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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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{
"id": "mp-776731",
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"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n6.712749 0.000000 0.000000\n-0.012708 8.722325 0.000000\n-0.103088 -0.425418 10.161391\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.257201 0.086403 0.121204 Na\n0.997613 0.259399 0.370991 Na\n0.000617 0.257323 0.876824 Na\n0.501295 0.255593 0.871842 Na\n0.499850 0.745731 0.123777 Na\n0.502128 0.739725 0.627646 Na\n0.240175 0.092848 0.618395 Li\n0.464095 0.289539 0.388522 Li\n0.972901 0.720147 0.117110 Li\n0.983201 0.723147 0.624827 Li\n0.760340 0.900456 0.378646 Li\n0.766898 0.897438 0.875605 Li\n0.744248 0.358312 0.117490 Fe\n0.749273 0.347543 0.608443 Fe\n0.242342 0.661156 0.391318 Fe\n0.242357 0.647172 0.888395 Fe\n0.246574 0.419635 0.148412 P\n0.243764 0.410059 0.642396 P\n0.746678 0.594872 0.358205 P\n0.753124 0.591381 0.857903 P\n0.760283 0.043576 0.134899 C\n0.762489 0.040844 0.636620 C\n0.262861 0.961546 0.369508 C\n0.245083 0.938245 0.848126 C\n0.283596 0.106098 0.348783 O\n0.249162 0.081674 0.820123 O\n0.753769 0.069200 0.010437 O\n0.761725 0.072981 0.513254 O\n0.744966 0.158642 0.221200 O\n0.746623 0.153308 0.725672 O\n0.062970 0.316117 0.113582 O\n0.430910 0.329710 0.096167 O\n0.063338 0.303695 0.604754 O\n0.430265 0.317693 0.593821 O\n0.266623 0.442445 0.301773 O\n0.728076 0.432298 0.414298 O\n0.253626 0.434047 0.795514 O\n0.749624 0.435047 0.924113 O\n0.227304 0.579756 0.088498 O\n0.771288 0.575618 0.205528 O\n0.229626 0.568834 0.581043 O\n0.779545 0.563246 0.705986 O\n0.561914 0.697006 0.389309 O\n0.926665 0.688981 0.417109 O\n0.562164 0.688068 0.883980 O\n0.926497 0.695063 0.914036 O\n0.244972 0.861741 0.270035 O\n0.225845 0.832693 0.754079 O\n0.256453 0.912221 0.488111 O\n0.259417 0.894378 0.968281 O\n0.780234 0.905810 0.178014 O\n0.777411 0.901538 0.675395 O\n",
"nsites": 52,
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"elements": [
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"P",
"C",
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],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.854896400460166,
"density_atomic": 0.08740122253640613,
"volume": 594.9573528944621,
"volume_molar": 6.890224856398932,
"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
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"spacegroup": 1
},
{
"id": "mp-1008224",
"created_at": "2022-09-04T14:39:08.010783Z",
"structure_string": "Cr1 Co2 Si1\n1.0\n0.000000 2.817766 2.817766\n2.817766 0.000000 2.817766\n2.817766 2.817766 0.000000\nCr Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Si\n",
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"density": 7.346076125461993,
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"volume": 44.74502645169284,
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"formula_full": "Cr1 Co2 Si1",
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{
"id": "mp-17165",
"created_at": "2022-09-04T14:39:07.160298Z",
