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{
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{
"id": "mp-849225",
"created_at": "2022-09-04T14:40:43.796839Z",
"structure_string": "Li6 Mn8 B8 O24\n1.0\n6.176225 0.000000 0.000000\n1.101458 9.290213 0.000000\n1.633234 3.643220 8.797010\nLi Mn B O\n6 8 8 24\ndirect\n0.536094 0.871575 0.781423 Li\n0.023036 0.349760 0.783408 Li\n0.463906 0.128425 0.218577 Li\n0.530889 0.370720 0.282637 Li\n0.976964 0.650240 0.216592 Li\n0.469111 0.629280 0.717363 Li\n0.252385 0.045490 0.952484 Mn\n0.747615 0.954510 0.047516 Mn\n0.238042 0.956002 0.555840 Mn\n0.242800 0.452338 0.049837 Mn\n0.761958 0.043998 0.444160 Mn\n0.757200 0.547662 0.950163 Mn\n0.253576 0.559280 0.449016 Mn\n0.746424 0.440720 0.550984 Mn\n0.101545 0.782387 0.891145 B\n0.590374 0.783834 0.383550 B\n0.580080 0.285214 0.883050 B\n0.091700 0.288138 0.376567 B\n0.898455 0.217613 0.108855 B\n0.409626 0.216166 0.616450 B\n0.419920 0.714786 0.116950 B\n0.908300 0.711862 0.623433 B\n0.256209 0.777682 0.771348 O\n0.032254 0.920771 0.909835 O\n0.497015 0.854434 0.995890 O\n0.723682 0.775635 0.259011 O\n0.520189 0.927992 0.397090 O\n0.502985 0.145566 0.004110 O\n0.012253 0.147588 0.483814 O\n0.740534 0.277753 0.771166 O\n0.259811 0.281446 0.264593 O\n0.987747 0.852412 0.516186 O\n0.967746 0.079229 0.090165 O\n0.479811 0.072008 0.602910 O\n0.501662 0.427544 0.892894 O\n0.009773 0.430298 0.385150 O\n0.017373 0.646304 0.003567 O\n0.743791 0.222318 0.228652 O\n0.276318 0.224365 0.740989 O\n0.982627 0.353696 0.996433 O\n0.478463 0.352437 0.494504 O\n0.498338 0.572456 0.107106 O\n0.259466 0.722247 0.228834 O\n0.521537 0.647563 0.505496 O\n0.990227 0.569702 0.614850 O\n0.740189 0.718554 0.735407 O\n",
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"B",
"O"
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"formula_full": "Li6 Mn8 B8 O24",
"formula_reduced": "Li3Mn4(BO3)4",
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},
{
"id": "mp-771106",
"created_at": "2022-09-04T14:41:25.304404Z",
"structure_string": "Dy4 P12 O36\n1.0\n9.796236 0.000000 0.000000\n0.000000 7.063958 0.000000\n0.000000 0.357046 11.087539\nDy P O\n4 12 36\ndirect\n0.250000 0.811140 0.018080 Dy\n0.250000 0.672316 0.536702 Dy\n0.750000 0.327684 0.463298 Dy\n0.750000 0.188860 0.981920 Dy\n0.466016 0.826657 0.283887 P\n0.033984 0.826657 0.283887 P\n0.750000 0.815689 0.373876 P\n0.490158 0.766453 0.767644 P\n0.009842 0.766453 0.767644 P\n0.750000 0.678165 0.896769 P\n0.250000 0.321835 0.103231 P\n0.990158 0.233547 0.232356 P\n0.509842 0.233547 0.232356 P\n0.250000 0.184311 0.626124 P\n0.966016 0.173343 0.716113 P\n0.533984 0.173343 0.716113 P\n0.250000 0.989366 0.576141 O\n0.948859 0.949223 0.694424 O\n0.551141 0.949223 0.694424 O\n0.750000 0.874079 0.945075 O\n0.415891 0.827751 0.878195 O\n0.084109 0.827751 0.878195 O\n0.871864 0.796099 0.277169 O\n0.628136 0.796099 0.277169 O\n0.089730 0.779746 0.163104 O\n0.410270 0.779746 0.163104 O\n0.408614 0.728314 0.394548 O\n0.091386 0.728314 0.394548 O\n0.874575 0.650908 0.803451 O\n0.625425 0.650908 0.803451 O\n0.414374 0.649167 0.679335 O\n0.085626 0.649167 0.679335 O\n0.750000 0.648376 0.461140 O\n0.750000 0.511067 0.983547 O\n0.250000 0.488933 0.016453 O\n0.250000 0.351624 0.538860 O\n0.914374 0.350833 0.320665 O\n0.585626 0.350833 0.320665 O\n0.374575 0.349092 0.196549 O\n0.125425 0.349092 0.196549 O\n0.908614 0.271686 0.605452 O\n0.591386 0.271686 0.605452 O\n0.910270 0.220254 0.836896 O\n0.589730 0.220254 0.836896 O\n0.371864 0.203901 0.722831 O\n0.128136 0.203901 0.722831 O\n0.915891 0.172249 0.121805 O\n0.584109 0.172249 0.121805 O\n0.250000 0.125921 0.054925 O\n0.448859 0.050777 0.305576 O\n0.051141 0.050777 0.305576 O\n0.750000 0.010634 0.423859 O\n",
