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"structure_string": "Ca1 Mg6 Ti1\n1.0\n6.240971 -1.670677 0.000000\n-4.567333 7.910852 0.000000\n0.000000 0.000000 4.484952\nCa Mg Ti\n1 6 1\ndirect\n0.250044 0.375021 0.250000 Ca\n0.749969 0.374961 0.250000 Mg\n0.749969 0.875008 0.250000 Mg\n0.249968 0.107013 0.750000 Mg\n0.249968 0.642955 0.750000 Mg\n0.714084 0.107042 0.750000 Mg\n0.785994 0.642996 0.750000 Mg\n0.250004 0.875001 0.250000 Ti\n",
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{
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"structure_string": "Ba1 Ca1 Ni4 O8\n1.0\n2.656795 -4.601705 0.000000\n2.656795 4.601705 0.000000\n0.000000 -0.000000 7.655631\nBa Ca Ni O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333334 0.666668 0.760793 Ni\n0.666668 0.333334 0.760793 Ni\n0.333334 0.666668 0.239207 Ni\n0.666668 0.333334 0.239207 Ni\n0.334621 0.334621 0.701852 O\n0.665380 0.000001 0.701852 O\n0.000001 0.665380 0.701852 O\n0.665381 0.665381 0.298148 O\n0.000000 0.334620 0.298148 O\n0.334620 0.000000 0.298148 O\n0.333334 0.666668 0.000000 O\n0.666668 0.333334 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:37:54.261075Z",
"structure_string": "Te2 Mo2 W1 S4\n1.0\n3.306839 0.000002 0.000000\n-1.653418 2.860918 -0.129081\n0.000003 -1.030048 19.832824\nTe Mo W S\n2 2 1 4\ndirect\n0.523006 0.046013 0.918178 Te\n0.588301 0.176601 0.112514 Te\n0.222297 0.444595 0.015278 Mo\n0.670586 0.341174 0.356999 Mo\n0.440417 0.880836 0.668629 W\n0.363242 0.726487 0.434364 S\n0.747619 0.495238 0.590832 S\n0.799879 0.599759 0.746457 S\n0.311247 0.622495 0.279589 S\n",
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{
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"created_at": "2022-09-04T14:37:03.039958Z",
"updated_at": "2022-09-04T14:37:03.039982Z",
"structure_string": "Co6 O4 F8\n1.0\n-4.842721 4.842721 2.937760\n-0.214460 4.617257 -2.924129\n-4.617257 0.214460 -2.924129\nCo O F\n6 4 8\ndirect\n0.841167 0.649193 0.669827 Co\n0.335074 0.692761 0.645687 Co\n0.664927 0.354314 0.307239 Co\n0.158833 0.330173 0.350808 Co\n0.500000 0.988599 0.011402 Co\n0.000000 0.990024 0.009977 Co\n0.000000 0.687263 0.312738 O\n0.000000 0.292839 0.707162 O\n0.332809 0.980055 0.357507 O\n0.667191 0.642493 0.019946 O\n0.034116 0.765966 0.771688 F\n0.331262 0.374114 0.967858 F\n0.668739 0.032142 0.625887 F\n0.633493 0.563402 0.568126 F\n0.311578 0.904642 0.908163 F\n0.965884 0.228313 0.234034 F\n0.366508 0.431875 0.436598 F\n0.688422 0.091838 0.095358 F\n",
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"structure_string": "Cu3 Sb1 Se4\n1.0\n5.228823 -0.000000 -2.345325\n-1.051968 5.121910 -2.345325\n-0.003660 -0.004488 6.993245\nCu Sb Se\n3 1 4\ndirect\n0.749999 0.250000 0.499999 Cu\n0.499999 0.500000 -0.000001 Cu\n0.249999 0.750000 0.499999 Cu\n0.000000 0.000000 0.000000 Sb\n0.134080 0.134079 0.730850 Se\n0.596769 0.596770 0.730849 Se\n0.865920 0.403230 0.269150 Se\n0.403230 0.865920 0.269150 Se\n",
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"volume": 187.17993986402595,
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"formula_full": "Cu3 Sb1 Se4",
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{
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"created_at": "2022-09-04T14:36:53.820690Z",
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"structure_string": "Sm3 Ge4 Ru2\n1.0\n4.366138 0.000000 0.000000\n-2.183069 5.160896 -1.832914\n0.000000 -0.000146 8.305994\nSm Ge Ru\n3 4 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.621843 0.243687 0.697928 Sm\n0.378157 0.756313 0.302072 Sm\n0.291204 0.582408 0.920166 Ge\n0.708796 0.417592 0.079834 Ge\n0.903305 0.806609 0.598658 Ge\n0.096695 0.193391 0.401342 Ge\n0.315141 0.630282 0.637819 Ru\n0.684859 0.369718 0.362181 Ru\n",