"structure_string": "Cs4 Na2 Cr2 C12 N12\n1.0\n8.028681 0.000000 0.000000\n0.000000 7.697625 0.000000\n0.000000 7.673327 11.117054\nCs Na Cr C N\n4 2 2 12 12\ndirect\n0.555472 0.736465 0.249657 Cs\n0.055472 0.263535 0.250343 Cs\n0.444528 0.263535 0.750343 Cs\n0.944528 0.736465 0.749657 Cs\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.144073 0.240877 0.974863 C\n0.355927 0.240877 0.474863 C\n0.855927 0.759123 0.025137 C\n0.644073 0.759123 0.525137 C\n0.289875 0.826820 0.529656 C\n0.789875 0.173180 0.970344 C\n0.710125 0.173180 0.470344 C\n0.210125 0.826820 0.029656 C\n0.012588 0.125814 0.820446 C\n0.512588 0.874186 0.679554 C\n0.987412 0.874186 0.179554 C\n0.487412 0.125814 0.320446 C\n0.022043 0.199003 0.716926 N\n0.522043 0.800997 0.783074 N\n0.977957 0.800997 0.283074 N\n0.477957 0.199003 0.216926 N\n0.169363 0.725860 0.547654 N\n0.330637 0.725860 0.047654 N\n0.830637 0.274140 0.452346 N\n0.669363 0.274140 0.952346 N\n0.228515 0.378659 0.960144 N\n0.728515 0.621341 0.539856 N\n0.771485 0.621341 0.039856 N\n0.271485 0.378659 0.460144 N\n",
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"elements": [
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],
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"formula_full": "Cs4 Na2 Cr2 C12 N12",
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{
"id": "mp-561583",
"created_at": "2022-09-04T14:39:07.278158Z",
"structure_string": "Co14 As4 O24\n1.0\n5.644238 -0.002600 -1.656734\n-1.022142 7.642202 -3.487520\n0.009290 -0.007881 10.522428\nCo As O\n14 4 24\ndirect\n0.427149 0.797782 0.854758 Co\n0.156286 0.155557 0.817768 Co\n0.660880 0.155729 0.817647 Co\n0.837452 0.825862 0.675203 Co\n0.339120 0.844271 0.182353 Co\n0.162548 0.174138 0.324797 Co\n0.572851 0.202218 0.145242 Co\n0.663596 0.649399 0.328957 Co\n0.500000 0.000000 0.500000 Co\n0.843714 0.844443 0.182232 Co\n0.336404 0.350601 0.671043 Co\n0.073555 0.447531 0.147705 Co\n0.926445 0.552469 0.852295 Co\n0.000000 0.000000 0.500000 Co\n0.749687 0.373861 0.498994 As\n0.250313 0.626139 0.501006 As\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n0.702296 0.921928 0.849284 O\n0.495620 0.744032 0.502031 O\n0.005871 0.743857 0.502013 O\n0.509805 0.733162 0.019739 O\n0.645541 0.425387 0.848586 O\n0.991063 0.213407 0.982546 O\n0.504380 0.255968 0.497969 O\n0.203118 0.425017 0.848384 O\n0.147098 0.922394 0.849629 O\n0.171158 0.946222 0.342022 O\n0.671275 0.893341 0.341933 O\n0.354459 0.574613 0.151414 O\n0.297704 0.078072 0.150716 O\n0.490195 0.266838 0.980261 O\n0.829358 0.569179 0.658593 O\n0.329085 0.589353 0.658502 O\n0.994129 0.256143 0.497987 O\n0.170642 0.430821 0.341407 O\n0.670915 0.410647 0.341498 O\n0.852902 0.077606 0.150371 O\n0.828842 0.053778 0.657978 O\n0.008937 0.786593 0.017454 O\n0.796882 0.574983 0.151616 O\n0.328725 0.106659 0.658067 O\n",
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{
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"structure_string": "Cr2 Ga4 N6\n1.0\n5.581352 -0.018158 0.000000\n-2.805184 4.860132 0.000000\n0.000000 0.000000 5.210481\nCr Ga N\n2 4 6\ndirect\n0.000000 0.652873 0.491702 Cr\n0.000000 0.347127 0.991702 Cr\n0.336336 0.330486 0.494906 Ga\n0.663664 0.994150 0.494906 Ga\n0.663664 0.669514 0.994906 Ga\n0.336336 0.005850 0.994906 Ga\n0.332997 0.333952 0.871515 N\n0.667003 0.000955 0.871515 N\n0.667003 0.666048 0.371515 N\n0.332997 0.999045 0.371515 N\n0.000000 0.673991 0.863456 N\n0.000000 0.326009 0.363456 N\n",
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"formula_full": "Cr2 Ga4 N6",
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{
"id": "mp-1443713",
