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{
"id": "mp-1174216",
"created_at": "2022-09-04T14:39:12.051418Z",
"structure_string": "Li4 Mn3 Co1 O8\n1.0\n5.089030 0.000000 0.000000\n1.641473 5.619672 0.000000\n1.341915 2.591502 5.271080\nLi Mn Co O\n4 3 1 8\ndirect\n0.517238 0.259711 0.227159 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.482762 0.740289 0.772841 Li\n0.499240 0.246206 0.757793 Mn\n0.000000 0.500000 0.500000 Mn\n0.500760 0.753794 0.242207 Mn\n0.000000 0.000000 0.000000 Co\n0.737836 0.368342 0.869519 O\n0.248239 0.597438 0.630331 O\n0.253754 0.097832 0.141283 O\n0.774643 0.871163 0.333682 O\n0.225357 0.128837 0.666318 O\n0.751761 0.402562 0.369669 O\n0.746246 0.902168 0.858717 O\n0.262164 0.631658 0.130481 O\n",
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{
"id": "mp-1175970",
"created_at": "2022-09-04T14:47:18.562314Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.901534 0.000000 0.000000\n0.307854 5.901606 0.000000\n2.878478 0.120759 8.155783\nLi Mn Co O\n9 2 5 16\ndirect\n0.122838 0.248830 0.253857 Li\n0.251670 0.006778 0.509184 Li\n0.622232 0.252586 0.252239 Li\n0.737127 0.008229 0.510907 Li\n0.877778 0.750280 0.745801 Li\n0.376339 0.746460 0.747853 Li\n0.500343 0.493429 0.992553 Li\n0.011671 0.494506 0.986064 Li\n0.374596 0.250141 0.746171 Li\n0.004354 0.006932 0.998744 Mn\n0.125965 0.747573 0.251338 Mn\n0.250908 0.494641 0.500088 Co\n0.500537 0.002281 0.995723 Co\n0.627908 0.750974 0.252417 Co\n0.740808 0.491374 0.504328 Co\n0.873199 0.257298 0.747655 Co\n0.895837 0.989322 0.240035 O\n0.022263 0.737650 0.485037 O\n0.372092 0.966842 0.237536 O\n0.525622 0.740493 0.485021 O\n0.638806 0.494720 0.741100 O\n0.125226 0.492087 0.730752 O\n0.241903 0.215385 0.001915 O\n0.767796 0.244346 0.003916 O\n0.362908 0.512076 0.255536 O\n0.489453 0.266942 0.493946 O\n0.881651 0.531827 0.260691 O\n0.977346 0.257307 0.502555 O\n0.103246 0.006743 0.767572 O\n0.622392 0.007476 0.770710 O\n0.749836 0.782065 0.016822 O\n0.225345 0.752409 0.011934 O\n",
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"elements": [
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],
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"density_atomic": 0.11265466767582656,
"volume": 284.0539203584776,
"volume_molar": 5.345664661964319,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
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"updated_at": "2021-11-28T01:38:02.186000Z",
"spacegroup": 1
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{
"id": "mp-1213312",
"created_at": "2022-09-04T14:44:12.668480Z",
"structure_string": "Cs2 Eu2 W4 O16\n1.0\n5.513367 5.501166 0.000000\n-5.513367 5.501166 0.000000\n0.000000 4.888450 5.866675\nCs Eu W O\n2 2 4 16\ndirect\n0.198272 0.801728 0.250000 Cs\n0.801728 0.198272 0.750000 Cs\n0.774399 0.225601 0.250000 Eu\n0.225601 0.774399 0.750000 Eu\n0.696048 0.686314 0.278343 W\n0.303952 0.313686 0.721657 W\n0.313686 0.303952 0.221657 W\n0.686314 0.696048 0.778343 W\n0.621421 0.749422 0.062339 O\n0.378579 0.250578 0.937661 O\n0.250578 0.378579 0.437661 O\n0.749422 0.621421 0.562339 O\n0.380567 0.072762 0.367096 O\n0.619433 0.927238 0.632904 O\n0.927238 0.619433 0.132904 O\n0.072762 0.380567 0.867096 O\n0.582651 0.373228 0.469800 O\n0.417349 0.626772 0.530200 O\n0.626772 0.417349 0.030200 O\n0.373228 0.582651 0.969800 O\n0.785941 0.942948 0.197536 O\n0.214059 0.057052 0.802464 O\n0.057052 0.214059 0.302464 O\n0.942948 0.785941 0.697536 O\n",
