,
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"F"
],
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"density": 5.257506267082662,
"density_atomic": 0.04558906557699278,
"volume": 219.35084374808184,
"volume_molar": 13.209616568757149,
"formula_full": "Rb2 Hg1 Bi1 F6",
"formula_reduced": "Rb2HgBiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40563",
"created_at": "2022-09-04T14:37:40.547218Z",
"updated_at": "2022-09-04T14:37:40.547249Z",
"structure_string": "La1 Mg1 Cd2\n1.0\n-0.000000 3.712885 3.712885\n3.712885 -0.000000 3.712885\n3.712885 3.712885 0.000000\nLa Mg Cd\n1 1 2\ndirect\n0.250001 0.250001 0.250001 La\n0.749999 0.749999 0.749999 Mg\n0.499998 0.499998 0.499998 Cd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"Mg",
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],
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"density": 6.294375912114653,
"density_atomic": 0.03907468645828242,
"volume": 102.36806389401352,
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"formula_full": "La1 Mg1 Cd2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40017",
"created_at": "2022-09-04T14:37:54.549455Z",
"updated_at": "2022-09-04T14:37:54.549474Z",
"structure_string": "Lu2 Tl1 Cd1\n1.0\n-0.000000 3.671030 3.671030\n3.671030 0.000000 3.671030\n3.671030 3.671030 0.000000\nLu Tl Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500001 0.500001 0.500001 Lu\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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{
"id": "jvasp-42006",
"created_at": "2022-09-04T14:37:40.531494Z",
"updated_at": "2022-09-04T14:37:40.531514Z",
"structure_string": "Pm2 Zn6\n1.0\n3.219207 -5.575830 -0.000000\n3.219207 5.575830 0.000000\n0.000000 -0.000000 4.418223\nPm Zn\n2 6\ndirect\n0.333333 0.666667 0.250000 Pm\n0.666667 0.333333 0.749999 Pm\n0.707579 0.853790 0.749999 Zn\n0.146211 0.292421 0.749999 Zn\n0.146211 0.853790 0.749999 Zn\n0.292421 0.146211 0.250000 Zn\n0.853790 0.707579 0.250000 Zn\n0.853790 0.146211 0.250000 Zn\n",
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},
{
"id": "jvasp-39273",
"created_at": "2022-09-04T14:37:55.995152Z",
"updated_at": "2022-09-04T14:37:55.995180Z",
"structure_string": "K3 Sm1\n1.0\n-2.886170 2.886170 6.503844\n2.886170 -2.886170 6.503844\n2.886170 2.886170 -6.503844\nK Sm\n3 1\ndirect\n0.750001 0.250000 0.500001 K\n0.250000 0.750001 0.500001 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Sm\n",
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},
{
"id": "jvasp-40507",
"created_at": "2022-09-04T14:38:01.045779Z",
"updated_at": "2022-09-04T14:38:01.045797Z",
"structure_string": "Dy1 Mg1 Cd2\n1.0\n0.000000 3.576138 3.576138\n3.576138 0.000000 3.576138\n3.576138 3.576138 0.000000\nDy Mg Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Dy\n0.750002 0.750002 0.750002 Mg\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n",
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