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{
"id": "jvasp-8263",
"created_at": "2022-09-04T14:36:51.393076Z",
"updated_at": "2022-09-04T14:36:51.393087Z",
"structure_string": "Mg1 V2 O6\n1.0\n4.852190 0.000000 -2.507283\n0.000904 5.168367 0.001750\n-0.214803 0.002210 5.533018\nMg V O\n1 2 6\ndirect\n0.437760 0.513062 0.875519 Mg\n0.936874 0.013140 0.873748 V\n0.061122 0.512937 0.122247 V\n0.219944 0.269899 0.992685 O\n0.772645 0.756125 0.992512 O\n0.772742 0.269899 0.992685 O\n0.219867 0.756125 0.992512 O\n0.770094 0.013525 0.540187 O\n0.233572 0.512822 0.467145 O\n",
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{
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"created_at": "2022-09-04T14:35:43.817682Z",
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"structure_string": "Mg6 Ti1 Co1\n1.0\n6.262008 -0.147022 0.000000\n-3.258329 5.349548 0.000000\n0.000000 0.000000 4.682255\nMg Ti Co\n6 1 1\ndirect\n0.176400 0.844664 0.250000 Mg\n0.655337 0.323601 0.250000 Mg\n0.671837 0.828164 0.250000 Mg\n0.318391 0.662128 0.750001 Mg\n0.837873 0.181610 0.750001 Mg\n0.832821 0.667179 0.750001 Mg\n0.305936 0.194064 0.750001 Ti\n0.201406 0.298594 0.250000 Co\n",
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{
"id": "jvasp-35975",
"created_at": "2022-09-04T14:37:18.317017Z",
"updated_at": "2022-09-04T14:37:18.317027Z",
"structure_string": "Li1 Sc1 S2\n1.0\n-1.841495 -3.189565 -0.000000\n-3.682992 -0.000000 -0.000000\n-1.841495 -1.063188 -6.044945\nLi Sc S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.500001 0.500000 Sc\n0.752589 0.752592 0.742230 S\n0.247410 0.247410 0.257771 S\n",
"nsites": 4,
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"elements": [
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"volume": 71.01082958508078,
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"formula_full": "Li1 Sc1 S2",
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"spacegroup": 166
},
{
"id": "jvasp-98491",
"created_at": "2022-09-04T14:36:20.774214Z",
"updated_at": "2022-09-04T14:36:20.774229Z",
"structure_string": "Sn2 P2 Cl18\n1.0\n6.923251 -0.019140 -0.693271\n-1.082173 8.753604 -1.580833\n-0.008309 0.058880 9.460873\nSn P Cl\n2 2 18\ndirect\n0.381455 0.361956 0.316148 Sn\n0.618545 0.638044 0.683852 Sn\n0.047832 0.186409 0.777030 P\n0.952168 0.813591 0.222970 P\n0.625237 0.411451 0.792549 Cl\n0.158946 0.904945 0.125007 Cl\n0.841054 0.095055 0.874993 Cl\n0.741570 0.944193 0.232288 Cl\n0.258430 0.055807 0.767712 Cl\n0.059497 0.800784 0.419741 Cl\n0.940503 0.199215 0.580259 Cl\n0.150911 0.389334 0.886646 Cl\n0.849089 0.610666 0.113354 Cl\n0.724186 0.483006 0.446780 Cl\n0.483763 0.774621 0.889111 Cl\n0.516237 0.225378 0.110889 Cl\n0.960836 0.718141 0.763642 Cl\n0.039164 0.281858 0.236358 Cl\n0.583522 0.847398 0.555124 Cl\n0.416478 0.152602 0.444876 Cl\n0.374763 0.588549 0.207451 Cl\n0.275814 0.516994 0.553220 Cl\n",
"nsites": 22,
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"elements": [
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},
{
"id": "jvasp-46065",
"created_at": "2022-09-04T14:38:10.636276Z",
"updated_at": "2022-09-04T14:38:10.636292Z",