"nsites": 24,
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"volume": 355.87188464060284,
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"formula_full": "Cs2 Eu2 W4 O16",
"formula_reduced": "CsEu(WO4)2",
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"spacegroup": 15
},
{
"id": "mp-1048889",
"created_at": "2022-09-04T14:41:20.193720Z",
"structure_string": "Mg2 Cr4 O8\n1.0\n5.242960 -2.993035 0.000000\n5.242960 2.993035 0.000000\n3.534335 0.000000 4.894422\nMg Cr O\n2 4 8\ndirect\n0.003333 0.003333 0.003333 Mg\n0.627182 0.627182 0.627182 Mg\n0.244757 0.244757 0.244757 Cr\n0.626082 0.626082 0.119590 Cr\n0.119590 0.626082 0.626082 Cr\n0.626082 0.119590 0.626082 Cr\n0.377959 0.851372 0.377959 O\n0.851372 0.377959 0.377959 O\n0.377959 0.377959 0.851372 O\n0.385221 0.385221 0.385221 O\n0.865095 0.865095 0.865095 O\n0.869063 0.869063 0.407243 O\n0.407243 0.869063 0.869063 O\n0.869063 0.407243 0.869063 O\n",
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],
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"density_atomic": 0.09113984558784498,
"volume": 153.61009128006614,
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"formula_full": "Mg2 Cr4 O8",
"formula_reduced": "MgCr2O4",
"formula_anonymous": "AB2C4",
"energy": -116.55111535,
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"updated_at": "2021-11-28T01:35:14.255000Z",
"spacegroup": 160
},
{
"id": "mp-768659",
"created_at": "2022-09-04T14:41:09.175671Z",
"structure_string": "Li4 Co4 S6 O24\n1.0\n4.317449 6.545875 0.000000\n-4.317449 6.545875 0.000000\n0.000000 3.846589 7.922319\nLi Co S O\n4 4 6 24\ndirect\n0.671405 0.862912 0.055304 Li\n0.862912 0.671405 0.555304 Li\n0.137088 0.328595 0.444696 Li\n0.328595 0.137088 0.944696 Li\n0.368865 0.873482 0.483226 Co\n0.873482 0.368865 0.983226 Co\n0.126518 0.631135 0.016774 Co\n0.631135 0.126518 0.516774 Co\n0.749829 0.539235 0.322939 S\n0.539235 0.749829 0.822939 S\n0.058864 0.941136 0.250000 S\n0.941136 0.058864 0.750000 S\n0.460765 0.250171 0.177061 S\n0.250171 0.460765 0.677061 S\n0.872448 0.951129 0.384901 O\n0.951129 0.872448 0.884901 O\n0.875953 0.502103 0.428301 O\n0.612245 0.738153 0.311373 O\n0.867625 0.542942 0.139947 O\n0.502103 0.875953 0.928301 O\n0.215811 0.903613 0.322296 O\n0.651319 0.395122 0.382916 O\n0.738153 0.612245 0.811373 O\n0.542942 0.867625 0.639947 O\n0.903613 0.215811 0.822296 O\n0.604878 0.348681 0.117084 O\n0.395122 0.651319 0.882916 O\n0.096387 0.784189 0.177704 O\n0.457058 0.132375 0.360053 O\n0.261847 0.387755 0.188627 O\n0.348681 0.604878 0.617084 O\n0.784189 0.096387 0.677704 O\n0.497897 0.124047 0.071699 O\n0.132375 0.457058 0.860053 O\n0.387755 0.261847 0.688627 O\n0.124047 0.497897 0.571699 O\n0.048871 0.127552 0.115099 O\n0.127552 0.048871 0.615099 O\n",
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"elements": [
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"density": 3.1144771682386065,
"density_atomic": 0.08486064948129221,
"volume": 447.79294328141117,
