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{
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"results": [
{
"id": "mp-1210704",
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"structure_string": "Mg4 Ta8 O18\n1.0\n2.637596 -4.568450 0.000000\n2.637596 4.568450 0.000000\n0.000000 0.000000 14.089681\nMg Ta O\n4 8 18\ndirect\n0.000000 0.000000 0.651449 Mg\n0.000000 0.000000 0.348551 Mg\n0.000000 0.000000 0.848551 Mg\n0.000000 0.000000 0.151449 Mg\n0.333333 0.666667 0.508978 Ta\n0.666667 0.333333 0.491022 Ta\n0.666667 0.333333 0.991022 Ta\n0.333333 0.666667 0.008978 Ta\n0.333333 0.666667 0.820223 Ta\n0.666667 0.333333 0.179777 Ta\n0.666667 0.333333 0.679777 Ta\n0.333333 0.666667 0.320223 Ta\n0.341673 0.331279 0.588188 O\n0.658327 0.668721 0.411812 O\n0.668721 0.010395 0.588188 O\n0.331279 0.341673 0.911812 O\n0.331279 0.989605 0.411812 O\n0.668721 0.658327 0.088188 O\n0.989605 0.658327 0.588188 O\n0.010395 0.668721 0.911812 O\n0.010395 0.341673 0.411812 O\n0.989605 0.331279 0.088188 O\n0.658327 0.989605 0.911812 O\n0.341673 0.010395 0.088188 O\n0.314097 0.000000 0.750000 O\n0.685903 0.000000 0.250000 O\n0.000000 0.314097 0.750000 O\n0.000000 0.685903 0.250000 O\n0.685903 0.685903 0.750000 O\n0.314097 0.314097 0.250000 O\n",
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{
"id": "mp-1048867",
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"structure_string": "V12 Zn6 O24\n1.0\n3.033533 -5.254234 0.000000\n3.033533 5.254234 0.000000\n0.000000 0.000000 14.912404\nV Zn O\n12 6 24\ndirect\n0.834492 0.165508 0.167046 V\n0.331015 0.165508 0.167046 V\n0.500221 0.499779 0.499442 V\n0.834492 0.668985 0.167046 V\n0.666667 0.333333 0.333123 V\n0.999559 0.499779 0.499442 V\n0.167413 0.832587 0.832986 V\n0.500221 0.000441 0.499442 V\n0.167413 0.334826 0.832986 V\n0.333333 0.666667 0.665429 V\n0.665174 0.832587 0.832986 V\n0.666667 0.333333 0.958503 V\n0.333333 0.666667 0.046713 Zn\n0.000000 0.000000 0.374945 Zn\n0.000000 0.000000 0.001670 Zn\n0.666667 0.333333 0.707641 Zn\n0.333333 0.666667 0.290638 Zn\n0.000000 0.000000 0.624894 Zn\n0.689340 0.844670 0.091541 O\n0.000000 0.000000 0.241329 O\n0.155330 0.310660 0.091541 O\n0.155330 0.844670 0.091541 O\n0.514373 0.485627 0.246285 O\n0.363404 0.181702 0.419307 O\n0.514373 0.028745 0.246285 O\n0.666667 0.333333 0.089009 O\n0.818298 0.636596 0.419307 O\n0.666667 0.333333 0.571811 O\n0.971255 0.485627 0.246285 O\n0.818298 0.181702 0.419307 O\n0.180733 0.819267 0.580321 O\n0.028465 0.514232 0.752412 O\n0.180733 0.361465 0.580321 O\n0.333333 0.666667 0.427752 O\n0.333333 0.666667 0.905757 O\n0.485768 0.971535 0.752412 O\n0.638535 0.819267 0.580321 O\n0.485768 0.514232 0.752412 O\n0.840537 0.159463 0.910129 O\n0.000000 0.000000 0.761924 O\n0.840537 0.681073 0.910129 O\n0.318927 0.159463 0.910129 O\n",
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"formula_full": "V12 Zn6 O24",
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},
{
"id": "mp-774877",
"created_at": "2022-09-04T14:45:09.408433Z",
