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{
"id": "mp-760973",
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"structure_string": "Li6 V6 P16 O58\n1.0\n-9.747215 0.000000 0.000000\n4.872726 8.458586 0.000000\n-0.017600 -0.138597 -14.242355\nLi V P O\n6 6 16 58\ndirect\n0.656839 0.322987 0.606754 Li\n0.920053 0.692600 0.445516 Li\n0.231398 0.322576 0.056851 Li\n0.090680 0.770755 0.049820 Li\n0.946539 0.975432 0.993480 Li\n0.015569 0.055612 0.513069 Li\n0.000313 0.428277 0.750467 V\n0.002761 0.562088 0.250983 V\n0.441050 0.437182 0.252580 V\n0.566879 0.569610 0.752109 V\n0.433581 0.998753 0.750886 V\n0.562183 0.997831 0.251627 V\n0.306014 0.082326 0.161049 P\n0.308394 0.217327 0.660506 P\n0.781061 0.085357 0.655165 P\n0.667930 0.335369 0.867689 P\n0.670360 0.335297 0.368720 P\n0.912220 0.218554 0.161662 P\n0.087938 0.308596 0.343799 P\n0.778538 0.691627 0.155660 P\n0.226422 0.309291 0.842837 P\n0.905692 0.681882 0.658576 P\n0.085984 0.775087 0.838546 P\n0.331812 0.664162 0.630953 P\n0.332353 0.664795 0.133013 P\n0.222599 0.917580 0.345604 P\n0.695023 0.779931 0.339294 P\n0.697647 0.921137 0.839881 P\n0.203848 0.990013 0.432319 O\n0.349263 0.081195 0.666106 O\n0.213861 0.231918 0.934387 O\n0.343212 0.257213 0.162530 O\n0.463809 0.080534 0.174774 O\n0.523366 0.187205 0.820227 O\n0.626380 0.093733 0.665454 O\n0.793568 0.995981 0.924793 O\n0.737954 0.084656 0.168069 O\n0.523301 0.337512 0.322816 O\n0.470369 0.372745 0.668367 O\n0.667757 0.187680 0.325224 O\n0.668042 0.338551 0.971401 O\n0.669225 0.341574 0.473250 O\n0.816795 0.337259 0.822652 O\n0.617356 0.536507 0.170617 O\n0.663748 0.479711 0.820984 O\n0.917638 0.262341 0.666206 O\n0.995032 0.199185 0.254634 O\n0.018692 0.224003 0.431437 O\n0.000351 0.210488 0.078501 O\n0.915700 0.379897 0.175041 O\n0.818809 0.487534 0.329742 O\n0.086335 0.342256 0.829775 O\n0.892990 0.518239 0.670964 O\n0.733746 0.653373 0.666729 O\n0.210168 0.195750 0.757059 O\n0.205913 0.198287 0.579675 O\n0.786339 0.781790 0.422750 O\n0.263099 0.350067 0.327422 O\n0.084783 0.465701 0.327682 O\n0.914470 0.650820 0.166138 O\n0.179003 0.524805 0.676482 O\n0.083754 0.617454 0.825423 O\n0.015327 0.790659 0.928084 O\n0.982333 0.765286 0.570449 O\n0.996020 0.792674 0.748730 O\n0.084399 0.740929 0.335015 O\n0.329664 0.512973 0.169745 O\n0.382690 0.465934 0.827165 O\n0.183942 0.667860 0.179179 O\n0.318018 0.667353 0.029301 O\n0.329518 0.664724 0.527411 O\n0.346536 0.816860 0.679230 O\n0.534683 0.619972 0.324612 O\n0.471827 0.652087 0.676902 O\n0.259702 0.914593 0.829673 O\n0.204027 0.004693 0.254547 O\n0.209295 0.992151 0.078231 O\n0.382576 0.919709 0.329248 O\n0.478132 0.811070 0.179745 O\n0.543286 0.927424 0.828578 O\n0.654204 0.743507 0.830358 O\n0.799684 0.783864 0.069903 O\n0.797655 0.799334 0.246681 O\n0.655857 0.914741 0.333550 O\n0.805519 0.010316 0.571226 O\n0.800172 0.002222 0.747764 O\n",
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"formula_full": "Li6 V6 P16 O58",
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"spacegroup": 1
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{
"id": "mp-1223934",
"created_at": "2022-09-04T14:40:06.535014Z",
"structure_string": "Ho1 U1 Te4\n1.0\n-2.097775 3.047394 7.063381\n2.097775 -3.047394 7.063381\n2.097775 3.047394 -7.063381\nHo U Te\n1 1 4\ndirect\n0.138502 0.138502 0.000000 Ho\n0.862890 0.862890 0.000000 U\n0.704871 0.204871 0.500000 Te\n0.296631 0.796631 0.500000 Te\n0.750813 0.498553 0.252260 Te\n0.246294 0.498553 0.747740 Te\n",
