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{
"id": "jvasp-98373",
"created_at": "2022-09-04T14:36:10.394986Z",
"updated_at": "2022-09-04T14:36:10.395015Z",
"structure_string": "Tl2 Zn4 Sb4\n1.0\n6.830440 0.085750 -1.899458\n-3.925207 5.590617 -1.899458\n-0.043888 -0.085750 7.089493\nTl Zn Sb\n2 4 4\ndirect\n0.769850 0.769850 -0.000000 Tl\n0.269840 0.269840 -0.000000 Tl\n0.770621 0.986880 0.499996 Zn\n0.986880 0.486883 0.216258 Zn\n0.486883 0.270625 0.500002 Zn\n0.270624 0.770622 0.783741 Zn\n0.833855 0.641597 0.500001 Sb\n0.333854 0.833856 0.192258 Sb\n0.641597 0.141595 0.807741 Sb\n0.141595 0.333854 0.499998 Sb\n",
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{
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"structure_string": "Ba1 Ca1 Tl1\n1.0\n-0.000000 3.968538 3.968538\n3.968538 0.000000 3.968538\n3.968538 3.968538 0.000000\nBa Ca Tl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Tl\n",
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{
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"updated_at": "2022-09-04T14:36:18.077021Z",
"structure_string": "Sn1 F4\n1.0\n3.758151 -0.000000 -1.707986\n-0.776245 3.677088 -1.708004\n-0.046486 -0.057353 4.886312\nSn F\n1 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.755610 0.755591 0.511222 F\n-0.000001 0.500000 0.000000 F\n0.500000 -0.000000 -0.000000 F\n0.244388 0.244411 0.488778 F\n",
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"volume": 66.78806318841849,
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"formula_full": "Sn1 F4",
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"spacegroup": 139
},
{
"id": "jvasp-94093",
"created_at": "2022-09-04T14:36:15.243023Z",
"updated_at": "2022-09-04T14:36:15.243054Z",
"structure_string": "Mg6 Cd1 Ni1\n1.0\n6.120839 -0.087992 0.000000\n-3.136623 5.432789 0.000000\n0.000000 0.000000 4.789002\nMg Cd Ni\n6 1 1\ndirect\n0.677041 0.335746 0.250000 Mg\n0.677042 0.841295 0.250000 Mg\n0.321035 0.175047 0.750000 Mg\n0.321035 0.645989 0.750000 Mg\n0.845594 0.172798 0.750000 Mg\n0.832885 0.666442 0.750000 Mg\n0.174069 0.837034 0.250000 Cd\n0.151300 0.325650 0.250000 Ni\n",
"nsites": 8,
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],
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"density_atomic": 0.050655990031333295,
"volume": 157.92801591779363,
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"formula_full": "Mg6 Cd1 Ni1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-99805",
"created_at": "2022-09-04T14:36:19.031066Z",
"updated_at": "2022-09-04T14:36:19.031076Z",
"structure_string": "Li1 Ca2 Pb1\n1.0\n4.683890 -0.000000 2.704245\n1.561297 4.416014 2.704245\n0.000000 0.000000 5.408491\nLi Ca Pb\n1 2 1\ndirect\n0.500000 0.500000 0.499999 Li\n0.750001 0.749999 0.749999 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.368392897759151,
"density_atomic": 0.0357558207312763,
"volume": 111.86989749339256,
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},
{
"id": "jvasp-93829",
"created_at": "2022-09-04T14:36:21.819536Z",
"updated_at": "2022-09-04T14:36:21.819545Z",