"structure_string": "Li4 Ti2 Fe3 Sn3 O16\n1.0\n6.145608 0.015460 0.027864\n-3.059303 5.300263 0.000633\n0.044863 0.026992 9.715381\nLi Ti Fe Sn O\n4 2 3 3 16\ndirect\n0.342214 0.671071 0.891570 Li\n0.980902 0.990765 0.988352 Li\n0.985138 0.992367 0.499715 Li\n0.665117 0.332930 0.398704 Li\n0.351359 0.674971 0.501031 Ti\n0.699112 0.349615 0.982845 Ti\n0.655889 0.829383 0.218148 Fe\n0.831317 0.654154 0.715428 Fe\n0.831419 0.177190 0.715525 Fe\n0.169580 0.830309 0.213502 Sn\n0.170238 0.339664 0.213864 Sn\n0.342567 0.171005 0.713199 Sn\n0.171377 0.830927 0.593239 O\n0.029299 0.515407 0.341480 O\n0.340848 0.669992 0.097697 O\n0.989537 0.994859 0.312537 O\n0.994891 0.997219 0.801956 O\n0.171074 0.340248 0.593376 O\n0.476873 0.955529 0.346151 O\n0.475698 0.520065 0.346943 O\n0.324078 0.161554 0.094670 O\n0.650301 0.824961 0.592487 O\n0.525827 0.480510 0.847323 O\n0.526204 0.045338 0.847492 O\n0.672637 0.336328 0.601975 O\n0.832133 0.661535 0.092836 O\n0.961850 0.480839 0.852890 O\n0.832521 0.171563 0.092903 O\n",
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"elements": [
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"density": 4.732283347335176,
"density_atomic": 0.08835235967928995,
"volume": 316.9128713894812,
"volume_molar": 6.816049714868689,
"formula_full": "Li4 Ti2 Fe3 Sn3 O16",
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"spacegroup": 8
},
{
"id": "mp-1177973",
"created_at": "2022-09-04T14:42:02.671447Z",
"structure_string": "Li8 Fe12 W4 O32\n1.0\n8.613480 -0.021068 0.009875\n-0.021014 8.560388 -0.024892\n0.009718 -0.024505 8.596153\nLi Fe W O\n8 12 4 32\ndirect\n0.998593 0.998763 0.996461 Li\n0.248376 0.255963 0.252296 Li\n0.248649 0.745267 0.756221 Li\n0.503296 0.003897 0.498458 Li\n0.498344 0.503551 0.003734 Li\n0.752116 0.245838 0.749778 Li\n0.747399 0.751174 0.248253 Li\n0.003582 0.495738 0.498274 Li\n0.120033 0.135999 0.626059 Fe\n0.126746 0.380894 0.873299 Fe\n0.125262 0.623607 0.121905 Fe\n0.368151 0.373506 0.613639 Fe\n0.375763 0.613737 0.366724 Fe\n0.380639 0.863420 0.120743 Fe\n0.624492 0.372505 0.376741 Fe\n0.624588 0.118356 0.132666 Fe\n0.629096 0.875283 0.879680 Fe\n0.859307 0.130008 0.381462 Fe\n0.873736 0.882586 0.632976 Fe\n0.885488 0.631640 0.877445 Fe\n0.123834 0.875387 0.372314 W\n0.374805 0.130336 0.879405 W\n0.628647 0.620696 0.623979 W\n0.874336 0.375884 0.123974 W\n0.122346 0.101930 0.383665 O\n0.115123 0.878650 0.601551 O\n0.123139 0.613390 0.901172 O\n0.146232 0.126198 0.861779 O\n0.107323 0.391223 0.119866 O\n0.140167 0.364944 0.633020 O\n0.133981 0.644842 0.363666 O\n0.132012 0.862774 0.144237 O\n0.362225 0.132435 0.644294 O\n0.383111 0.352306 0.866348 O\n0.355608 0.635297 0.136858 O\n0.394720 0.616453 0.612825 O\n0.353246 0.867985 0.365149 O\n0.384805 0.385818 0.387748 O\n0.366981 0.114149 0.101954 O\n0.383541 0.894383 0.882434 O\n0.617494 0.396062 0.624489 O\n0.610899 0.624217 0.395032 O\n0.608244 0.880594 0.109307 O\n0.648876 0.372332 0.132214 O\n0.600856 0.112152 0.870458 O\n0.639926 0.134298 0.371462 O\n0.633908 0.854919 0.631920 O\n0.621329 0.637179 0.849756 O\n0.871423 0.365786 0.357288 O\n0.884000 0.148633 0.139027 O\n0.858611 0.871006 0.860110 O\n0.896394 0.882611 0.380936 O\n0.852454 0.636331 0.618113 O\n0.890192 0.113112 0.613224 O\n0.872105 0.379345 0.900821 O\n0.893449 0.604752 0.132928 O\n",
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"formula_full": "Li8 Fe12 W4 O32",
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{
"id": "mp-1244564",
"created_at": "2022-09-04T14:45:16.892973Z",
