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{
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{
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"structure_string": "Er2 In3 Cu1\n1.0\n2.359957 -4.087566 0.000000\n2.359957 4.087566 0.000000\n0.000000 0.000000 7.394236\nEr In Cu\n2 3 1\ndirect\n0.333333 0.666667 0.723985 Er\n0.333333 0.666667 0.263954 Er\n0.666667 0.333333 0.482419 In\n0.666667 0.333333 0.052214 In\n0.000000 0.000000 0.935305 In\n0.000000 0.000000 0.542123 Cu\n",
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{
"id": "mp-1022314",
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"structure_string": "Mg12 Fe2 Sn2\n1.0\n4.924380 0.000000 0.000000\n0.000000 6.343512 0.000000\n0.000000 0.000000 10.727105\nMg Fe Sn\n12 2 2\ndirect\n0.000000 0.244202 0.084238 Mg\n0.000000 0.755798 0.084238 Mg\n0.000000 0.500000 0.836896 Mg\n0.500000 0.238448 0.910161 Mg\n0.500000 0.761552 0.910161 Mg\n0.500000 0.500000 0.666412 Mg\n0.000000 0.744202 0.584238 Mg\n0.000000 0.255798 0.584238 Mg\n0.000000 0.000000 0.336896 Mg\n0.500000 0.738448 0.410161 Mg\n0.500000 0.261552 0.410161 Mg\n0.500000 0.000000 0.166412 Mg\n0.000000 0.500000 0.339216 Fe\n0.000000 0.000000 0.839216 Fe\n0.500000 0.500000 0.168677 Sn\n0.500000 0.000000 0.668677 Sn\n",
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{
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{
"id": "mp-675555",
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"structure_string": "Na3 Nd5 Cl18\n1.0\n3.802068 -6.585375 0.000000\n3.802068 6.585375 0.000000\n0.000000 0.000000 12.828648\nNa Nd Cl\n3 5 18\ndirect\n0.000000 0.000000 0.500000 Na\n0.666667 0.333333 0.356171 Na\n0.666667 0.333333 0.643829 Na\n0.000000 0.000000 0.834607 Nd\n0.000000 0.000000 0.165393 Nd\n0.333333 0.666667 0.000000 Nd\n0.333333 0.666667 0.333532 Nd\n0.333333 0.666667 0.666468 Nd\n0.971854 0.245426 0.000000 Cl\n0.979173 0.254265 0.325535 Cl\n0.979173 0.254265 0.674465 Cl\n0.754574 0.726428 0.000000 Cl\n0.745735 0.724908 0.325535 Cl\n0.745735 0.724908 0.674465 Cl\n0.058219 0.637139 0.835921 Cl\n0.058219 0.637139 0.164079 Cl\n0.049245 0.615337 0.500000 Cl\n0.273572 0.028146 0.000000 Cl\n0.275092 0.020827 0.325535 Cl\n0.275092 0.020827 0.674465 Cl\n0.578920 0.941781 0.835921 Cl\n0.578920 0.941781 0.164079 Cl\n0.566092 0.950755 0.500000 Cl\n0.362861 0.421080 0.835921 Cl\n0.362861 0.421080 0.164079 Cl\n0.384663 0.433908 0.500000 Cl\n",
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{
"id": "mp-16569",
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"structure_string": "Al102 Re24 Si12\n1.0\n12.927174 0.000000 0.000000\n0.000000 12.927174 0.000000\n0.000000 0.000000 12.927174\nAl Re Si\n102 24 12\ndirect\n0.165595 0.100575 0.000000 Al\n0.000000 0.165595 0.100575 Al\n0.100575 0.000000 0.165595 Al\n0.899425 0.000000 0.165595 Al\n0.000000 0.834405 0.899425 Al\n0.899425 0.000000 0.834405 Al\n0.000000 0.834405 0.100575 Al\n0.000000 0.165595 0.899425 Al\n0.100575 0.000000 0.834405 Al\n0.165595 0.899425 0.000000 Al\n0.834405 0.100575 0.000000 Al\n0.834405 0.899425 0.000000 Al\n0.332149 0.399258 0.500000 Al\n0.500000 0.332149 0.399258 Al\n0.399258 0.500000 0.332149 Al\n0.600742 0.500000 0.332149 Al\n0.500000 0.667851 0.600742 Al\n0.600742 0.500000 0.667851 Al\n0.500000 0.667851 0.399258 Al\n0.500000 0.332149 0.600742 Al\n0.399258 0.500000 0.667851 Al\n0.332149 0.600742 0.500000 Al\n0.667851 0.399258 0.500000 Al\n0.667851 0.600742 0.500000 