"structure_string": "Yb2 Sn2 Hg2\n1.0\n-2.409560 -4.173348 0.000000\n-2.409560 4.173348 0.000000\n0.000000 0.000000 -7.692973\nYb Sn Hg\n2 2 2\ndirect\n0.999995 0.000005 0.254123 Yb\n0.000005 0.999995 0.754123 Yb\n0.333330 0.666670 0.040021 Sn\n0.666670 0.333330 0.540021 Sn\n0.333330 0.666670 0.435856 Hg\n0.666670 0.333330 0.935856 Hg\n",
"nsites": 6,
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"elements": [
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"spacegroup": 186
},
{
"id": "jvasp-91742",
"created_at": "2022-09-04T14:36:14.073188Z",
"updated_at": "2022-09-04T14:36:14.073208Z",
"structure_string": "Ba1 Mg4 Ge3\n1.0\n4.642175 0.000000 -0.000000\n-0.000000 4.642175 -0.000000\n0.000000 -0.000000 8.772967\nBa Mg Ge\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.000000 0.680215 Mg\n0.000000 0.500001 0.680215 Mg\n0.500001 0.000000 0.319785 Mg\n0.000000 0.500001 0.319785 Mg\n0.000000 0.000000 0.500000 Ge\n0.500001 0.500001 0.850717 Ge\n0.500001 0.500001 0.149283 Ge\n",
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"density_atomic": 0.042315597201031604,
"volume": 189.055585390745,
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"formula_full": "Ba1 Mg4 Ge3",
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"spacegroup": 123
},
{
"id": "jvasp-69026",
"created_at": "2022-09-04T14:36:15.156598Z",
"updated_at": "2022-09-04T14:36:15.156626Z",
"structure_string": "Ba2 Sn1 Hg1\n1.0\n0.000000 4.210520 4.210520\n4.210520 0.000000 4.210520\n4.210520 4.210520 -0.000000\nBa Sn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"density": 6.606397625830391,
"density_atomic": 0.026793089318721087,
"volume": 149.2922280225852,
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"formula_full": "Ba2 Sn1 Hg1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-23862",
"created_at": "2022-09-04T14:37:43.311826Z",
"updated_at": "2022-09-04T14:37:43.311846Z",
"structure_string": "Na1 Cl1\n1.0\n3.436096 -0.000000 1.983832\n1.145365 3.239583 1.983832\n-0.000000 -0.000000 3.967662\nNa Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500000 0.499999 Cl\n",
"nsites": 2,
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"volume": 44.16610171670949,
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},
{
"id": "jvasp-42028",
"created_at": "2022-09-04T14:37:38.647330Z",
"updated_at": "2022-09-04T14:37:38.647355Z",
"structure_string": "Pr1 Mg1 Hg2\n1.0\n0.000000 3.667473 3.667473\n3.667473 -0.000000 3.667473\n3.667473 3.667473 0.000000\nPr Mg Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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"density": 9.5331392110601,
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},
{
"id": "jvasp-25605",
"created_at": "2022-09-04T14:37:42.533691Z",
"updated_at": "2022-09-04T14:37:42.533718Z",
"structure_string": "K6 Ca6 Al12 F54\n1.0\n7.146807 0.020792 0.000000\n-3.535986 6.210804 -0.000000\n-0.000000 0.000000 22.630399\nK Ca Al F\n6 6 12 54\ndirect\n0.009533 0.990465 0.000000 K\n0.961544 0.007003 0.833538 K\n0.990466 0.009534 0.500000 K\n0.007002 0.961543 0.666462 K\n0.992997 0.038456 0.166462 K\n0.038455 0.992996 0.333538 K\n0.498848 0.011784 0.083098 Ca\n0.011784 0.498847 0.416902 Ca\n0.483106 0.483106 0.750000 Ca\n0.988215 0.501152 0.916902 Ca\n0.516894 0.516893 0.250000 Ca\n0.501152 0.988215 