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"formula_full": "Li4 Co4 S6 O24",
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{
"id": "mp-1218163",
"created_at": "2022-09-04T14:44:28.681316Z",
"structure_string": "Sr2 La2 Fe2 Co2 O12\n1.0\n5.543441 0.022689 -0.032091\n0.000038 6.313239 4.464132\n-0.039400 -3.202051 4.528446\nSr La Fe Co O\n2 2 2 2 12\ndirect\n0.000001 0.750404 0.500041 Sr\n0.500000 0.249545 0.000035 Sr\n0.000011 0.249764 0.500135 La\n0.500002 0.749702 0.000176 La\n0.000014 0.499982 0.000022 Fe\n0.499984 0.999901 0.499976 Fe\n0.999999 0.999993 0.000013 Co\n0.499990 0.499912 0.500001 Co\n0.500006 0.249038 0.499981 O\n0.000009 0.759422 0.999978 O\n0.500001 0.750968 0.499924 O\n0.999984 0.240652 0.999936 O\n0.746910 0.000107 0.746674 O\n0.256283 0.500156 0.255603 O\n0.253126 0.000069 0.253273 O\n0.743767 0.500116 0.744369 O\n0.252424 0.000086 0.747337 O\n0.751512 0.500104 0.248144 O\n0.747546 0.000042 0.252591 O\n0.248431 0.500039 0.751790 O\n",
"nsites": 20,
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{
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"created_at": "2022-09-04T14:44:01.164308Z",
"structure_string": "Zn4 Mo6 O16\n1.0\n3.143649 -5.444960 0.000000\n3.143649 5.444960 0.000000\n0.000000 0.000000 9.557708\nZn Mo O\n4 6 16\ndirect\n0.333333 0.666667 0.787703 Zn\n0.666667 0.333333 0.287703 Zn\n0.666667 0.333333 0.905124 Zn\n0.333333 0.666667 0.405124 Zn\n0.164020 0.328039 0.078647 Mo\n0.328039 0.164020 0.578647 Mo\n0.164020 0.835980 0.078647 Mo\n0.835980 0.164020 0.578647 Mo\n0.835980 0.671961 0.578647 Mo\n0.671961 0.835980 0.078647 Mo\n0.000000 0.000000 0.466677 O\n0.000000 0.000000 0.966677 O\n0.666667 0.333333 0.695805 O\n0.333333 0.666667 0.195805 O\n0.518260 0.036520 0.453900 O\n0.481740 0.518260 0.953900 O\n0.036520 0.518260 0.953900 O\n0.963480 0.481740 0.453900 O\n0.518260 0.481740 0.453900 O\n0.481740 0.963480 0.953900 O\n0.833011 0.166989 0.174840 O\n0.666022 0.833011 0.674840 O\n0.166989 0.333978 0.674840 O\n0.166989 0.833011 0.674840 O\n0.333978 0.166989 0.174840 O\n0.833011 0.666022 0.174840 O\n",
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{
"id": "mp-26707",
"created_at": "2022-09-04T14:43:51.566132Z",
"structure_string": "Li2 V6 P12 O40\n1.0\n5.134645 -6.674756 0.000000\n5.134645 6.674756 0.000000\n0.000000 0.000000 12.286812\nLi V P O\n2 6 12 40\ndirect\n0.415949 0.415949 0.250000 Li\n0.584051 0.584051 0.750000 Li\n0.127260 0.127260 0.250000 V\n0.236464 0.763536 0.500000 V\n0.301572 0.698428 0.000000 V\n0.698428 0.301572 0.500000 V\n0.763536 0.236464 0.000000 V\n0.872740 0.872740 0.750000 V\n0.087795 0.372826 0.564686 P\n0.372826 0.087795 0.935314 P\n0.183641 0.300123 0.030363 P\n0.300123 0.183641 0.469637 P\n0.735388 0.149687 0.264250 P\n0.149687 0.735388 0.235750 P\n0.264612 0.850313 0.764250 P\n0.850313 0.264612 0.735750 P\n0.699877 0.816359 0.969637 P\n0.816359 0.699877 0.530363 P\n0.912205 0.627174 0.064686 P\n0.627174 0.912205 0.435314 P\n0.000456 0.261668 0.046734 O\n0.261668 0.000456 0.453266 O\n0.162160 0.215869 0.552773 O\n0.215869 0.162160 0.947227 O\n0.033301 0.361282 0.690211 O\n0.361282 0.033301 0.809789 O\n0.275373 0.262714 0.356668 O\n0.262714 0.275373 0.143332 O\n0.060141 0.659330 0.990848 O\n0.659330 0.060141 0.509152 