"structure_string": "Cu13 Si2 Sb2 O28\n1.0\n5.289273 -0.223568 1.081358\n1.270874 7.871456 0.335718\n-0.593670 -0.000144 12.028723\nCu Si Sb O\n13 2 2 28\ndirect\n0.972898 0.610709 0.671067 Cu\n0.667173 0.370015 0.142507 Cu\n0.384950 0.367371 0.682223 Cu\n0.027913 0.387733 0.329298 Cu\n0.334321 0.628348 0.857840 Cu\n0.271126 0.004033 0.439108 Cu\n0.123491 0.648047 0.153097 Cu\n0.000507 0.999188 0.000161 Cu\n0.391606 0.996420 0.169102 Cu\n0.877321 0.350284 0.847243 Cu\n0.615819 0.631054 0.318167 Cu\n0.609413 0.001917 0.831192 Cu\n0.729672 0.994469 0.561189 Cu\n0.205050 0.315945 0.015205 Si\n0.796098 0.682382 0.985110 Si\n0.823174 0.012045 0.305803 Sb\n0.177767 0.986314 0.694503 Sb\n0.695628 0.402268 0.294989 O\n0.270464 0.428491 0.420775 O\n0.896163 0.318927 0.002780 O\n0.282043 0.109612 0.031977 O\n0.730306 0.569992 0.579613 O\n0.305124 0.596173 0.705389 O\n0.032865 0.118542 0.568118 O\n0.967948 0.879897 0.432220 O\n0.718993 0.888737 0.968352 O\n0.076497 0.885812 0.176504 O\n0.236213 0.411262 0.130748 O\n0.977292 0.617515 0.300106 O\n0.420115 0.876853 0.564410 O\n0.669780 0.129057 0.176221 O\n0.643097 0.614234 0.101956 O\n0.104948 0.679422 0.997535 O\n0.331294 0.869355 0.824069 O\n0.924418 0.112513 0.823813 O\n0.580717 0.121610 0.435854 O\n0.104552 0.151641 0.319546 O\n0.896281 0.846791 0.680774 O\n0.358163 0.384047 0.898386 O\n0.473679 0.127694 0.697721 O\n0.677755 0.413728 0.583874 O\n0.764702 0.587116 0.869600 O\n0.527159 0.870749 0.302585 O\n0.023526 0.380896 0.700246 O\n0.323006 0.584714 0.416526 O\n",
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{
"id": "mp-4819",
"created_at": "2022-09-04T14:40:15.099994Z",
"structure_string": "Mg4 Ge4 O12\n1.0\n4.531948 4.864534 0.000000\n-4.531948 4.864534 0.000000\n0.000000 1.010621 5.133915\nMg Ge O\n4 4 12\ndirect\n0.093534 0.906466 0.250000 Mg\n0.906466 0.093534 0.750000 Mg\n0.729764 0.270236 0.250000 Mg\n0.270236 0.729764 0.750000 Mg\n0.605583 0.795152 0.211420 Ge\n0.204848 0.394417 0.288580 Ge\n0.394417 0.204848 0.788580 Ge\n0.795152 0.605583 0.711420 Ge\n0.709490 0.570058 0.403576 O\n0.429942 0.290510 0.096424 O\n0.290510 0.429942 0.596424 O\n0.570058 0.709490 0.903576 O\n0.859299 0.374230 0.882032 O\n0.625770 0.140701 0.617968 O\n0.140701 0.625770 0.117968 O\n0.374230 0.859299 0.382032 O\n0.794136 0.975367 0.131912 O\n0.024633 0.205864 0.368088 O\n0.205864 0.024633 0.868088 O\n0.975367 0.794136 0.631912 O\n",
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{
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"structure_string": "Sm4 Ni4 O12\n1.0\n5.346754 0.000000 0.000000\n0.000000 5.547902 0.000000\n0.000000 0.000000 7.631066\nSm Ni O\n4 4 12\ndirect\n0.014851 0.939016 0.750000 Sm\n0.514851 0.560984 0.250000 Sm\n0.485149 0.439016 0.750000 Sm\n0.985149 0.060984 0.250000 Sm\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.705468 0.295890 0.453664 O\n0.205468 0.204110 0.546336 O\n0.794532 0.795890 0.046336 O\n0.294532 0.704110 0.953664 O\n0.294532 0.704110 0.546336 O\n0.794532 0.795890 0.453664 O\n0.205468 0.204110 0.953664 O\n0.705468 0.295890 0.046336 O\n0.087720 0.479346 0.250000 O\n0.587720 0.020654 0.750000 O\n0.412280 0.979346 0.250000 O\n0.912280 0.520654 0.750000 O\n",
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{
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