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"structure_string": "K4 Mo8 O26\n1.0\n8.248811 0.000000 0.000000\n-2.849143 8.044143 0.000000\n-2.342126 -4.101776 9.190008\nK Mo O\n4 8 26\ndirect\n0.310890 0.351393 0.430333 K\n0.689110 0.648607 0.569667 K\n0.375525 0.925897 0.309432 K\n0.624475 0.074103 0.690568 K\n0.765032 0.455908 0.050941 Mo\n0.234968 0.544092 0.949059 Mo\n0.769255 0.846074 0.062043 Mo\n0.230745 0.153926 0.937957 Mo\n0.047986 0.875165 0.731044 Mo\n0.952014 0.124835 0.268956 Mo\n0.065189 0.493531 0.709858 Mo\n0.934811 0.506469 0.290142 Mo\n0.694647 0.978121 0.962022 O\n0.305353 0.021879 0.037978 O\n0.068076 0.979854 0.882938 O\n0.931924 0.020146 0.117062 O\n0.286267 0.007062 0.611230 O\n0.713733 0.992938 0.388770 O\n0.768932 0.689954 0.945875 O\n0.231068 0.310046 0.054125 O\n0.534586 0.326821 0.183260 O\n0.465414 0.673179 0.816740 O\n0.295678 0.615172 0.570820 O\n0.704322 0.384828 0.429180 O\n0.978135 0.682431 0.664322 O\n0.021865 0.317569 0.335678 O\n0.877992 0.639414 0.145262 O\n0.122008 0.360586 0.854738 O\n0.775012 0.376150 0.909483 O\n0.224988 0.623850 0.090517 O\n0.952419 0.339050 0.647210 O\n0.047581 0.660950 0.352790 O\n0.932509 0.984995 0.658800 O\n0.067491 0.015005 0.341200 O\n0.098428 0.649851 0.864253 O\n0.901572 0.350149 0.135747 O\n0.570512 0.716270 0.227790 O\n0.429488 0.283730 0.772210 O\n",
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"volume": 609.7994451128341,
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"formula_full": "K4 Mo8 O26",
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{
"id": "mp-984779",
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"structure_string": "Ce1 Dy3\n1.0\n-2.498780 2.498780 4.986795\n2.498780 -2.498780 4.986795\n2.498780 2.498780 -4.986795\nCe Dy\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Dy\n0.250000 0.750000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n",
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{
"id": "mp-1233269",
"created_at": "2022-09-04T14:39:05.494613Z",
"structure_string": "Mg1 Cu1 P4 Ru2 O14\n1.0\n4.982862 -0.118641 0.274295\n-1.985673 -6.512673 0.312995\n-0.156315 0.235110 -8.566573\nMg Cu P Ru O\n1 1 4 2 14\ndirect\n0.903921 0.884155 0.648606 Mg\n0.025013 0.159412 0.383922 Cu\n0.381190 0.723795 0.835119 P\n0.600401 0.261655 0.188680 P\n0.993257 0.663178 0.292603 P\n0.004501 0.328702 0.724360 P\n0.499140 0.493357 0.508654 Ru\n0.990646 0.992110 0.011229 Ru\n0.108102 0.843899 0.199920 O\n0.879287 0.132945 0.803358 O\n0.499913 0.741313 0.671726 O\n0.500887 0.247214 0.355129 O\n0.231282 0.484815 0.848525 O\n0.758884 0.498126 0.173881 O\n0.149428 0.837241 0.830714 O\n0.823538 0.137673 0.181917 O\n0.207570 0.556531 0.347931 O\n0.801776 0.441950 0.667145 O\n0.599128 0.785413 0.972472 O\n0.376968 0.201715 0.052095 O\n0.178756 0.256328 0.596058 O\n0.833633 0.726623 0.432517 O\n",
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{
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"formula_full": "Ho2 Pu6",
"formula_reduced": "HoPu3",
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{
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"formula_full": "Ba2 Eu1 Bi1 O6",
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{
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"chemical_system": "Ag-Br-S",
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"volume": 7332.202593154079,
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"formula_full": "Ag12 S1 Br1",
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}