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"formula_full": "Ho1 U1 Te4",
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{
"id": "mp-4530",
"created_at": "2022-09-04T14:40:22.849411Z",
"structure_string": "Cd4 Si2 O8\n1.0\n0.000000 5.010530 6.002895\n3.052641 0.000000 6.002895\n3.052641 5.010530 0.000000\nCd Si O\n4 2 8\ndirect\n0.564161 0.935839 0.564161 Cd\n0.935839 0.564161 0.935839 Cd\n0.685839 0.314161 0.685839 Cd\n0.314161 0.685839 0.314161 Cd\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Si\n0.271954 0.375544 0.434502 O\n0.918000 0.434502 0.375544 O\n0.434502 0.918000 0.271954 O\n0.375544 0.271954 0.918000 O\n0.978046 0.874456 0.815498 O\n0.332000 0.815498 0.874456 O\n0.874456 0.978046 0.332000 O\n0.815498 0.332000 0.978046 O\n",
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{
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"structure_string": "Mg2 N4 O24\n1.0\n-4.733765 0.000000 1.131505\n0.684893 0.000000 -7.660820\n0.000000 -12.578761 0.000000\nMg N O\n2 4 24\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.539347 0.956229 0.702862 N\n0.460653 0.543771 0.202862 N\n0.460653 0.043771 0.297138 N\n0.539347 0.456229 0.797138 N\n0.985389 0.058949 0.847427 O\n0.014611 0.441051 0.347427 O\n0.014611 0.941051 0.152573 O\n0.985389 0.558949 0.652573 O\n0.521002 0.805681 0.975210 O\n0.478998 0.694319 0.475210 O\n0.478998 0.194320 0.024790 O\n0.521002 0.305681 0.524790 O\n0.263141 0.786676 0.994178 O\n0.736859 0.713324 0.494178 O\n0.736859 0.213324 0.005822 O\n0.263141 0.286676 0.505822 O\n0.375112 0.947802 0.625756 O\n0.624888 0.552198 0.125756 O\n0.624888 0.052198 0.374244 O\n0.375112 0.447802 0.874244 O\n0.779750 0.928742 0.689087 O\n0.220250 0.571258 0.189087 O\n0.220250 0.071258 0.310913 O\n0.779750 0.428742 0.810913 O\n0.471786 0.993284 0.795111 O\n0.528214 0.506716 0.295111 O\n0.528214 0.006716 0.204889 O\n0.471786 0.493284 0.704889 O\n",
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{
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"created_at": "2022-09-04T14:40:20.207200Z",
"structure_string": "La6 Re2 O16\n1.0\n4.353081 -6.256768 0.000000\n4.353081 6.256768 0.000000\n0.000000 0.000000 6.319169\nLa Re O\n6 2 16\ndirect\n0.108528 0.339132 0.250000 La\n0.891472 0.660868 0.750000 La\n0.599895 0.400105 0.250000 La\n0.400105 0.599895 0.750000 La\n0.339132 0.108528 0.750000 La\n0.660868 0.891472 0.250000 La\n0.179194 0.820806 0.250000 Re\n0.820806 0.179194 0.750000 Re\n0.964895 0.035105 0.750000 O\n0.035105 0.964895 0.250000 O\n0.031422 0.413647 0.750000 O\n0.968578 0.586353 0.250000 O\n0.660573 0.339427 0.750000 O\n0.339427 0.660573 0.250000 O\n0.586353 0.968578 0.750000 O\n0.413647 0.031422 0.250000 O\n0.666155 0.666155 0.000000 O\n0.333845 0.333845 0.500000 O\n0.333845 0.333845 0.000000 O\n0.666155 0.666155 0.500000 O\n0.803720 0.196280 0.048251 O\n0.196280 0.803720 0.548251 O\n0.196280 0.803720 0.951749 O\n0.803720 0.196280 0.451749 O\n",
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{
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"structure_string": "Y2 Fe4 O8\n1.0\n-1.812468 3.043336 0.003136\n-3.467379 0.002471 0.734409\n1.680244 3.073853 16.602612\nY Fe O\n2 4 8\ndirect\n0.499970 0.499857 0.499785 Y\n0.999740 0.999518 0.000073 Y\n0.105498 0.105409 0.680258 Fe\n0.394178 0.391785 0.819743 Fe\n0.605397 0.605649 0.180420 Fe\n0.894477 0.894699 0.319554 Fe\n0.064825 0.067761 0.806889 O\n0.562281 0.562221 0.307442 O\n0.437583 0.437770 0.692689 O\n0.937207 0.937683 0.193130 O\n0.145252 0.145162 0.562553 O\n0.645234 0.645149 0.062653 O\n0.353888 0.353093 0.937449 O\n0.854471 0.854244 0.437363 O\n",
