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{
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{
"id": "mp-1036439",
"created_at": "2022-09-04T14:43:15.071474Z",
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{
"id": "mp-505089",
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"structure_string": "Li16 Tb4 F32\n1.0\n5.832096 0.000000 0.000000\n0.000000 9.912033 0.000000\n0.000000 0.000000 10.074722\nLi Tb F\n16 4 32\ndirect\n0.883329 0.939059 0.368446 Li\n0.383329 0.060941 0.131554 Li\n0.616671 0.560941 0.868446 Li\n0.116671 0.439059 0.631554 Li\n0.116671 0.060941 0.631554 Li\n0.616671 0.939059 0.868446 Li\n0.383329 0.439059 0.131554 Li\n0.883329 0.560941 0.368446 Li\n0.371777 0.921447 0.398052 Li\n0.871777 0.078553 0.101948 Li\n0.128223 0.578553 0.898052 Li\n0.628223 0.421447 0.601948 Li\n0.628223 0.078553 0.601948 Li\n0.128223 0.921447 0.898052 Li\n0.871777 0.421447 0.101948 Li\n0.371777 0.578553 0.398052 Li\n0.634182 0.750000 0.135292 Tb\n0.134182 0.250000 0.364708 Tb\n0.865818 0.750000 0.635292 Tb\n0.365818 0.250000 0.864708 Tb\n0.859545 0.889195 0.012529 F\n0.359545 0.110805 0.487471 F\n0.640455 0.610805 0.512529 F\n0.140455 0.389195 0.987471 F\n0.140455 0.110805 0.987471 F\n0.640455 0.889195 0.512529 F\n0.359545 0.389195 0.487471 F\n0.859545 0.610805 0.012529 F\n0.388213 0.884719 0.018541 F\n0.888213 0.115281 0.481459 F\n0.111787 0.615281 0.518541 F\n0.611787 0.384719 0.981459 F\n0.611787 0.115281 0.981459 F\n0.111787 0.884719 0.518541 F\n0.888213 0.384719 0.481459 F\n0.388213 0.615281 0.018541 F\n0.633682 0.531418 0.233382 F\n0.133682 0.468582 0.266618 F\n0.866318 0.968582 0.733382 F\n0.366318 0.031418 0.766618 F\n0.366318 0.468582 0.766618 F\n0.866318 0.531418 0.733382 F\n0.133682 0.031418 0.266618 F\n0.633682 0.968582 0.233382 F\n0.889533 0.750000 0.301349 F\n0.389533 0.250000 0.198651 F\n0.610467 0.750000 0.801349 F\n0.110467 0.250000 0.698651 F\n0.375676 0.750000 0.301270 F\n0.875676 0.250000 0.198730 F\n0.124324 0.750000 0.801270 F\n0.624324 0.250000 0.698730 F\n",
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"formula_full": "Li16 Tb4 F32",
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{
"id": "mp-1211925",
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"structure_string": "K8 P8 O30\n1.0\n3.509123 9.167226 0.000000\n-3.509123 9.167226 0.000000\n0.000000 7.327898 12.556542\nK P O\n8 8 30\ndirect\n0.688257 0.270266 0.909259 K\n0.311743 0.729734 0.090741 K\n0.729734 0.311743 0.590741 K\n0.270267 0.688257 0.409259 K\n0.693592 0.851341 0.875738 K\n0.306408 0.148659 0.124262 K\n0.148659 0.306408 0.624262 K\n0.851341 0.693592 0.375738 K\n0.767428 0.891552 0.594964 P\n0.232572 0.108448 0.405036 P\n0.108448 0.232572 0.905036 P\n0.891552 0.767428 0.094964 P\n0.551968 0.729166 0.721510 P\n0.448032 0.270834 0.278490 P\n0.270834 0.448032 0.778490 P\n0.729166 0.551968 0.221510 P\n0.858247 0.922418 0.637798 O\n0.141753 0.077582 0.362202 O\n0.077582 0.141753 0.862202 O\n0.922418 0.858247 0.137798 O\n0.734769 0.921301 0.024306 O\n0.265231 0.078699 0.975694 O\n0.078699 