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{
"id": "jvasp-47972",
"created_at": "2022-09-04T14:36:10.293643Z",
"updated_at": "2022-09-04T14:36:10.293672Z",
"structure_string": "Fe6 O6 F6\n1.0\n0.000000 4.623026 -0.002211\n2.940207 0.000000 0.000000\n0.000000 -0.351127 -13.768709\nFe O F\n6 6 6\ndirect\n0.091194 0.000000 0.169057 Fe\n0.908807 0.000000 0.830943 Fe\n-0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.457090 0.500000 0.664215 Fe\n0.542910 0.500000 0.335785 Fe\n0.236872 0.500000 0.099130 O\n0.364235 0.000000 0.272984 O\n0.279415 0.000000 0.601439 O\n0.635765 0.000000 0.727016 O\n0.720585 0.000000 0.398561 O\n0.763128 0.500000 0.900870 O\n0.843392 0.500000 0.239573 F\n0.764734 0.500000 0.570368 F\n0.730749 0.000000 0.072501 F\n0.269251 0.000000 0.927499 F\n0.156608 0.500000 0.760427 F\n0.235267 0.500000 0.429632 F\n",
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{
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"structure_string": "Sm5 Mg1\n1.0\n3.625919 0.000000 0.000000\n1.812959 9.037101 0.000000\n0.000000 0.000000 5.711409\nSm Mg\n5 1\ndirect\n0.994770 0.010463 0.000000 Sm\n0.326285 0.347430 0.000000 Sm\n0.665622 0.668756 0.000000 Sm\n0.446194 0.107612 0.500000 Sm\n0.119223 0.761557 0.500000 Sm\n0.781244 0.437514 0.500000 Mg\n",
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{
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"created_at": "2022-09-04T14:35:45.438958Z",
"updated_at": "2022-09-04T14:35:45.438983Z",
"structure_string": "Li2 Fe4 O4 F6\n1.0\n-3.686487 -0.002032 0.001952\n1.840742 4.826377 0.098987\n-0.006012 -0.334184 -10.526995\nLi Fe O F\n2 4 4 6\ndirect\n0.858581 0.722256 0.952522 Li\n0.138066 0.281205 0.047645 Li\n0.863290 0.731697 0.534341 Fe\n0.828516 0.662119 0.242051 Fe\n0.168134 0.341363 0.758118 Fe\n0.133350 0.271801 0.465830 Fe\n0.967319 0.939730 0.374129 O\n0.311758 0.628633 0.561290 O\n0.684882 0.374856 0.438884 O\n0.029325 0.063760 0.626041 O\n0.962631 0.930362 0.117511 F\n0.299174 0.603439 0.913222 F\n0.735805 0.476694 0.737769 F\n0.260843 0.526785 0.262406 F\n0.697468 0.400020 0.086955 F\n0.034023 0.073104 0.882651 F\n",
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"structure_string": "Al1 Zn1 Cu3 Se4\n1.0\n5.719719 0.000000 0.000000\n0.000000 5.719719 0.000000\n-0.000000 -0.000000 5.719719\nAl Zn Cu Se\n1 1 3 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.248592 0.248592 0.248592 Se\n0.751408 0.751408 0.248592 Se\n0.248592 0.751408 0.751408 Se\n0.751408 0.248592 0.751408 Se\n",
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{
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"structure_string": "Ca2 Mg1 P2 H4 O10\n1.0\n5.415653 -0.008383 -0.693504\n-2.072962 5.079739 -1.721537\n0.003400 -0.017527 6.812464\nCa Mg P H O\n2 1 2 4 10\ndirect\n0.652189 0.299831 0.761797 Ca\n0.347810 0.700169 0.238202 Ca\n0.000000 0.000000 0.000000 Mg\n0.666204 0.335005 0.245041 P\n0.333796 0.664995 0.754958 P\n0.851128 0.872478 0.601118 H\n0.919151 0.830267 0.316583 H\n0.080849 0.169734 0.683416 H\n0.148872 0.127522 0.398881 H\n0.594045 0.746828 0.930092 O\n0.897593 0.336032 0.130300 O\n0.102407 0.663968 0.869700 O\n0.930311 0.048546 0.722173 O\n0.363317 0.840333 0.622254 O\n0.720302 0.624895 0.385743 O\n0.279698 0.375105 0.614256 O\n0.069689 0.951454 0.277826 O\n0.405955 0.253173 0.069908 O\n0.636683 0.159667 0.377746 O\n",
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}