"structure_string": "K8 Mg8 O12\n1.0\n6.443983 -0.000000 -0.000000\n-0.000000 6.443983 -0.000000\n-0.000000 0.000000 10.306069\nK Mg O\n8 8 12\ndirect\n0.932411 0.735835 0.360195 K\n0.264165 0.067589 0.139805 K\n0.235835 0.567589 0.610195 K\n0.567589 0.235835 0.389805 K\n0.432411 0.764165 0.889805 K\n0.764165 0.432411 0.110195 K\n0.735835 0.932411 0.639805 K\n0.067589 0.264165 0.860195 K\n0.072138 0.222335 0.382513 Mg\n0.777664 0.927862 0.117487 Mg\n0.427862 0.722335 0.367487 Mg\n0.722335 0.427862 0.632513 Mg\n0.277665 0.572138 0.132513 Mg\n0.222335 0.072138 0.617487 Mg\n0.927862 0.777664 0.882513 Mg\n0.572138 0.277665 0.867487 Mg\n0.618670 0.618670 0.500000 O\n0.970405 0.263170 0.565587 O\n0.381329 0.381329 0.000000 O\n0.236830 0.470405 0.315587 O\n0.263170 0.970405 0.434414 O\n0.118671 0.881329 0.750000 O\n0.529595 0.763170 0.184414 O\n0.470405 0.236830 0.684414 O\n0.881329 0.118671 0.250000 O\n0.736830 0.029595 0.934414 O\n0.763170 0.529595 0.815587 O\n0.029595 0.736830 0.065587 O\n",
"nsites": 28,
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"elements": [
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"volume": 427.95865883486886,
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"formula_full": "K8 Mg8 O12",
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{
"id": "jvasp-56714",
"created_at": "2022-09-04T14:37:54.054108Z",
"updated_at": "2022-09-04T14:37:54.054137Z",
"structure_string": "K1 Ni1 P3 O9\n1.0\n5.993689 0.001396 -1.843036\n-2.495301 5.449566 -1.843036\n0.000895 0.001396 6.270653\nK Ni P O\n1 1 3 9\ndirect\n0.495091 0.495091 0.495090 K\n0.003081 0.003081 0.003081 Ni\n0.027689 0.898782 0.479139 P\n0.898782 0.479140 0.027688 P\n0.479141 0.027689 0.898781 P\n0.368663 0.102064 0.073975 O\n0.073976 0.368663 0.102063 O\n0.269552 0.864066 0.623425 O\n0.895546 0.945237 0.639499 O\n0.945237 0.639501 0.895544 O\n0.864066 0.623427 0.269551 O\n0.639501 0.895546 0.945235 O\n0.102064 0.073976 0.368663 O\n0.623427 0.269552 0.864065 O\n",
"nsites": 14,
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"density": 2.7129019228984044,
"density_atomic": 0.06833567302170629,
"volume": 204.87103413107542,
"volume_molar": 8.812587179886432,
"formula_full": "K1 Ni1 P3 O9",
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"formula_anonymous": "ABC3D9",
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{
"id": "jvasp-38248",
"created_at": "2022-09-04T14:37:41.506690Z",
"updated_at": "2022-09-04T14:37:41.506711Z",
"structure_string": "Rb3 Ga1\n1.0\n-3.278174 3.278174 4.643983\n3.278174 -3.278174 4.643983\n3.278174 3.278174 -4.643983\nRb Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ga\n",
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},
{
"id": "jvasp-44421",
"created_at": "2022-09-04T14:38:17.089972Z",
"updated_at": "2022-09-04T14:38:17.089997Z",
"structure_string": "Li2 Fe1 Si3 O8\n1.0\n5.061715 0.059029 -0.100887\n1.790591 5.890627 0.023285\n1.638704 1.074214 5.787475\nLi Fe Si O\n2 1 3 8\ndirect\n0.248312 0.645917 0.147467 Li\n0.777112 0.327868 0.862999 Li\n0.658556 0.301662 0.361755 Fe\n0.297578 0.120327 0.179373 Si\n0.331231 0.746430 0.609761 Si\n0.728469 0.880263 0.811393 Si\n0.983616 0.186776 0.123369 O\n0.063168 0.752083 0.840368 O\n0.438421 0.337736 0.107763 O\n0.340146 0.561985 0.462451 O\n0.712412 0.139198 0.668382 O\n0.286515 0.010294 0.457604 O\n0.506269 0.892892 0.059450 O\n0.628181 0.695171 0.709261 O\n",
