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{
"id": "mp-1112308",
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{
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"structure_string": "Li4 Co4 B4 O12\n1.0\n5.159324 -0.001743 0.009589\n2.565599 4.476184 -0.009586\n-0.104944 0.181185 10.349712\nLi Co B O\n4 4 4 12\ndirect\n0.155902 0.831307 0.664421 Li\n0.168692 0.844098 0.164421 Li\n0.839431 0.163742 0.913479 Li\n0.836258 0.160569 0.413479 Li\n0.172881 0.496511 0.395134 Co\n0.497798 0.172479 0.144051 Co\n0.503489 0.827121 0.895134 Co\n0.827516 0.502204 0.644050 Co\n0.167142 0.497400 0.872472 B\n0.499125 0.164353 0.622247 B\n0.502600 0.832858 0.372473 B\n0.835646 0.500875 0.122248 B\n0.085315 0.518885 0.155917 O\n0.234432 0.436365 0.594254 O\n0.156088 0.769672 0.858283 O\n0.427258 0.242018 0.908357 O\n0.516777 0.094253 0.343795 O\n0.230330 0.843909 0.358283 O\n0.770670 0.154386 0.609436 O\n0.481113 0.914686 0.655918 O\n0.563638 0.765571 0.094255 O\n0.845607 0.229334 0.109434 O\n0.757983 0.572744 0.408358 O\n0.905748 0.483219 0.843796 O\n",
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},
{
"id": "mp-553990",
"created_at": "2022-09-04T14:47:28.100863Z",
"structure_string": "Ba8 B4 N8 O2\n1.0\n3.692599 -7.953939 0.000000\n3.692599 7.953939 0.000000\n0.000000 0.000000 7.419524\nBa B N O\n8 4 8 2\ndirect\n0.325734 0.674266 0.500000 Ba\n0.693194 0.693194 0.193209 Ba\n0.306806 0.306806 0.806791 Ba\n0.193194 0.193194 0.306791 Ba\n0.825734 0.174266 0.000000 Ba\n0.674266 0.325734 0.500000 Ba\n0.806806 0.806806 0.693209 Ba\n0.174266 0.825734 0.000000 Ba\n0.362674 0.637326 0.000000 B\n0.637326 0.362674 0.000000 B\n0.137326 0.862674 0.500000 B\n0.862674 0.137326 0.500000 B\n0.994904 0.263174 0.628531 N\n0.763174 0.494904 0.871469 N\n0.494904 0.763174 0.871469 N\n0.505096 0.236825 0.128531 N\n0.005096 0.736825 0.371469 N\n0.263174 0.994904 0.628531 N\n0.736826 0.005096 0.371469 N\n0.236826 0.505096 0.128531 N\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Ba8 B4 N8 O2",
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"updated_at": "2021-11-28T01:38:09.202000Z",
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{
"id": "mp-568978",
"created_at": "2022-09-04T14:43:22.069207Z",
"structure_string": "Rb1 Cd1 Ag3 C6 N6\n1.0\n3.642888 -6.309667 0.000000\n3.642888 6.309667 0.000000\n0.000000 0.000000 8.278321\nRb Cd Ag C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n0.509657 0.019313 0.500000 Ag\n0.509657 0.490343 0.500000 Ag\n0.980687 0.490343 0.500000 Ag\n0.659194 0.009707 0.707564 C\n0.659194 0.649488 0.292436 C\n0.350512 0.009707 0.292436 C\n0.990293 0.649488 0.707564 C\n0.350512 0.340806 0.707564 C\n0.990293 0.340806 0.292436 C\n0.741505 0.741961 0.173813 N\n0.741505 0.999544 0.826187 N\n0.258039 0.258495 0.826187 N\n0.258039 0.999544 0.173813 N\n0.000456 0.258495 0.173813 N\n0.000456 0.741961 0.826187 N\n",
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"formula_full": "Rb1 Cd1 Ag3 C6 N6",
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"spacegroup": 149
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{
"id": "mp-1217549",
"created_at": "2022-09-04T14:41:29.839582Z",
"structure_string": "Tb2 In2 Ge4 O14\n1.0\n4.533675 3.477836 0.000000\n-4.533675 3.477836 0.000000\n0.000000 1.988708 9.722081\nTb In Ge O\n2 2 4 14\ndirect\n0.705529 0.296396 0.252768 Tb\n0.703604 0.294471 0.747232 Tb\n0.316404 0.684489 0.248200 In\n0.315511 0.683596 0.751800 In\n0.775118 0.768856 0.955615 Ge\n0.231144 0.224882 0.044385 Ge\n0.221770 0.228240 0.544109 Ge\n0.771760 0.778230 0.455891 Ge\n0.612098 0.591845 0.113295 O\n0.408155 0.387902 0.886705 O\n0.402590 0.386422 0.386876 O\n0.613578 0.597410 0.613124 O\n0.592464 0.901175 0.853319 O\n0.098825 0.407536 0.146681 O\n0.377683 0.057075 0.642324 O\n0.942925 0.622317 0.357676 O\n0.957968 0.042032 0.000000 O\n0.936143 0.063857 0.500000 O\n0.940147 0.605832 0.859198 O\n0.394168 0.059853 0.140802 O\n0.099066 0.416653 0.645646 O\n0.583347 0.900934 0.354354 O\n",
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"density": 5.752287218327117,
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"formula_full": "Tb2 In2 Ge4 O14",
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{
"id": "mp-752822",
"created_at": "2022-09-04T14:45:36.696444Z",
