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{
"id": "mp-753253",
"created_at": "2022-09-04T14:41:14.691109Z",
"structure_string": "Li2 Mn4 F14\n1.0\n-5.613397 0.000000 0.000000\n-0.415667 -6.729896 0.000000\n1.608865 2.721013 7.777342\nLi Mn F\n2 4 14\ndirect\n0.128374 0.019681 0.754372 Li\n0.871626 0.980319 0.245628 Li\n0.719491 0.718232 0.818499 Mn\n0.206471 0.477733 0.671762 Mn\n0.793529 0.522267 0.328238 Mn\n0.280509 0.281768 0.181501 Mn\n0.332232 0.176253 0.960214 F\n0.069604 0.587074 0.869959 F\n0.841906 0.964945 0.822042 F\n0.566099 0.456091 0.776548 F\n0.103265 0.209365 0.627318 F\n0.315708 0.751197 0.696854 F\n0.797929 0.592586 0.577975 F\n0.202071 0.407414 0.422025 F\n0.684292 0.248803 0.303146 F\n0.896735 0.790635 0.372682 F\n0.433901 0.543909 0.223452 F\n0.158094 0.035055 0.177958 F\n0.930396 0.412926 0.130041 F\n0.667768 0.823747 0.039786 F\n",
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{
"id": "mp-1213439",
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"structure_string": "Eu8 Pd2 O14\n1.0\n6.555652 0.021788 2.142478\n-0.023767 6.768821 2.488064\n-0.036330 -0.095159 7.974080\nEu Pd O\n8 2 14\ndirect\n0.784258 0.382994 0.209255 Eu\n0.215742 0.617006 0.790745 Eu\n0.357299 0.147725 0.139517 Eu\n0.642701 0.852275 0.860483 Eu\n0.207328 0.605223 0.278383 Eu\n0.792672 0.394777 0.721617 Eu\n0.339387 0.168863 0.619553 Eu\n0.660613 0.831137 0.380447 Eu\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.706128 0.079412 0.511765 O\n0.293872 0.920588 0.488235 O\n0.143800 0.417695 0.100864 O\n0.856200 0.582305 0.899136 O\n0.526293 0.755964 0.177334 O\n0.473707 0.244036 0.822666 O\n0.432653 0.332822 0.303607 O\n0.567347 0.667178 0.696393 O\n0.051444 0.933326 0.256428 O\n0.948556 0.066674 0.743572 O\n0.732834 0.134771 0.083096 O\n0.267166 0.865229 0.916904 O\n0.155000 0.460761 0.601346 O\n0.845000 0.539239 0.398654 O\n",
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"volume": 355.9280964359011,
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"formula_full": "Eu8 Pd2 O14",
"formula_reduced": "Eu4PdO7",
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"energy": -228.05853493,
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},
{
"id": "mp-613677",
"created_at": "2022-09-04T14:41:16.013685Z",
"structure_string": "Gd4 Mn4 Ge4\n1.0\n3.883324 0.000000 0.000000\n0.000000 7.035758 0.000000\n0.000000 0.000000 8.062189\nGd Mn Ge\n4 4 4\ndirect\n0.250000 0.522487 0.678979 Gd\n0.250000 0.022487 0.821021 Gd\n0.750000 0.477513 0.321021 Gd\n0.750000 0.977513 0.178979 Gd\n0.750000 0.879087 0.556218 Mn\n0.750000 0.379087 0.943782 Mn\n0.250000 0.620913 0.056218 Mn\n0.250000 0.120913 0.443782 Mn\n0.750000 0.720371 0.889671 Ge\n0.250000 0.279629 0.110329 Ge\n0.750000 0.220371 0.610329 Ge\n0.250000 0.779629 0.389671 Ge\n",
"nsites": 12,
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"density": 8.588638881562437,
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"volume": 220.27615900868375,
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"formula_full": "Gd4 Mn4 Ge4",
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"formula_anonymous": "ABC",
"energy": -116.18922197,
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"updated_at": "2021-11-28T01:35:18.037000Z",
"spacegroup": 62
},
{
"id": "mp-772528",
"created_at": "2022-09-04T14:41:14.692167Z",
"structure_string": "Mn4 Zn4 O12\n1.0\n5.188248 0.000000 0.000000\n0.000000 7.405507 0.000000\n0.000000 0.000000 5.077817\nMn Zn O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.048148 0.250000 0.991164 Zn\n0.451852 0.750000 0.491164 Zn\n0.548148 0.250000 0.508836 Zn\n0.951852 0.750000 0.008836 Zn\n0.062070 0.750000 0.620070 O\n0.189492 0.564430 0.184818 O\n0.189492 0.935570 0.184818 O\n0.310508 0.064430 0.684818 O\n0.310508 0.435570 0.684818 O\n0.437930 0.250000 0.120070 O\n0.562070 0.750000 0.879930 O\n0.689492 0.935570 0.315182 O\n0.689492 0.564430 0.315182 O\n0.810508 0.064430 0.815182 O\n0.810508 0.435570 0.815182 O\n0.937930 0.250000 0.379930 O\n",