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{
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"structure_string": "Li10 Cr6 Ni2 O16\n1.0\n2.977967 -5.201001 0.000000\n2.977967 5.201001 0.000000\n0.000000 0.000000 9.819320\nLi Cr Ni O\n10 6 2 16\ndirect\n0.505286 0.494714 0.014377 Li\n0.494714 0.505286 0.514377 Li\n0.887869 0.687428 0.440087 Li\n0.312571 0.112131 0.440087 Li\n0.298816 0.701184 0.443650 Li\n0.171560 0.828440 0.216318 Li\n0.687428 0.887869 0.940087 Li\n0.701184 0.298816 0.943650 Li\n0.828440 0.171560 0.716318 Li\n0.112131 0.312572 0.940087 Li\n0.832225 0.672092 0.714113 Cr\n0.327908 0.167775 0.714113 Cr\n0.327459 0.672541 0.714301 Cr\n0.672541 0.327459 0.214301 Cr\n0.672092 0.832225 0.214113 Cr\n0.167775 0.327908 0.214113 Cr\n0.165013 0.834987 0.970205 Ni\n0.834987 0.165013 0.470205 Ni\n0.495063 0.504937 0.824178 O\n0.504937 0.495063 0.324178 O\n0.827703 0.657717 0.097643 O\n0.005401 0.994599 0.832943 O\n0.342283 0.172297 0.097643 O\n0.163207 0.836793 0.599212 O\n0.003796 0.520199 0.831931 O\n0.479801 0.996204 0.831931 O\n0.656890 0.343110 0.595243 O\n0.343110 0.656890 0.095243 O\n0.520199 0.003796 0.331931 O\n0.657717 0.827703 0.597643 O\n0.996204 0.479801 0.331931 O\n0.836793 0.163207 0.099212 O\n0.994599 0.005401 0.332943 O\n0.172297 0.342283 0.597643 O\n",
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{
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"structure_string": "Li2 Ge4 N6\n1.0\n2.788112 -4.814222 0.000000\n2.788112 4.814222 0.000000\n0.000000 0.000000 5.101682\nLi Ge N\n2 4 6\ndirect\n0.658506 0.658506 0.488321 Li\n0.341494 0.341494 0.988321 Li\n0.329932 0.003286 0.492655 Ge\n0.003286 0.329932 0.492655 Ge\n0.670068 0.996714 0.992655 Ge\n0.996714 0.670068 0.992655 Ge\n0.335582 0.961441 0.861363 N\n0.961441 0.335582 0.861363 N\n0.664418 0.038559 0.361363 N\n0.038559 0.664418 0.361363 N\n0.701509 0.701509 0.891646 N\n0.298491 0.298491 0.391646 N\n",
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{
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{
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{
"id": "mp-774444",
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"structure_string": "Li8 Mn12 Si16 O48\n1.0\n7.672628 0.000000 0.000000\n0.000000 10.388620 0.000000\n0.000000 0.000000 14.092742\nLi Mn Si O\n8 12 16 48\ndirect\n0.032276 0.750000 0.140377 Li\n0.236383 0.750000 0.495150 Li\n0.263617 0.250000 0.995150 Li\n0.467724 0.250000 0.640377 Li\n0.532276 0.750000 0.359623 Li\n0.736383 0.750000 0.004850 Li\n0.763617 0.250000 0.504850 Li\n0.967724 0.250000 0.859623 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.229774 0.750000 0.715317 Mn\n0.292106 0.750000 0.939455 Mn\n0.207894 0.250000 0.439455 Mn\n0.270226 0.250000 0.215317 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.729774 0.750000 0.784683 Mn\n0.707894 0.250000 0.060545 Mn\n0.792106 0.750000 0.560545 Mn\n0.770226 0.250000 0.284683 Mn\n0.180220 0.037302 0.622924 Si\n0.180220 0.462698 0.622924 Si\n0.220449 0.538701 0.333539 Si\n0.220449 0.961299 0.333539 Si\n0.279551 0.038701 0.833539 Si\n0.279551 0.461299 0.833539 Si\n0.319780 0.537302 0.122924 