O\n0.461671 0.273778 0.520059 O\n0.273778 0.461671 0.979941 O\n0.527611 0.221975 0.951802 O\n0.221975 0.527611 0.548198 O\n0.148735 0.686635 0.354222 O\n0.686635 0.148735 0.145778 O\n0.081338 0.846676 0.782246 O\n0.846676 0.081338 0.717754 O\n0.678877 0.276236 0.331994 O\n0.276236 0.678877 0.168006 O\n0.321123 0.723764 0.831994 O\n0.723764 0.321123 0.668006 O\n0.918662 0.153324 0.282246 O\n0.153324 0.918662 0.217754 O\n0.851265 0.313365 0.854222 O\n0.313365 0.851265 0.645778 O\n0.472389 0.778025 0.451802 O\n0.778025 0.472389 0.048198 O\n0.538329 0.726222 0.020059 O\n0.726222 0.538329 0.479941 O\n0.340670 0.939859 0.009152 O\n0.939859 0.340670 0.490848 O\n0.724627 0.737286 0.856668 O\n0.737286 0.724627 0.643332 O\n0.638718 0.966699 0.309789 O\n0.966699 0.638718 0.190211 O\n0.837840 0.784131 0.052773 O\n0.784131 0.837840 0.447227 O\n0.738332 0.999544 0.953266 O\n0.999544 0.738332 0.546734 O\n",
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{
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"structure_string": "Dy4 Mn2 Co2 O12\n1.0\n5.655049 0.000000 0.000000\n0.000000 4.285660 0.000000\n0.000000 3.373473 9.622015\nDy Mn Co O\n4 2 2 12\ndirect\n0.410020 0.188052 0.758185 Dy\n0.910020 0.811948 0.741815 Dy\n0.589980 0.811948 0.241815 Dy\n0.089980 0.188052 0.258185 Dy\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.221706 0.736745 0.920980 O\n0.721706 0.263255 0.579020 O\n0.820427 0.865580 0.416206 O\n0.320427 0.134420 0.083794 O\n0.778294 0.263255 0.079020 O\n0.278294 0.736745 0.420980 O\n0.179573 0.134420 0.583794 O\n0.679573 0.865580 0.916206 O\n0.022494 0.283150 0.806013 O\n0.522494 0.716850 0.693987 O\n0.977506 0.716850 0.193987 O\n0.477506 0.283150 0.306013 O\n",
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"formula_full": "Dy4 Mn2 Co2 O12",
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},
{
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"created_at": "2022-09-04T14:40:07.996988Z",
"structure_string": "Li4 V5 Co3 O16\n1.0\n2.964652 5.120900 0.000000\n-2.964652 5.120900 0.000000\n0.000000 0.162985 9.576138\nLi V Co O\n4 5 3 16\ndirect\n0.338326 0.338326 0.098688 Li\n0.999500 0.999500 0.006316 Li\n0.999532 0.999532 0.512760 Li\n0.666983 0.666983 0.599782 Li\n0.841520 0.353401 0.280308 V\n0.353221 0.353221 0.511912 V\n0.178933 0.178933 0.770608 V\n0.662083 0.662083 0.998482 V\n0.353401 0.841520 0.280308 V\n0.655282 0.164543 0.789679 Co\n0.164543 0.655282 0.789679 Co\n0.830344 0.830344 0.292497 Co\n0.653214 0.180293 0.410183 O\n0.477091 0.477091 0.643993 O\n0.316154 0.316154 0.895113 O\n0.008533 0.008533 0.704788 O\n0.005609 0.005609 0.197523 O\n0.180293 0.653214 0.410183 O\n0.466789 0.039298 0.645107 O\n0.039298 0.466789 0.645107 O\n0.823285 0.823285 0.919861 O\n0.168091 0.168091 0.397484 O\n0.960864 0.508258 0.155302 O\n0.508258 0.960864 0.155302 O\n0.653422 0.653422 0.396751 O\n0.823092 0.354881 0.912187 O\n0.523235 0.523235 0.160701 O\n0.354881 0.823092 0.912187 O\n",
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],
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"density": 4.084825690780318,
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"volume": 290.7638485915274,
"volume_molar": 6.253645800491092,
"formula_full": "Li4 V5 Co3 O16",
