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{
"id": "jvasp-94794",
"created_at": "2022-09-04T14:35:41.626238Z",
"updated_at": "2022-09-04T14:35:41.626265Z",
"structure_string": "Mg7 V1\n1.0\n-4.358589 -4.358589 0.000000\n-4.358589 0.000000 -4.358589\n0.000000 -4.358589 -4.358589\nMg V\n7 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 V\n",
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{
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"structure_string": "Na1 I1\n1.0\n3.937125 0.000000 2.273100\n1.312375 3.711957 2.273100\n0.000000 0.000000 4.546201\nNa I\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500000 0.499999 I\n",
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{
"id": "jvasp-86695",
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"structure_string": "Rb2 Hg2 Pd1 Cl8\n1.0\n6.368097 0.039047 1.932409\n2.754388 5.741736 1.932409\n-0.037039 -0.023470 9.834079\nRb Hg Pd Cl\n2 2 1 8\ndirect\n0.397295 0.397295 0.829109 Rb\n0.602705 0.602706 0.170891 Rb\n0.866074 0.866075 0.400908 Hg\n0.133926 0.133926 0.599092 Hg\n0.000000 0.000000 0.000000 Pd\n0.085111 0.085111 0.305976 Cl\n0.106719 0.623961 0.134386 Cl\n0.647880 0.647881 0.503489 Cl\n0.376039 0.893282 0.865614 Cl\n0.352119 0.352120 0.496511 Cl\n0.623961 0.106720 0.134386 Cl\n0.893281 0.376040 0.865614 Cl\n0.914889 0.914890 0.694024 Cl\n",
"nsites": 13,
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"density": 4.449349676303782,
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{
"id": "jvasp-94115",
"created_at": "2022-09-04T14:35:41.419290Z",
"updated_at": "2022-09-04T14:35:41.419319Z",
"structure_string": "Na1 Mg6 Ni1\n1.0\n6.510806 -0.191421 0.000000\n-3.421179 5.542812 0.000000\n0.000000 0.000000 4.895492\nNa Mg Ni\n1 6 1\ndirect\n0.318985 0.181015 0.750000 Na\n0.177001 0.809142 0.250000 Mg\n0.690858 0.322999 0.250000 Mg\n0.676602 0.823398 0.250000 Mg\n0.325723 0.648742 0.750000 Mg\n0.851259 0.174277 0.750000 Mg\n0.835763 0.664237 0.750000 Mg\n0.123808 0.376192 0.250000 Ni\n",
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"formula_full": "Na1 Mg6 Ni1",
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"spacegroup": 38
},
{
"id": "jvasp-64129",
"created_at": "2022-09-04T14:35:42.097982Z",
"updated_at": "2022-09-04T14:35:42.098000Z",
"structure_string": "K1 Ba1 Zn1\n1.0\n-0.000000 4.073482 4.073482\n4.073482 0.000000 4.073482\n4.073482 4.073482 -0.000000\nK Ba Zn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 3,
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"elements": [
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"density": 2.9705686615919946,
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"volume": 135.18465605122591,
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"formula_full": "K1 Ba1 Zn1",
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{
"id": "jvasp-107921",
"created_at": "2022-09-04T14:35:41.297999Z",
"updated_at": "2022-09-04T14:35:41.298027Z",
"structure_string": "Er1 Tm1 Hg2\n1.0\n4.485163 -0.000000 2.589510\n1.495054 4.228653 2.589510\n-0.000000 -0.000000 5.179021\nEr Tm Hg\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Hg\n0.749999 0.750000 0.750001 Hg\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-98083",
"created_at": "2022-09-04T14:35:42.627827Z",
"updated_at": "2022-09-04T14:35:42.627838Z",
"structure_string": "Sb4 I4 Cl8 F24\n1.0\n7.809982 -0.002994 -0.000000\n-0.913610 7.756362 0.000000\n0.000000 0.000000 13.033347\nSb I Cl F\n4 4 8 24\ndirect\n0.300208 0.699792 0.559946 Sb\n0.199792 0.800208 0.059946 Sb\n0.800208 0.199792 0.940055 Sb\n0.699792 0.300208 0.440054 Sb\n0.336494 0.163506 0.750000 I\n0.663506 0.836494 0.250000 I\n0.836494 0.663506 0.750000 I\n0.163506 0.336494 0.250000 I\n0.793681 0.880248 0.634952 Cl\n0.293681 0.380248 0.865048 Cl\n0.380248 0.293682 0.134952 Cl\n0.706318 0.619752 0.134952 Cl\n0.880248 0.793682 0.365048 Cl\n0.619752 0.706319 0.865048 Cl\n0.119752 0.206319 0.634952 Cl\n0.206319 0.119752 0.365048 Cl\n0.526816 0.205685 