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"elements": [
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],
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"formula_full": "Dy4 P12 O36",
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"formula_anonymous": "AB3C9",
"energy": -418.6252172500001,
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"updated_at": "2021-11-28T01:35:20.676000Z",
"spacegroup": 11
},
{
"id": "mp-780509",
"created_at": "2022-09-04T14:39:38.108204Z",
"structure_string": "Li6 Mn8 B8 O24\n1.0\n-5.296158 0.000000 0.000000\n-0.095543 -9.048830 0.000000\n2.060451 1.902059 10.511989\nLi Mn B O\n6 8 8 24\ndirect\n0.504595 0.108044 0.158623 Li\n0.751260 0.632949 0.327158 Li\n0.238267 0.139618 0.340984 Li\n0.248807 0.359116 0.654594 Li\n0.989771 0.394783 0.840586 Li\n0.502965 0.881580 0.829602 Li\n0.974745 0.269222 0.119441 Mn\n0.479973 0.755299 0.121749 Mn\n0.765239 0.983986 0.381266 Mn\n0.271002 0.494215 0.374487 Mn\n0.723424 0.523349 0.622470 Mn\n0.232602 0.005137 0.620050 Mn\n0.516248 0.233007 0.873608 Mn\n0.027136 0.749414 0.877038 Mn\n0.983407 0.936384 0.122389 B\n0.494376 0.423546 0.136416 B\n0.756006 0.319960 0.370719 B\n0.262744 0.816647 0.370939 B\n0.739751 0.187320 0.628800 B\n0.240295 0.676560 0.633339 B\n0.507384 0.569007 0.869710 B\n0.014637 0.068616 0.871825 B\n0.569251 0.281949 0.081873 O\n0.637963 0.549295 0.144493 O\n0.141177 0.063154 0.150849 O\n0.001945 0.313879 0.342211 O\n0.747297 0.937676 0.159894 O\n0.269024 0.427282 0.188803 O\n0.076863 0.800496 0.062478 O\n0.600519 0.194278 0.350212 O\n0.663496 0.463468 0.414001 O\n0.497474 0.801009 0.330822 O\n0.839487 0.053207 0.580323 O\n0.108137 0.692825 0.368106 O\n0.887277 0.319236 0.651622 O\n0.176124 0.959310 0.411972 O\n0.493774 0.191790 0.659852 O\n0.307509 0.533880 0.568233 O\n0.393926 0.798826 0.646799 O\n0.929456 0.213468 0.912990 O\n0.751876 0.567574 0.840639 O\n0.252468 0.050262 0.835992 O\n0.025796 0.676929 0.690964 O\n0.856642 0.946096 0.868108 O\n0.354562 0.441914 0.848594 O\n0.409791 0.709959 0.912896 O\n",
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],
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"volume": 503.7769118853444,
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"formula_full": "Li6 Mn8 B8 O24",
"formula_reduced": "Li3Mn4(BO3)4",
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"energy": -370.32411108,
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"updated_at": "2021-11-28T01:34:32.901000Z",
"spacegroup": 1
},
{
"id": "mp-26228",
"created_at": "2022-09-04T14:39:36.186461Z",