Al\n0.364234 0.000000 0.000000 Al\n0.000000 0.364234 0.000000 Al\n0.000000 0.000000 0.364234 Al\n0.000000 0.635766 0.000000 Al\n0.000000 0.000000 0.635766 Al\n0.635766 0.000000 0.000000 Al\n0.111228 0.500000 0.500000 Al\n0.500000 0.111228 0.500000 Al\n0.500000 0.500000 0.111228 Al\n0.500000 0.888772 0.500000 Al\n0.500000 0.500000 0.888772 Al\n0.888772 0.500000 0.500000 Al\n0.120272 0.186921 0.303993 Al\n0.303993 0.120272 0.186921 Al\n0.186921 0.303993 0.120272 Al\n0.813079 0.696007 0.120272 Al\n0.303993 0.879728 0.813079 Al\n0.813079 0.303993 0.879728 Al\n0.696007 0.879728 0.186921 Al\n0.696007 0.120272 0.813079 Al\n0.186921 0.696007 0.879728 Al\n0.120272 0.813079 0.696007 Al\n0.879728 0.186921 0.696007 Al\n0.879728 0.813079 0.303993 Al\n0.879728 0.813079 0.696007 Al\n0.696007 0.879728 0.813079 Al\n0.813079 0.696007 0.879728 Al\n0.186921 0.303993 0.879728 Al\n0.696007 0.120272 0.186921 Al\n0.186921 0.696007 0.120272 Al\n0.303993 0.120272 0.813079 Al\n0.303993 0.879728 0.186921 Al\n0.813079 0.303993 0.120272 Al\n0.879728 0.186921 0.303993 Al\n0.120272 0.813079 0.303993 Al\n0.120272 0.186921 0.696007 Al\n0.391523 0.314874 0.193176 Al\n0.193176 0.391523 0.314874 Al\n0.314874 0.193176 0.391523 Al\n0.685126 0.806824 0.391523 Al\n0.193176 0.608477 0.685126 Al\n0.685126 0.193176 0.608477 Al\n0.806824 0.608477 0.314874 Al\n0.806824 0.391523 0.685126 Al\n0.314874 0.806824 0.608477 Al\n0.391523 0.685126 0.806824 Al\n0.608477 0.314874 0.806824 Al\n0.608477 0.685126 0.193176 Al\n0.608477 0.685126 0.806824 Al\n0.806824 0.608477 0.685126 Al\n0.685126 0.806824 0.608477 Al\n0.314874 0.193176 0.608477 Al\n0.806824 0.391523 0.314874 Al\n0.314874 0.806824 0.391523 Al\n0.193176 0.391523 0.685126 Al\n0.193176 0.608477 0.314874 Al\n0.685126 0.193176 0.391523 Al\n0.608477 0.314874 0.193176 Al\n0.391523 0.685126 0.193176 Al\n0.391523 0.314874 0.806824 Al\n0.871060 0.896267 0.500000 Al\n0.871060 0.103733 0.500000 Al\n0.128940 0.896267 0.500000 Al\n0.103733 0.500000 0.871060 Al\n0.500000 0.128940 0.896267 Al\n0.500000 0.871060 0.103733 Al\n0.896267 0.500000 0.871060 Al\n0.500000 0.871060 0.896267 Al\n0.896267 0.500000 0.128940 Al\n0.103733 0.500000 0.128940 Al\n0.500000 0.128940 0.103733 Al\n0.128940 0.103733 0.500000 Al\n0.686647 0.000000 0.500000 Al\n0.000000 0.500000 0.686647 Al\n0.500000 0.686647 0.000000 Al\n0.000000 0.500000 0.313353 Al\n0.500000 0.313353 0.000000 Al\n0.313353 0.000000 0.500000 Al\n0.165552 0.298909 0.500000 Re\n0.500000 0.165552 0.298909 Re\n0.298909 0.500000 0.165552 Re\n0.701091 0.500000 0.165552 Re\n0.500000 0.834448 0.701091 Re\n0.701091 0.500000 0.834448 Re\n0.500000 0.834448 0.298909 Re\n0.834448 0.701091 0.500000 Re\n0.834448 0.298909 0.500000 Re\n0.165552 0.701091 0.500000 Re\n0.298909 0.500000 0.834448 Re\n0.500000 0.165552 0.701091 Re\n0.672574 0.791134 0.000000 Re\n0.672574 0.208866 0.000000 Re\n0.327426 0.791134 0.000000 Re\n0.208866 0.000000 0.672574 Re\n0.000000 0.327426 0.791134 Re\n0.000000 0.672574 0.208866 Re\n0.791134 0.000000 0.672574 Re\n0.000000 0.672574 0.791134 Re\n0.791134 0.000000 0.327426 Re\n0.208866 0.000000 0.327426 Re\n0.000000 0.327426 0.208866 Re\n0.327426 0.208866 0.000000 Re\n0.000000 0.679223 0.403331 Si\n0.679223 0.596669 0.000000 Si\n0.679223 0.403331 0.000000 Si\n0.320777 0.596669 0.000000 Si\n0.403331 0.000000 0.679223 Si\n0.000000 0.320777 0.596669 Si\n0.596669 0.000000 0.679223 Si\n0.000000 0.679223 0.596669 Si\n0.596669 0.000000 0.320777 Si\n0.403331 0.000000 0.320777 Si\n0.000000 0.320777 0.403331 Si\n0.320777 0.403331 0.000000 Si\n",