Si\n0.319780 0.962698 0.122924 Si\n0.680220 0.037302 0.877076 Si\n0.680220 0.462698 0.877076 Si\n0.720449 0.538701 0.166461 Si\n0.720449 0.961299 0.166461 Si\n0.779551 0.038701 0.666461 Si\n0.779551 0.461299 0.666461 Si\n0.819780 0.537302 0.377076 Si\n0.819780 0.962698 0.377076 Si\n0.027199 0.578493 0.376519 O\n0.027199 0.921507 0.376519 O\n0.136854 0.390068 0.900484 O\n0.136854 0.109932 0.900484 O\n0.211165 0.883737 0.608125 O\n0.211165 0.616263 0.608125 O\n0.220135 0.614094 0.038036 O\n0.220135 0.885906 0.038036 O\n0.242260 0.118292 0.328209 O\n0.242260 0.381708 0.328209 O\n0.229873 0.592420 0.222700 O\n0.229873 0.907580 0.222700 O\n0.270127 0.407580 0.722700 O\n0.270127 0.092420 0.722700 O\n0.257740 0.618292 0.828209 O\n0.257740 0.881708 0.828209 O\n0.279865 0.114094 0.538036 O\n0.279865 0.385906 0.538036 O\n0.288835 0.116263 0.108125 O\n0.288835 0.383737 0.108125 O\n0.363146 0.609932 0.400484 O\n0.363146 0.890068 0.400484 O\n0.472801 0.078493 0.876519 O\n0.472801 0.421507 0.876519 O\n0.527199 0.921507 0.123481 O\n0.527199 0.578493 0.123481 O\n0.636854 0.109932 0.599516 O\n0.636854 0.390068 0.599516 O\n0.711165 0.616263 0.891875 O\n0.711165 0.883737 0.891875 O\n0.720135 0.614094 0.461964 O\n0.720135 0.885906 0.461964 O\n0.742260 0.118292 0.171791 O\n0.742260 0.381708 0.171791 O\n0.729873 0.592420 0.277300 O\n0.729873 0.907580 0.277300 O\n0.770127 0.092420 0.777300 O\n0.770127 0.407580 0.777300 O\n0.757740 0.618292 0.671791 O\n0.757740 0.881708 0.671791 O\n0.779865 0.114094 0.961964 O\n0.779865 0.385906 0.961964 O\n0.788835 0.116263 0.391875 O\n0.788835 0.383737 0.391875 O\n0.863146 0.609932 0.099516 O\n0.863146 0.890068 0.099516 O\n0.972801 0.078493 0.623481 O\n0.972801 0.421507 0.623481 O\n",
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"volume_molar": 8.053211789537825,
"formula_full": "Li8 Mn12 Si16 O48",
"formula_reduced": "Li2Mn3(SiO3)4",
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"spacegroup": 62
},
{
"id": "mp-554856",
"created_at": "2022-09-04T14:40:34.361444Z",
"structure_string": "Na8 Si8 O20\n1.0\n5.651165 0.000000 0.000000\n0.000000 8.463534 0.000000\n0.000000 0.000000 9.536231\nNa Si O\n8 8 20\ndirect\n0.062343 0.478302 0.010987 Na\n0.086958 0.753170 0.754401 Na\n0.913042 0.753170 0.254401 Na\n0.913042 0.253170 0.245599 Na\n0.937657 0.478302 0.510987 Na\n0.062343 0.978302 0.489013 Na\n0.937657 0.978302 0.989013 Na\n0.086958 0.253170 0.745599 Na\n0.549272 0.248908 0.952712 Si\n0.369876 0.056761 0.191737 Si\n0.369876 0.556761 0.308263 Si\n0.630124 0.556761 0.808263 Si\n0.450728 0.248908 0.452712 Si\n0.549272 0.748908 0.547288 Si\n0.630124 0.056761 0.691737 Si\n0.450728 0.748908 0.047288 Si\n0.891026 0.001897 0.732780 O\n0.181154 0.746693 0.999116 O\n0.642252 0.708778 0.920423 O\n0.818846 0.246693 0.000884 O\n0.357748 0.708778 0.420423 O\n0.457902 0.421152 0.885441 O\n0.108974 0.001897 0.232780 O\n0.473217 0.619640 0.672290 O\n0.357748 0.208778 0.079577 O\n0.526783 0.119640 0.327710 O\n0.473217 0.119640 0.827710 O\n0.891026 0.501897 0.767220 O\n0.108974 0.501897 0.267220 O\n0.542098 0.421152 0.385441 O\n0.181154 0.246693 0.500884 O\n0.526783 0.619640 0.172290 O\n0.818846 0.746693 0.499116 O\n0.542098 0.921152 0.114559 O\n0.642252 0.208778 0.579577 O\n0.457902 0.921152 0.614559 O\n",
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"formula_full": "Na8 Si8 O20",
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}
]
}