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{
"id": "mp-1211755",
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"structure_string": "K2 Al4 Si8 O22\n1.0\n4.633696 2.638480 0.000000\n-4.633696 2.638480 0.000000\n0.000000 2.045236 20.656819\nK Al Si O\n2 4 8 22\ndirect\n0.900191 0.099809 0.250000 K\n0.099809 0.900191 0.750000 K\n0.631147 0.816609 0.000017 Al\n0.368853 0.183391 0.999983 Al\n0.183391 0.368853 0.499983 Al\n0.816609 0.631147 0.500017 Al\n0.533810 0.399545 0.366008 Si\n0.466190 0.600455 0.633992 Si\n0.600455 0.466190 0.133992 Si\n0.399545 0.533810 0.866008 Si\n0.298117 0.813051 0.134166 Si\n0.701883 0.186949 0.865834 Si\n0.186949 0.701883 0.365834 Si\n0.813051 0.298117 0.634166 Si\n0.395171 0.124160 0.168078 O\n0.604829 0.875840 0.831922 O\n0.875840 0.604829 0.331922 O\n0.124160 0.395171 0.668078 O\n0.474886 0.662960 0.167730 O\n0.525114 0.337040 0.832270 O\n0.337040 0.525114 0.332270 O\n0.662960 0.474886 0.667730 O\n0.417319 0.057452 0.349033 O\n0.582681 0.942548 0.650967 O\n0.942548 0.582681 0.150967 O\n0.057452 0.417319 0.849033 O\n0.529200 0.452272 0.443353 O\n0.470800 0.547728 0.556647 O\n0.547728 0.470800 0.056647 O\n0.452272 0.529200 0.943353 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.407259 0.899312 0.056471 O\n0.592741 0.100688 0.943529 O\n0.100688 0.592741 0.443529 O\n0.899312 0.407259 0.556471 O\n",
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{
"id": "mp-1197365",
"created_at": "2022-09-04T14:48:03.554571Z",
"structure_string": "Fe14 Si8 O32\n1.0\n4.900319 0.000000 0.000000\n0.000000 10.404673 0.000000\n0.000000 0.184744 12.042214\nFe Si O\n14 8 32\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.002603 0.006434 0.233744 Fe\n0.997397 0.993566 0.766256 Fe\n0.502603 0.493566 0.766256 Fe\n0.497397 0.506434 0.233744 Fe\n0.514264 0.778942 0.372391 Fe\n0.485736 0.221058 0.627609 Fe\n0.014264 0.721058 0.627609 Fe\n0.985736 0.278942 0.372391 Fe\n0.005229 0.729036 0.118833 Fe\n0.994771 0.270964 0.881167 Fe\n0.505229 0.770964 0.881167 Fe\n0.494771 0.229036 0.118833 Fe\n0.071293 0.597080 0.370127 Si\n0.928707 0.402920 0.629873 Si\n0.571293 0.902920 0.629873 Si\n0.428707 0.097080 0.370127 Si\n0.564499 0.904820 0.119166 Si\n0.435501 0.095180 0.880834 Si\n0.064499 0.595180 0.880834 Si\n0.935501 0.404820 0.119166 Si\n0.736571 0.593917 0.370742 O\n0.263429 0.406083 0.629258 O\n0.236571 0.906083 0.629258 O\n0.763429 0.093917 0.370742 O\n0.265372 0.393316 0.127749 O\n0.734628 0.606684 0.872251 O\n0.765372 0.106684 0.872251 O\n0.234628 0.893316 0.127749 O\n0.672676 0.054482 0.125478 O\n0.327324 0.945518 0.874522 O\n0.172676 0.445518 0.874522 O\n0.827324 0.554482 0.125478 O\n0.287433 0.952078 0.370450 O\n0.712567 0.047922 0.629550 O\n0.787433 0.547922 0.629550 O\n0.212567 0.452078 0.370450 O\n0.796232 0.322325 0.017412 O\n0.203768 0.677675 0.982588 O\n0.296232 0.177675 0.982588 O\n0.703768 0.822325 0.017412 O\n0.211789 0.667103 0.478536 O\n0.788211 0.332897 0.521464 O\n0.711789 0.832897 0.521464 O\n0.288211 0.167103 0.478536 O\n0.731491 0.832184 0.224743 O\n0.268509 0.167816 0.775257 O\n0.231491 0.667816 0.775257 O\n0.768509 0.332184 0.224743 O\n0.289816 0.169688 0.259526 O\n0.710184 0.830312 0.740474 O\n0.789816 0.330312 0.740474 O\n0.210184 0.669688 0.259526 O\n",
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"elements": [
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],
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"formula_full": "Fe14 Si8 O32",
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"spacegroup": 14
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{
"id": "mp-1207886",
"created_at": "2022-09-04T14:48:03.557518Z",
"structure_string": "V4 N1 O10\n1.0\n0.000000 -3.674637 0.000000\n-5.801811 1.837319 1.091998\n-0.247386 0.000000 -10.302329\nV N O\n4 1 10\ndirect\n0.703178 0.406356 0.842607 V\n0.296822 0.593644 0.157393 V\n0.410263 0.820526 0.843936 V\n0.589737 0.179474 0.156064 V\n0.000000 0.000000 0.500000 N\n0.565259 0.130519 0.904201 O\n0.434741 0.869481 0.095799 O\n0.670082 0.340164 0.685938 O\n0.329918 0.659836 0.314062 O\n0.400257 0.800515 0.686970 O\n0.599742 0.199485 0.313030 O\n0.876499 0.752997 0.873544 O\n0.123501 0.247003 0.126456 O\n0.243641 0.487281 0.885518 O\n0.756359 0.512719 0.114482 O\n",