0.265231 0.475694 O\n0.921301 0.734769 0.524306 O\n0.666363 0.806737 0.703410 O\n0.333637 0.193263 0.296590 O\n0.193263 0.333637 0.796590 O\n0.806737 0.666363 0.203410 O\n0.035077 0.964923 0.750000 O\n0.964923 0.035077 0.250000 O\n0.589353 0.117200 0.548022 O\n0.410647 0.882800 0.451978 O\n0.882800 0.410647 0.951978 O\n0.117200 0.589353 0.048022 O\n0.482331 0.281132 0.809766 O\n0.517669 0.718868 0.190234 O\n0.718868 0.517669 0.690234 O\n0.281132 0.482331 0.309766 O\n0.386267 0.897832 0.653172 O\n0.613733 0.102168 0.346828 O\n0.102168 0.613733 0.846828 O\n0.897832 0.386267 0.153172 O\n0.459872 0.709574 0.840350 O\n0.540128 0.290426 0.159650 O\n0.290426 0.540128 0.659650 O\n0.709574 0.459872 0.340350 O\n",
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"formula_full": "K8 P8 O30",
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"energy": -298.44217759000003,
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{
"id": "mp-38194",
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"structure_string": "Y1 O1 F1\n1.0\n0.000000 2.720311 2.720311\n2.720311 0.000000 2.720311\n2.720311 2.720311 0.000000\nY O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 F\n",
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},
{
"id": "mp-1194145",
"created_at": "2022-09-04T14:43:15.090193Z",
"structure_string": "Zr6 Ga16 Pd7\n1.0\n0.000000 6.268236 6.268236\n6.268236 0.000000 6.268236\n6.268236 6.268236 0.000000\nZr Ga Pd\n6 16 7\ndirect\n0.691710 0.691710 0.308290 Zr\n0.308290 0.691710 0.308290 Zr\n0.691710 0.308290 0.308290 Zr\n0.308290 0.308290 0.691710 Zr\n0.691710 0.308290 0.691710 Zr\n0.308290 0.691710 0.691710 Zr\n0.878544 0.878544 0.364369 Ga\n0.878544 0.364369 0.878544 Ga\n0.364369 0.878544 0.878544 Ga\n0.878544 0.878544 0.878544 Ga\n0.121456 0.121456 0.635631 Ga\n0.121456 0.635631 0.121456 Ga\n0.635631 0.121456 0.121456 Ga\n0.121456 0.121456 0.121456 Ga\n0.660203 0.660203 0.019391 Ga\n0.660203 0.019391 0.660203 Ga\n0.019391 0.660203 0.660203 Ga\n0.660203 0.660203 0.660203 Ga\n0.339797 0.339797 0.980609 Ga\n0.339797 0.980609 0.339797 Ga\n0.980609 0.339797 0.339797 Ga\n0.339797 0.339797 0.339797 Ga\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n",
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"formula_full": "Zr6 Ga16 Pd7",
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{
"id": "mp-1219473",
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"structure_string": "Sb4 Te3 Se3\n1.0\n2.104949 10.159741 0.000000\n-2.104949 10.159741 0.000000\n0.000000 0.852016 7.235576\nSb Te Se\n4 3 3\ndirect\n0.909012 0.909012 0.700768 Sb\n0.407667 0.407667 0.192230 Sb\n0.588732 0.588732 0.803198 Sb\n0.089683 0.089683 0.303914 Sb\n0.820860 0.820860 0.390211 Te\n0.177055 0.177055 0.609799 Te\n0.676303 0.676303 0.106480 Te\n0.496734 0.496734 0.502005 Se\n0.999531 0.999531 0.000158 Se\n0.334424 0.334424 0.891237 Se\n",
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{