0.534155 F\n0.473183 0.794315 0.465845 F\n0.294315 0.973183 0.965845 F\n0.145897 0.854103 0.509767 F\n0.876758 0.382384 0.339704 F\n0.882383 0.376759 0.839704 F\n0.794315 0.473184 0.534155 F\n0.623241 0.117617 0.839704 F\n0.382384 0.876759 0.660297 F\n0.645897 0.354103 -0.009767 F\n0.973183 0.294315 0.034155 F\n0.617616 0.123242 0.339704 F\n0.705685 0.026817 0.034155 F\n0.376758 0.882384 0.160297 F\n0.551508 0.448492 0.378311 F\n0.448492 0.551508 0.621689 F\n0.854103 0.145898 0.490234 F\n0.026816 0.705685 0.965845 F\n0.205685 0.526816 0.465845 F\n0.948492 0.051508 0.878311 F\n0.051508 0.948492 0.121689 F\n0.117616 0.623241 0.160297 F\n0.123241 0.617616 0.660297 F\n0.354103 0.645897 0.009767 F\n",
"nsites": 40,
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"elements": [
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"Cl",
"F"
],
"chemical_system": "Cl-F-I-Sb",
"density": 3.6476632444780224,
"density_atomic": 0.05066587429380191,
"volume": 789.4860309337108,
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"formula_full": "Sb4 I4 Cl8 F24",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 64
},
{
"id": "jvasp-93209",
"created_at": "2022-09-04T14:35:42.005075Z",
"updated_at": "2022-09-04T14:35:42.005102Z",
"structure_string": "K1 Na1 Mg6\n1.0\n7.386756 0.536134 0.000000\n-3.229073 5.592917 0.000000\n0.000000 0.000000 5.276143\nK Na Mg\n1 1 6\ndirect\n0.128688 0.314343 0.250000 K\n0.165836 0.832917 0.250000 Na\n0.649509 0.329561 0.250000 Mg\n0.649509 0.819946 0.250000 Mg\n0.389335 0.194703 0.750000 Mg\n0.389336 0.694633 0.750000 Mg\n0.787731 0.143866 0.750000 Mg\n0.840058 0.670029 0.750000 Mg\n",
"nsites": 8,
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"density_atomic": 0.03522519865014578,
"volume": 227.11014576398685,
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"formula_full": "K1 Na1 Mg6",
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"formula_anonymous": "ABC6",
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{
"id": "jvasp-65530",
"created_at": "2022-09-04T14:35:42.318327Z",
"updated_at": "2022-09-04T14:35:42.318358Z",
"structure_string": "K1 Ba1 Cd2\n1.0\n4.202187 -0.000000 0.000000\n0.000000 4.202187 -0.000000\n-0.000000 -0.000000 8.555293\nK Ba Cd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.736642 Cd\n0.000000 0.000000 0.263358 Cd\n",
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},
{
"id": "jvasp-2154",
"created_at": "2022-09-04T14:35:42.679069Z",
"updated_at": "2022-09-04T14:35:42.679091Z",
"structure_string": "Zn2 F4\n1.0\n4.745809 0.000000 0.000000\n0.000000 4.745809 0.000000\n0.000000 0.000000 3.179803\nZn F\n2 4\ndirect\n0.500000 0.500000 0.499999 Zn\n0.000000 0.000000 0.000000 Zn\n0.696844 0.696844 0.000000 F\n0.196843 0.803157 0.499999 F\n0.303157 0.303157 0.000000 F\n0.803157 0.196843 0.499999 F\n",
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{
"id": "jvasp-92934",
"created_at": "2022-09-04T14:35:41.878199Z",
"updated_at": "2022-09-04T14:35:41.878225Z",
"structure_string": "Rb1 Mg6 Cd1\n1.0\n8.921472 1.561687 0.000000\n-3.108274 5.383687 0.000000\n0.000000 0.000000 4.973431\nRb Mg Cd\n1 6 1\ndirect\n0.080827 0.290414 0.250000 Rb\n0.639756 0.327000 0.250000 Mg\n0.639756 0.812757 0.250000 Mg\n0.399919 0.204174 0.750000 Mg\n0.399919 0.695747 0.750000 Mg\n0.731182 0.115592 0.750000 Mg\n0.763240 0.631621 0.750000 Mg\n0.345404 0.922702 0.250000 Cd\n",
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{
"id": "jvasp-93192",
"created_at": "2022-09-04T14:35:44.815165Z",
"updated_at": "2022-09-04T14:35:44.815195Z",
"structure_string": "K1 Li1 Mg6\n1.0\n7.157030 0.450020 0.000000\n-3.188786 5.523139 0.000000\n0.000000 0.000000 5.219719\nK Li Mg\n1 1 6\ndirect\n0.116651 0.308326 0.250000 K\n0.213630 0.856814 0.250000 Li\n0.639859 0.327901 0.250000 Mg\n0.639859 0.811957 0.250000 Mg\n0.362999 0.177300 0.750000 Mg\n0.362999 0.685699 0.750000 Mg\n0.779437 0.139719 0.750000 Mg\n0.884567 0.692283 0.750000 Mg\n",
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}
]
}