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],
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"density": 2.8431575643186826,
"density_atomic": 0.0679859886846941,
"volume": 220.6336965925009,
"volume_molar": 8.857914515194485,
"formula_full": "V4 N1 O10",
"formula_reduced": "V4NO10",
"formula_anonymous": "AB4C10",
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"updated_at": "2021-11-28T01:38:26.558000Z",
"spacegroup": 12
},
{
"id": "mp-755201",
"created_at": "2022-09-04T14:48:03.565792Z",
"structure_string": "Li3 Fe1 Cu2 O6\n1.0\n1.476241 6.443341 0.000000\n-1.476241 6.443341 0.000000\n0.000000 1.392403 5.752207\nLi Fe Cu O\n3 1 2 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.171237 0.171237 0.163954 Li\n0.828763 0.828763 0.836046 Li\n0.500000 0.500000 0.000000 Fe\n0.167694 0.167694 0.666649 Cu\n0.832306 0.832306 0.333351 Cu\n0.664978 0.664978 0.904570 O\n0.328380 0.328380 0.570104 O\n0.335022 0.335022 0.095430 O\n0.996777 0.996777 0.238495 O\n0.003223 0.003223 0.761505 O\n0.671620 0.671620 0.429896 O\n",
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"volume": 109.42911348682895,
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"formula_full": "Li3 Fe1 Cu2 O6",
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"energy": -70.87544911,
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{
"id": "mp-31513",
"created_at": "2022-09-04T14:48:03.568053Z",
"structure_string": "Nb4 Co8 O18\n1.0\n5.225752 0.000547 0.001598\n2.613299 4.525251 0.001014\n0.004173 0.000843 14.298559\nNb Co O\n4 8 18\ndirect\n0.999475 0.000812 0.641775 Nb\n0.000052 0.999922 0.858419 Nb\n0.000354 0.999110 0.358604 Nb\n0.999751 0.000144 0.141390 Nb\n0.333331 0.333440 0.015198 Co\n0.333110 0.333666 0.513907 Co\n0.666640 0.666741 0.985426 Co\n0.332997 0.333460 0.305208 Co\n0.666130 0.668577 0.487920 Co\n0.666673 0.666966 0.694043 Co\n0.333268 0.333419 0.806142 Co\n0.666356 0.666699 0.194813 Co\n0.709833 0.289797 0.249927 O\n0.999974 0.710065 0.249617 O\n0.289514 0.000133 0.249858 O\n0.289764 0.709887 0.749789 O\n0.000122 0.289891 0.749816 O\n0.709984 0.000425 0.749902 O\n0.343881 0.978435 0.584075 O\n0.678085 0.343323 0.583411 O\n0.978449 0.678208 0.584014 O\n0.321756 0.021931 0.915972 O\n0.021976 0.656242 0.916023 O\n0.656285 0.321810 0.916006 O\n0.657670 0.018832 0.416149 O\n0.322886 0.656107 0.415809 O\n0.021729 0.321538 0.416063 O\n0.678150 0.978576 0.083561 O\n0.978309 0.343508 0.083569 O\n0.343499 0.678339 0.083594 O\n",
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{
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"created_at": "2022-09-04T14:48:03.570050Z",
"structure_string": "Nd2 Lu6 S12\n1.0\n3.934366 0.000000 0.000000\n0.000000 10.984813 0.000000\n0.000000 3.650547 10.570400\nNd Lu S\n2 6 12\ndirect\n0.750000 0.550368 0.804522 Nd\n0.250000 0.449632 0.195478 Nd\n0.750000 0.179535 0.999862 Lu\n0.250000 0.820465 0.000138 Lu\n0.750000 0.943234 0.665990 Lu\n0.250000 0.056766 0.334010 Lu\n0.750000 0.660754 0.413186 Lu\n0.250000 0.339246 0.586814 Lu\n0.750000 0.978240 0.888135 S\n0.250000 0.021760 0.111865 S\n0.750000 0.302626 0.748775 S\n0.250000 0.697374 0.251225 S\n0.750000 0.892579 0.442357 S\n0.250000 0.107421 0.557643 S\n0.750000 0.419367 0.406698 S\n0.250000 0.580633 0.593302 S\n0.750000 0.231271 0.230036 S\n0.250000 0.768729 0.769964 S\n0.750000 0.620022 0.036198 S\n0.250000 0.379978 0.963802 S\n",
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{
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{
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{
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{
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"formula_full": "Ni8 P4 O20",
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}