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"structure_string": "Ce12 Se24\n1.0\n8.453277 -14.641505 0.000000\n8.453277 14.641505 0.000000\n0.000000 0.000000 17.308944\nCe Se\n12 24\ndirect\n0.430394 0.569606 0.104447 Ce\n0.430394 0.860788 0.104447 Ce\n0.139212 0.569606 0.104447 Ce\n0.569606 0.430394 0.895553 Ce\n0.569606 0.139212 0.895553 Ce\n0.860788 0.430394 0.895553 Ce\n0.569606 0.430394 0.604447 Ce\n0.569606 0.139212 0.604447 Ce\n0.860788 0.430394 0.604447 Ce\n0.430394 0.569606 0.395553 Ce\n0.430394 0.860788 0.395553 Ce\n0.139212 0.569606 0.395553 Ce\n0.000000 0.500000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n0.500000 0.000000 0.000000 Se\n0.000000 0.500000 0.500000 Se\n0.500000 0.500000 0.500000 Se\n0.500000 0.000000 0.500000 Se\n0.505174 0.752587 0.085005 Se\n0.247413 0.752587 0.085005 Se\n0.247413 0.494826 0.085005 Se\n0.494826 0.247413 0.914995 Se\n0.752587 0.247413 0.914995 Se\n0.752587 0.505174 0.914995 Se\n0.494826 0.247413 0.585005 Se\n0.752587 0.247413 0.585005 Se\n0.752587 0.505174 0.585005 Se\n0.505174 0.752587 0.414995 Se\n0.247413 0.752587 0.414995 Se\n0.247413 0.494826 0.414995 Se\n0.930801 0.465401 0.750000 Se\n0.534599 0.465401 0.750000 Se\n0.534599 0.069199 0.750000 Se\n0.069199 0.534599 0.250000 Se\n0.465401 0.534599 0.250000 Se\n0.465401 0.930801 0.250000 Se\n",
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"spacegroup": 194
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{
"id": "mp-11958",
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"structure_string": "Ca2 Sn4 Pd2\n1.0\n2.229875 -5.638120 0.000000\n2.229875 5.638120 0.000000\n0.000000 0.000000 7.582147\nCa Sn Pd\n2 4 2\ndirect\n0.930560 0.069440 0.750000 Ca\n0.069440 0.930560 0.250000 Ca\n0.641662 0.358338 0.955263 Sn\n0.358338 0.641662 0.044737 Sn\n0.358338 0.641662 0.455263 Sn\n0.641662 0.358338 0.544737 Sn\n0.204499 0.795501 0.750000 Pd\n0.795501 0.204499 0.250000 Pd\n",
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{
"id": "mp-1176151",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.812409 0.000000 0.000000\n-2.883573 -5.175742 0.000000\n-2.902789 1.142902 -9.543977\nLi Mn Co O\n9 2 5 16\ndirect\n0.495326 0.500462 0.996142 Li\n0.510688 0.255604 0.256413 Li\n0.501178 0.998819 0.503554 Li\n0.488290 0.986606 0.991175 Li\n0.529881 0.780518 0.267044 Li\n0.515660 0.518785 0.510131 Li\n0.470721 0.218238 0.732291 Li\n0.486584 0.738556 0.743279 Li\n0.000868 0.999605 0.501265 Li\n0.003083 0.004681 0.999634 Mn\n0.007998 0.757620 0.252586 Mn\n0.998357 0.497507 0.501867 Co\n0.989008 0.238814 0.740268 Co\n0.001216 0.503347 0.000062 Co\n0.004556 0.250986 0.253588 Co\n0.994712 0.749142 0.747301 Co\n0.242831 0.134496 0.885572 O\n0.233714 0.881989 0.124068 O\n0.246769 0.643514 0.371444 O\n0.208755 0.608853 0.871356 O\n0.204480 0.342967 0.114552 O\n0.212920 0.097155 0.354998 O\n0.216485 0.843802 0.629761 O\n0.232481 0.375086 0.627560 O\n0.766503 0.864188 0.120776 O\n0.771090 0.622010 0.368000 O\n0.743278 0.359760 0.623223 O\n0.802692 0.412868 0.135287 O\n0.782858 0.150447 0.368819 O\n0.772039 0.876579 0.638575 O\n0.797418 0.663571 0.888111 O\n0.767560 0.123426 0.881299 O\n",
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