"formula_reduced": "Li4V5Co3O16",
"formula_anonymous": "A3B4C5D16",
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"spacegroup": 8
},
{
"id": "mp-1209558",
"created_at": "2022-09-04T14:48:14.149596Z",
"structure_string": "Rb2 Eu2 W4 O16\n1.0\n5.436030 5.478668 0.000000\n-5.436030 5.478668 0.000000\n0.000000 4.836758 5.809714\nRb Eu W O\n2 2 4 16\ndirect\n0.199896 0.800104 0.750000 Rb\n0.800104 0.199896 0.250000 Rb\n0.774181 0.225819 0.750000 Eu\n0.225819 0.774181 0.250000 Eu\n0.698297 0.688070 0.778777 W\n0.301703 0.311930 0.221223 W\n0.311930 0.301703 0.721223 W\n0.688070 0.698297 0.278777 W\n0.621460 0.752548 0.559081 O\n0.378540 0.247452 0.440919 O\n0.247452 0.378540 0.940919 O\n0.752548 0.621460 0.059081 O\n0.380640 0.068684 0.866786 O\n0.619360 0.931316 0.133214 O\n0.931316 0.619360 0.633214 O\n0.068684 0.380640 0.366786 O\n0.584769 0.371257 0.972044 O\n0.415231 0.628743 0.027956 O\n0.628743 0.415231 0.527956 O\n0.371257 0.584769 0.472044 O\n0.787994 0.948505 0.690299 O\n0.212006 0.051495 0.309701 O\n0.051495 0.212006 0.809701 O\n0.948505 0.787994 0.190299 O\n",
"nsites": 24,
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"elements": [
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"O"
],
"chemical_system": "Eu-O-Rb-W",
"density": 7.035660615690166,
"density_atomic": 0.06935370457286567,
"volume": 346.05217050496094,
"volume_molar": 8.68322867118498,
"formula_full": "Rb2 Eu2 W4 O16",
"formula_reduced": "RbEu(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -212.96406098,
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"updated_at": "2021-11-28T01:38:46.729000Z",
"spacegroup": 15
},
{
"id": "mp-778070",
"created_at": "2022-09-04T14:39:15.959840Z",
"structure_string": "Li4 Mn2 V2 P4 H4 O20\n1.0\n6.956336 0.000000 0.000000\n-3.422622 6.577497 0.000000\n-0.321251 -0.436866 8.033781\nLi Mn V P H O\n4 2 2 4 4 20\ndirect\n0.072818 0.822868 0.675921 Li\n0.428569 0.173313 0.825476 Li\n0.571431 0.826687 0.174524 Li\n0.927182 0.177132 0.324079 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.478426 0.766323 0.843855 P\n0.022603 0.232064 0.658473 P\n0.977397 0.767936 0.341527 P\n0.521574 0.233677 0.156145 P\n0.789143 0.660546 0.848019 H\n0.289874 0.669879 0.351801 H\n0.710126 0.330121 0.648199 H\n0.210857 0.339454 0.151981 H\n0.324184 0.656615 0.982202 O\n0.113953 0.120167 0.773709 O\n0.381786 0.875504 0.732753 O\n0.687784 0.927229 0.942597 O\n0.181969 0.925280 0.443696 O\n0.535669 0.618447 0.741325 O\n0.183292 0.342598 0.521029 O\n0.031808 0.618908 0.239284 O\n0.942005 0.724520 0.896048 O\n0.444232 0.737078 0.395091 O\n0.555768 0.262922 0.604909 O\n0.057995 0.275480 0.103952 O\n0.968192 0.381092 0.760716 O\n0.816708 0.657402 0.478971 O\n0.464331 0.381553 0.258675 O\n0.818031 0.074720 0.556304 O\n0.312216 0.072771 0.057403 O\n0.618214 0.124496 0.267247 O\n0.886047 0.879833 0.226291 O\n0.675816 0.343385 0.017798 O\n",
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"elements": [
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"density_atomic": 0.09793576104942878,
"volume": 367.5878924536113,
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"formula_full": "Li4 Mn2 V2 P4 H4 O20",
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]
}