"nsites": 20,
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"O"
],
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"density": 5.731355844333344,
"density_atomic": 0.10251264195835083,
"volume": 195.097888591396,
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"formula_full": "Mn4 Zn4 O12",
"formula_reduced": "MnZnO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:23.839000Z",
"spacegroup": 62
},
{
"id": "mp-1023394",
"created_at": "2022-09-04T14:41:16.037240Z",
"structure_string": "Mg12 Al2 V2\n1.0\n4.945600 0.000000 0.000000\n0.000000 6.199256 0.000000\n0.000000 0.000000 10.726383\nMg Al V\n12 2 2\ndirect\n0.000000 0.257793 0.085940 Mg\n0.000000 0.742207 0.085940 Mg\n0.000000 0.500000 0.833274 Mg\n0.500000 0.245029 0.916238 Mg\n0.500000 0.754971 0.916238 Mg\n0.500000 0.500000 0.666058 Mg\n0.000000 0.757793 0.585940 Mg\n0.000000 0.242207 0.585940 Mg\n0.000000 0.000000 0.333274 Mg\n0.500000 0.745029 0.416238 Mg\n0.500000 0.254971 0.416238 Mg\n0.500000 0.000000 0.166058 Mg\n0.000000 0.500000 0.323044 Al\n0.000000 0.000000 0.823044 Al\n0.500000 0.500000 0.173270 V\n0.500000 0.000000 0.673270 V\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Al-Mg-V",
"density": 2.2596239863711207,
"density_atomic": 0.04865283189160415,
"volume": 328.860610532335,
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"formula_full": "Mg12 Al2 V2",
"formula_reduced": "Mg6AlV",
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"updated_at": "2021-11-28T01:35:26.054000Z",
"spacegroup": 38
},
{
"id": "mp-1182851",
"created_at": "2022-09-04T14:41:15.105256Z",
"structure_string": "Co12 P8 O36\n1.0\n8.816515 0.000000 -6.258336\n0.000000 8.514754 0.000000\n-1.065261 0.000000 12.993159\nCo P O\n12 8 36\ndirect\n0.265304 0.486791 0.568778 Co\n0.734696 0.986791 0.931222 Co\n0.734696 0.513209 0.431222 Co\n0.265304 0.013209 0.068778 Co\n0.090075 0.351914 0.684371 Co\n0.909925 0.851914 0.815629 Co\n0.909925 0.648086 0.315629 Co\n0.090075 0.148086 0.184371 Co\n0.608937 0.236409 0.583652 Co\n0.391063 0.736409 0.916348 Co\n0.391063 0.763591 0.416348 Co\n0.608937 0.263591 0.083652 Co\n0.133294 0.007805 0.778454 P\n0.866706 0.507805 0.721546 P\n0.866706 0.992195 0.221546 P\n0.133294 0.492195 0.278454 P\n0.479384 0.461259 0.824200 P\n0.520616 0.961259 0.675800 P\n0.520616 0.538741 0.175800 P\n0.479384 0.038741 0.324200 P\n0.123262 0.137133 0.689484 O\n0.876738 0.637133 0.810516 O\n0.876738 0.862867 0.310516 O\n0.123262 0.362867 0.189484 O\n0.786987 0.357707 0.720153 O\n0.213013 0.857707 0.779847 O\n0.213013 0.642293 0.279847 O\n0.786987 0.142293 0.220153 O\n0.041134 0.471935 0.777266 O\n0.958866 0.971935 0.722734 O\n0.958866 0.528065 0.222734 O\n0.041134 0.028065 0.277266 O\n0.244637 0.079316 0.924780 O\n0.755363 0.579316 0.575220 O\n0.755363 0.920684 0.075220 O\n0.244637 0.420684 0.424780 O\n0.474556 0.118200 0.602226 O\n0.525444 0.618200 0.897774 O\n0.525444 0.881800 0.397774 O\n0.474556 0.381800 0.102226 O\n0.282464 0.449592 0.724175 O\n0.717536 0.949592 0.775825 O\n0.717536 0.550408 0.275825 O\n0.282464 0.050408 0.224175 O\n0.490811 0.461112 0.710330 O\n0.509189 0.961112 0.789670 O\n0.509189 0.538888 0.289670 O\n0.490811 0.038888 0.210330 O\n0.561935 0.321272 0.917861 O\n0.438065 0.821272 0.582139 O\n0.438065 0.678728 0.082139 O\n0.561935 0.178728 0.417861 O\n0.911266 0.095345 0.020518 O\n0.088734 0.595345 0.479482 O\n0.088734 0.904655 0.979482 O\n0.911266 0.404655 0.520518 O\n",
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{
"id": "mp-1047822",