"structure_string": "V4 P8 O28\n1.0\n4.018233 4.841438 0.000000\n-4.018233 4.841438 0.000000\n0.000000 4.684491 12.534673\nV P O\n4 8 28\ndirect\n0.598339 0.113033 0.642943 V\n0.113033 0.598339 0.142943 V\n0.401661 0.886967 0.357057 V\n0.886967 0.401661 0.857057 V\n0.584357 0.664009 0.568877 P\n0.751933 0.911068 0.864392 P\n0.248067 0.088932 0.135608 P\n0.664009 0.584357 0.068877 P\n0.335991 0.415643 0.931123 P\n0.088932 0.248067 0.635608 P\n0.415643 0.335991 0.431123 P\n0.911068 0.751933 0.364392 P\n0.608715 0.801772 0.980065 O\n0.801772 0.608715 0.480065 O\n0.214139 0.600967 0.987417 O\n0.126107 0.917789 0.118269 O\n0.022500 0.582427 0.296496 O\n0.417573 0.977500 0.203504 O\n0.785861 0.399033 0.012583 O\n0.460590 0.563848 0.357911 O\n0.436152 0.539410 0.142089 O\n0.198228 0.391285 0.519935 O\n0.600967 0.214139 0.487417 O\n0.399033 0.785861 0.512583 O\n0.720028 0.906831 0.322778 O\n0.355485 0.186403 0.370697 O\n0.644515 0.813597 0.629303 O\n0.906831 0.720028 0.822778 O\n0.279972 0.093169 0.677222 O\n0.813597 0.644515 0.129303 O\n0.917789 0.126107 0.618269 O\n0.582427 0.022500 0.796496 O\n0.391285 0.198228 0.019935 O\n0.873893 0.082211 0.881731 O\n0.539410 0.436152 0.642089 O\n0.093169 0.279972 0.177222 O\n0.977500 0.417573 0.703504 O\n0.186403 0.355485 0.870697 O\n0.563848 0.460590 0.857911 O\n0.082211 0.873893 0.381731 O\n",
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{
"id": "mp-1042052",
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"structure_string": "Ca2 P4 W2 O14\n1.0\n6.000588 0.000000 0.000000\n2.349705 6.373598 0.000000\n0.471028 1.252596 7.797802\nCa P W O\n2 4 2 14\ndirect\n0.310766 0.676979 0.653355 Ca\n0.689234 0.323021 0.346645 Ca\n0.163385 0.660148 0.119009 P\n0.836615 0.339852 0.880991 P\n0.220596 0.220176 0.616915 P\n0.779404 0.779824 0.383085 P\n0.284186 0.126826 0.165782 W\n0.715814 0.873174 0.834218 W\n0.082320 0.716590 0.929755 O\n0.917680 0.283410 0.070245 O\n0.257418 0.815542 0.178959 O\n0.742582 0.184458 0.821041 O\n0.343412 0.431536 0.157349 O\n0.656588 0.568464 0.842651 O\n0.623976 0.646328 0.449405 O\n0.376024 0.353672 0.550595 O\n0.051508 0.206464 0.488928 O\n0.948492 0.793536 0.511072 O\n0.073023 0.345671 0.771014 O\n0.629810 0.006778 0.294710 O\n0.370190 0.993222 0.705290 O\n0.926977 0.654329 0.228986 O\n",
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{
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"created_at": "2022-09-04T14:39:22.856449Z",
"structure_string": "Li3 V4 Cr1 O8\n1.0\n3.059326 5.227356 0.000000\n-3.059326 5.227356 0.000000\n0.000000 3.533182 4.957721\nLi V Cr O\n3 4 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 Cr\n0.740998 0.740998 0.748937 O\n0.254479 0.728852 0.245667 O\n0.728852 0.254479 0.245667 O\n0.259002 0.259002 0.251063 O\n0.249870 0.249870 0.727489 O\n0.745521 0.271148 0.754333 O\n0.271148 0.745521 0.754333 O\n0.750130 0.750130 0.272511 O\n",
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"spacegroup": 12
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{
"id": "mp-753305",
"created_at": "2022-09-04T14:40:10.617322Z",
"structure_string": "Li2 Ti2 Si2 O8\n1.0\n-2.839656 2.900527 4.037600\n2.839656 -2.900527 4.037600\n2.839656 2.900527 -4.037600\nLi Ti Si O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.633815 0.883815 0.750000 Si\n0.366185 0.116185 0.250000 Si\n0.246557 0.233191 0.486635 O\n0.246557 0.759922 0.013365 O\n0.721984 0.237661 0.484323 O\n0.253339 0.237661 0.015677 O\n0.278016 0.762339 0.515677 O\n0.746661 0.762339 0.984323 O\n0.753443 0.240078 0.986635 O\n0.753443 0.766809 0.513365 O\n",
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"formula_full": "Li2 Ti2 Si2 O8",
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{
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