"structure_string": "Rb2 Cr2 H8 C8 O20\n1.0\n-6.844417 -0.000144 -0.044209\n-0.000158 -7.310199 -0.000121\n3.042447 -3.654865 10.333080\nRb Cr H C O\n2 2 8 8 20\ndirect\n0.750025 0.749987 0.500011 Rb\n0.250035 0.249999 0.499983 Rb\n0.499938 0.500055 0.999982 Cr\n0.999859 0.999989 0.999989 Cr\n0.706565 0.061969 0.101670 H\n0.206533 0.561869 0.101690 H\n0.706578 0.836386 0.101653 H\n0.206554 0.336457 0.101686 H\n0.793453 0.438138 0.898333 H\n0.293390 0.938029 0.898374 H\n0.793468 0.663501 0.898348 H\n0.293411 0.163572 0.898389 H\n0.248485 0.730151 0.752751 C\n0.748496 0.230222 0.752747 C\n0.248455 0.517098 0.752769 C\n0.748468 0.017023 0.752769 C\n0.251564 0.982986 0.247226 C\n0.751599 0.482901 0.247225 C\n0.251523 0.769788 0.247233 C\n0.751552 0.269855 0.247233 C\n0.746612 0.968909 0.062205 O\n0.246897 0.468858 0.062290 O\n0.753051 0.531124 0.937726 O\n0.253278 0.031083 0.937819 O\n0.853716 0.135678 0.341225 O\n0.353845 0.635768 0.341334 O\n0.853747 0.523177 0.341198 O\n0.353868 0.022959 0.341307 O\n0.646233 0.977009 0.658702 O\n0.146326 0.476810 0.658786 O\n0.646225 0.364220 0.658637 O\n0.146317 0.864350 0.658722 O\n0.637723 0.252054 0.138324 O\n0.137810 0.751170 0.138612 O\n0.637752 0.609625 0.138323 O\n0.137811 0.110229 0.138604 O\n0.862173 0.889776 0.861412 O\n0.362259 0.390401 0.861681 O\n0.862164 0.248838 0.861382 O\n0.362245 0.747985 0.861650 O\n",
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"volume_molar": 7.768946968529423,
"formula_full": "Rb2 Cr2 H8 C8 O20",
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{
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"created_at": "2022-09-04T14:39:41.402445Z",
"structure_string": "Mg1 Mn1 F6\n1.0\n4.684569 -2.610240 0.000000\n4.684569 2.610240 0.000000\n3.230144 0.000000 4.280737\nMg Mn F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.675121 0.848004 0.237120 F\n0.848004 0.237120 0.675121 F\n0.762880 0.324879 0.151996 F\n0.151996 0.762880 0.324879 F\n0.324879 0.151996 0.762880 F\n0.237120 0.675121 0.848004 F\n",
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"formula_full": "Mg1 Mn1 F6",
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},
{
"id": "mp-1226695",
"created_at": "2022-09-04T14:41:51.880193Z",
"structure_string": "Co2 H30 Br4 N12 O4\n1.0\n7.037902 0.000000 0.000000\n1.281643 6.921997 0.000000\n0.733194 0.628328 11.189556\nCo H Br N O\n2 30 4 12 4\ndirect\n0.707636 0.292538 0.750129 Co\n0.292364 0.707462 0.249871 Co\n0.594462 0.980381 0.712162 H\n0.019253 0.405660 0.788294 H\n0.405538 0.019619 0.287838 H\n0.980747 0.594340 0.211706 H\n0.551190 0.272443 0.958385 H\n0.727629 0.448617 0.541686 H\n0.448810 0.727557 0.041615 H\n0.272371 0.551383 0.458314 H\n0.415003 0.165465 0.697623 H\n0.834703 0.585552 0.802366 H\n0.584997 0.834535 0.302377 H\n0.165297 0.414448 0.197634 H\n0.727862 0.400667 0.958119 H\n0.599552 0.272161 0.541879 H\n0.272138 0.599333 0.041881 H\n0.400448 0.727839 0.458121 H\n0.473694 0.076009 0.833345 H\n0.923804 0.526398 0.666711 H\n0.526306 0.923991 0.166655 H\n0.076196 0.473602 0.333289 H\n0.778884 0.160806 0.961582 H\n0.839756 0.220743 0.538760 H\n0.221116 0.839194 0.038418 H\n0.160244 0.779257 0.461240 H\n0.060539 0.112001 0.726497 H\n0.939461 0.887999 0.273503 H\n0.916342 0.969041 0.689361 H\n0.083658 0.030959 0.310639 H\n0.943984 0.995211 0.833104 H\n0.056016 0.004789 0.166896 H\n0.776658 0.809343 0.511668 Br\n0.190372 0.223170 0.988765 Br\n0.223342 0.190657 0.488332 Br\n0.809628 0.776830 0.011235 Br\n0.490786 0.509174 0.749985 N\n0.509214 0.490826 0.250015 N\n0.529447 0.107323 0.749123 N\n0.892438 0.470901 0.751035 N\n0.470553 0.892677 0.250877 N\n0.107562 0.529099 0.248965 N\n0.689936 0.280294 0.925889 N\n0.720122 0.309749 0.574153 N\n0.310064 0.719706 0.074111 N\n0.279878 0.690251 0.425847 N\n0.932006 0.067445 0.750399 N\n0.067994 0.932555 0.249601 N\n0.494609 0.649298 0.811942 O\n0.350663 0.505246 0.688011 O\n0.505391 0.350702 0.188058 O\n0.649337 0.494754 0.311989 O\n",
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],
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"volume_molar": 6.312989031655095,
"formula_full": "Co2 H30 Br4 N12 O4",
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{
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{
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}