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{
"id": "jvasp-34492",
"created_at": "2022-09-04T14:37:17.376145Z",
"updated_at": "2022-09-04T14:37:17.376177Z",
"structure_string": "K2 Na2 S2 O8\n1.0\n2.795717 -4.842323 0.000000\n2.795717 4.842323 -0.000000\n0.000000 0.000000 7.152087\nK Na S O\n2 2 2 8\ndirect\n0.333334 0.666667 0.660487 K\n0.666667 0.333334 0.339514 K\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.333334 0.666667 0.215126 S\n0.666667 0.333334 0.784875 S\n0.811423 0.622845 0.710678 O\n0.622845 0.811423 0.289323 O\n0.188578 0.377156 0.289323 O\n0.377156 0.188578 0.710678 O\n0.666667 0.333334 0.988645 O\n0.811422 0.188579 0.710678 O\n0.188579 0.811422 0.289323 O\n0.333334 0.666667 0.011355 O\n",
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{
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"created_at": "2022-09-04T14:37:04.045566Z",
"updated_at": "2022-09-04T14:37:04.045589Z",
"structure_string": "K4 Rb4 S4\n1.0\n4.983263 0.000000 0.000000\n-0.000000 8.175303 0.000000\n0.000000 0.000000 9.416222\nK Rb S\n4 4 4\ndirect\n0.750000 0.648923 0.424856 K\n0.250000 0.351076 0.575144 K\n0.750000 0.148924 0.075144 K\n0.250000 0.851076 0.924855 K\n0.250000 0.978164 0.319830 Rb\n0.750000 0.021836 0.680170 Rb\n0.250000 0.478164 0.180170 Rb\n0.750000 0.521836 0.819830 Rb\n0.250000 0.736798 0.608830 S\n0.750000 0.263202 0.391170 S\n0.250000 0.236798 0.891170 S\n0.750000 0.763202 0.108830 S\n",
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{
"id": "jvasp-86560",
"created_at": "2022-09-04T14:35:50.700484Z",
"updated_at": "2022-09-04T14:35:50.700514Z",
"structure_string": "Mn2 Cl2 O6\n1.0\n4.900191 0.000001 -0.000040\n-0.000038 5.715135 -2.132731\n0.000008 -0.125351 6.098814\nMn Cl O\n2 2 6\ndirect\n0.407540 0.672668 0.327334 Mn\n0.907542 0.327329 0.672662 Mn\n0.282758 0.870928 0.129118 Cl\n0.782751 0.129083 0.870879 Cl\n0.291572 0.793736 0.587943 O\n0.291565 0.412060 0.206236 O\n0.791558 0.206259 0.412057 O\n0.732370 0.670122 0.329908 O\n0.791571 0.587937 0.793756 O\n0.232373 0.329884 0.670106 O\n",
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"formula_full": "Mn2 Cl2 O6",
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},
{
"id": "jvasp-57134",
"created_at": "2022-09-04T14:38:31.564796Z",
"updated_at": "2022-09-04T14:38:31.564819Z",
"structure_string": "Na4 Ca2 P4 O14\n1.0\n5.422774 -0.002673 -0.001068\n0.133083 7.075323 0.056314\n0.131904 3.160811 8.324604\nNa Ca P O\n4 2 4 14\ndirect\n0.237637 0.868550 0.552900 Na\n0.726172 0.213821 0.013019 Na\n0.762361 0.131450 0.447099 Na\n0.273826 0.786179 0.986980 Na\n0.236588 0.246447 0.717784 Ca\n0.763410 0.753553 0.282214 Ca\n0.244194 0.119809 0.171462 P\n0.755804 0.880191 0.828537 P\n0.290070 0.429734 0.311869 P\n0.709928 0.570267 0.688130 P\n0.285055 0.131145 -0.001793 O\n0.273342 0.356922 0.155638 O\n0.982074 0.059768 0.233267 O\n0.843897 0.365589 0.748316 O\n0.565792 0.447175 0.337364 O\n0.834829 0.733143 0.545650 O\n0.714943 0.868855 0.001792 O\n0.017924 0.940232 0.766732 O\n0.726656 0.643078 0.844360 O\n0.156101 0.634411 0.251683 O\n0.447429 0.000074 0.286539 O\n0.552570 -0.000073 0.713460 O\n0.434206 0.552826 0.662634 O\n0.165169 0.266857 0.454349 O\n",
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}
]
}