0.583098 Ca\n0.516206 0.997383 0.413503 Al\n0.504558 0.487325 0.580048 Al\n0.512674 0.495441 0.419952 Al\n0.487325 0.504558 0.919952 Al\n0.019421 0.522053 0.246815 Al\n0.477946 0.980578 0.753185 Al\n0.997384 0.516206 0.086497 Al\n0.495441 0.512674 0.080048 Al\n0.483794 0.002616 0.913503 Al\n0.980578 0.477946 0.746815 Al\n0.522053 0.019421 0.253185 Al\n0.002616 0.483793 0.586497 Al\n0.452057 0.012133 0.333579 F\n0.325352 0.112636 0.770981 F\n0.987867 0.547942 0.666421 F\n0.965554 0.401191 0.823433 F\n0.132110 0.796861 0.105911 F\n0.291437 0.751355 0.237750 F\n0.034446 0.598808 0.323433 F\n0.550555 0.262710 0.433867 F\n0.874003 0.232771 0.070792 F\n0.774928 0.671487 0.913607 F\n0.708562 0.248644 0.737750 F\n0.023572 0.416305 0.510802 F\n0.583694 0.976427 0.489198 F\n0.671487 0.774928 0.586393 F\n0.357150 0.140893 0.238491 F\n0.328513 0.225071 0.086393 F\n0.859107 0.642850 0.761509 F\n0.449444 0.737289 0.933867 F\n0.335112 0.200771 0.570732 F\n0.112636 0.325352 0.729019 F\n0.140893 0.357149 0.261509 F\n0.203137 0.867888 0.894089 F\n0.416305 0.023572 0.989198 F\n0.664888 0.799228 0.070732 F\n0.767229 0.125997 0.929208 F\n0.474675 0.725612 0.400572 F\n0.274387 0.525324 0.599428 F\n0.737289 0.449444 0.566133 F\n0.449748 0.534407 0.843236 F\n0.225071 0.328512 0.413607 F\n0.799229 0.664888 0.429268 F\n0.534407 0.449747 0.656764 F\n0.248644 0.708562 0.762250 F\n0.401190 0.965553 0.676567 F\n0.477368 0.522631 0.500000 F\n0.887363 0.674647 0.229019 F\n0.465592 0.550252 0.156764 F\n0.200771 0.335112 0.929268 F\n0.796862 0.132111 0.394089 F\n0.867889 0.203138 0.605911 F\n0.550252 0.465592 0.343236 F\n0.642850 0.859106 0.738491 F\n0.547942 0.987866 0.833579 F\n0.012133 0.452057 0.166421 F\n0.725612 0.474675 0.099428 F\n0.598809 0.034446 0.176567 F\n0.232770 0.874002 0.429208 F\n0.522632 0.477368 0.000000 F\n0.525324 0.274387 0.900572 F\n0.674648 0.887363 0.270981 F\n0.125997 0.767228 0.570792 F\n0.976427 0.583694 0.010802 F\n0.751355 0.291437 0.262250 F\n0.262710 0.550555 0.066133 F\n",
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},
{
"id": "jvasp-22797",
"created_at": "2022-09-04T14:37:54.161810Z",
"updated_at": "2022-09-04T14:37:54.161835Z",
"structure_string": "Ga14 Ni6\n1.0\n6.920074 0.000000 -2.446616\n-3.460037 5.992960 -2.446616\n0.000000 -0.000000 7.339847\nGa Ni\n14 6\ndirect\n0.750000 0.250000 0.499999 Ga\n0.000000 0.000000 0.676852 Ga\n-0.000000 0.676851 -0.000001 Ga\n0.000000 0.000000 0.323149 Ga\n-0.000000 0.323149 -0.000000 Ga\n0.323148 0.000000 -0.000000 Ga\n0.323148 0.323149 0.323148 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.750000 0.499999 Ga\n0.676851 0.676851 0.676851 Ga\n0.250000 0.500000 0.750000 Ga\n0.749999 0.500000 0.249999 Ga\n0.499999 0.750000 0.249999 Ga\n0.676851 0.000000 -0.000001 Ga\n-0.000000 0.650489 0.650488 Ni\n0.349511 0.349511 -0.000001 Ni\n0.650488 0.650489 -0.000001 Ni\n0.650488 0.000000 0.650488 Ni\n0.349511 0.000000 0.349511 Ni\n-0.000000 0.349511 0.349511 Ni\n",
"nsites": 20,
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"volume": 304.3961286499717,
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"formula_full": "Ga14 Ni6",
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}
]
}