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{
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{
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"structure_string": "Li4 Mn12 O24\n1.0\n5.851290 0.000000 0.000000\n-2.816384 5.967494 0.000000\n-0.193585 -2.577814 12.920772\nLi Mn O\n4 12 24\ndirect\n0.586629 0.677167 0.821849 Li\n0.579785 0.178951 0.321127 Li\n0.240721 0.488428 0.008127 Li\n0.749747 0.991857 0.512503 Li\n0.008757 0.518645 0.507809 Mn\n0.167934 0.337124 0.670258 Mn\n0.993571 0.995261 0.998884 Mn\n0.169739 0.833888 0.166206 Mn\n0.668068 0.337052 0.669525 Mn\n0.829782 0.165648 0.830915 Mn\n0.669592 0.834664 0.166603 Mn\n0.836548 0.667419 0.332835 Mn\n0.320441 0.140482 0.825036 Mn\n0.322422 0.637381 0.324975 Mn\n0.495585 0.496787 0.503153 Mn\n0.508751 0.026556 0.006096 Mn\n0.517342 0.543864 0.668745 O\n0.655436 0.294257 0.515749 O\n0.522952 0.046894 0.171094 O\n0.020097 0.549252 0.657661 O\n0.639741 0.798759 0.015485 O\n0.122987 0.287137 0.521976 O\n0.190622 0.368835 0.821683 O\n0.019489 0.041782 0.151973 O\n0.317242 0.126815 0.673914 O\n0.153638 0.795622 0.016525 O\n0.194773 0.864759 0.316102 O\n0.712361 0.391687 0.815403 O\n0.317871 0.621808 0.161231 O\n0.815418 0.123547 0.676543 O\n0.870914 0.223405 0.982453 O\n0.687490 0.874800 0.316489 O\n0.934000 0.931597 0.850569 O\n0.819160 0.626187 0.179750 O\n0.859006 0.725821 0.483344 O\n0.334768 0.208278 0.982357 O\n0.961169 0.448072 0.355048 O\n0.491469 0.954075 0.835724 O\n0.361188 0.708309 0.494363 O\n0.492736 0.448506 0.338675 O\n",
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"elements": [
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],
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},
{
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"volume": 86.15997313441227,
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"formula_reduced": "DyInAg2",
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"updated_at": "2021-11-28T01:35:04.134000Z",
"spacegroup": 225
},
{
"id": "mp-1246112",
"created_at": "2022-09-04T14:40:39.781159Z",
"structure_string": "Li2 V1 N2\n1.0\n3.005835 -0.000175 0.000158\n-1.503069 2.603356 -0.000050\n0.000254 0.000042 5.511240\nLi V N\n2 1 2\ndirect\n0.666683 0.333340 0.361297 Li\n0.333317 0.666660 0.638703 Li\n0.000000 0.000000 0.000000 V\n0.666697 0.333360 0.792455 N\n0.333303 0.666640 0.207545 N\n",
"nsites": 5,
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"elements": [
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],
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"density": 3.5746728833751913,
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"formula_full": "Li2 V1 N2",
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{
"id": "mp-1206642",
"created_at": "2022-09-04T14:40:39.827779Z",
"structure_string": "Li1 W1 N2\n1.0\n5.470537 -1.480446 0.000000\n5.470537 1.480446 0.000000\n5.069896 0.000000 2.532716\nLi W N\n1 1 2\ndirect\n0.829095 0.829095 0.829095 Li\n0.003314 0.003314 0.003314 W\n0.596076 0.596076 0.596076 N\n0.411516 0.411516 0.411516 N\n",
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"N"
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"formula_full": "Li1 W1 N2",
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"updated_at": "2021-11-28T01:35:06.705000Z",
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}
]
}