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"structure_string": "Zn2 Mo8 O18\n1.0\n8.805655 0.000000 0.000000\n0.000000 8.805655 0.000000\n0.000000 0.000000 4.986397\nZn Mo O\n2 8 18\ndirect\n0.500000 0.000000 0.100119 Zn\n0.000000 0.500000 0.899881 Zn\n0.596988 0.289285 0.660873 Mo\n0.710715 0.596988 0.339127 Mo\n0.210715 0.096988 0.660873 Mo\n0.096988 0.789285 0.339127 Mo\n0.403012 0.710715 0.660873 Mo\n0.789285 0.903012 0.660873 Mo\n0.903012 0.210715 0.339127 Mo\n0.289285 0.403012 0.339127 Mo\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.226028 0.450286 0.999447 O\n0.950286 0.273972 0.999447 O\n0.049714 0.726028 0.999447 O\n0.773972 0.549714 0.999447 O\n0.273972 0.049714 0.000553 O\n0.549714 0.226028 0.000553 O\n0.450286 0.773972 0.000553 O\n0.726028 0.950286 0.000553 O\n0.610165 0.792899 0.493995 O\n0.292899 0.889835 0.493995 O\n0.707101 0.110165 0.493995 O\n0.389835 0.207101 0.493995 O\n0.110165 0.292899 0.506005 O\n0.207101 0.610165 0.506005 O\n0.792899 0.389835 0.506005 O\n0.889835 0.707101 0.506005 O\n",
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{
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"structure_string": "Li8 V1 Ni3 P6 O24\n1.0\n7.323913 -4.396895 0.000000\n7.323913 4.396895 0.000000\n4.684247 0.000000 7.143544\nLi V Ni P O\n8 1 3 6 24\ndirect\n0.291247 0.843565 0.643496 Li\n0.843565 0.643496 0.291247 Li\n0.643496 0.291247 0.843565 Li\n0.499541 0.499541 0.499541 Li\n0.982064 0.982064 0.982064 Li\n0.356143 0.697748 0.158702 Li\n0.158702 0.356143 0.697748 Li\n0.697748 0.158702 0.356143 Li\n0.144029 0.144029 0.144029 V\n0.647401 0.647401 0.647401 Ni\n0.853490 0.853490 0.853490 Ni\n0.354077 0.354077 0.354077 Ni\n0.546376 0.955239 0.251786 P\n0.251786 0.546376 0.955239 P\n0.955239 0.251786 0.546376 P\n0.047126 0.753873 0.452821 P\n0.753873 0.452821 0.047126 P\n0.452821 0.047126 0.753873 P\n0.292604 0.531733 0.118375 O\n0.118375 0.292604 0.531733 O\n0.531733 0.118375 0.292604 O\n0.175019 0.386024 0.016662 O\n0.016662 0.175019 0.386024 O\n0.745600 0.897063 0.114657 O\n0.386024 0.016662 0.175019 O\n0.522497 0.779499 0.427956 O\n0.114657 0.745600 0.897063 O\n0.427956 0.522497 0.779499 O\n0.003579 0.829177 0.601312 O\n0.106471 0.895249 0.247122 O\n0.779499 0.427956 0.522497 O\n0.829177 0.601312 0.003579 O\n0.897063 0.114657 0.745600 O\n0.226033 0.577804 0.460641 O\n0.577804 0.460641 0.226033 O\n0.895249 0.247122 0.106471 O\n0.460641 0.226033 0.577804 O\n0.601312 0.003579 0.829177 O\n0.247122 0.106471 0.895249 O\n0.462353 0.881468 0.718506 O\n0.881468 0.718506 0.462353 O\n0.718506 0.462353 0.881468 O\n",
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{
"id": "mp-1068985",
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"structure_string": "Sn1 C1 Cl3\n1.0\n3.826492 -3.214435 0.000000\n3.826492 3.214435 0.000000\n1.126214 0.000000 4.868909\nSn C Cl\n1 1 3\ndirect\n0.498280 0.498280 0.498280 Sn\n0.929884 0.929884 0.929884 C\n0.542067 0.999384 0.999384 Cl\n0.999384 0.999384 0.542067 Cl\n0.999384 0.542067 0.999384 Cl\n",
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{
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"density_atomic": 0.06549218054915648,
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"formula_full": "Mg10 Si16 O60",
"formula_reduced": "Mg5(Si4O15)2",
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"updated_at": "2021-11-28T01:35:18.817000Z",
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{
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"volume": 517.280904161506,
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"formula_full": "Th2 Co3 P3",
"formula_reduced": "Th2(CoP)3",
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{
"id": "mp-1186180",
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"updated_at": "2021-11-28T01:35:25.982000Z",
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]
}