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{
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"results": [
{
"id": "mp-1173817",
"created_at": "2022-09-04T14:39:14.352461Z",
"structure_string": "Na1 Al1 H22 C10 N2 O12\n1.0\n7.336928 -0.216970 5.760749\n2.729349 7.010462 5.507747\n0.144279 -0.309367 9.804012\nNa Al H C N O\n1 1 22 10 2 12\ndirect\n0.028253 0.972090 0.026102 Na\n0.485168 0.521380 0.494624 Al\n0.186736 0.272848 0.153296 H\n0.333935 0.228988 0.391099 H\n0.189443 0.332965 0.844801 H\n0.363762 0.784329 0.190608 H\n0.773526 0.190746 0.354913 H\n0.159800 0.825257 0.669618 H\n0.624831 0.314491 0.809221 H\n0.839647 0.646334 0.209761 H\n0.944359 0.407286 0.700157 H\n0.619804 0.836793 0.889847 H\n0.826537 0.804548 0.467000 H\n0.821561 0.451744 0.897092 H\n0.267026 0.054601 0.326688 H\n0.026330 0.233040 0.534923 H\n0.944042 0.595747 0.684150 H\n0.209606 0.446627 0.263310 H\n0.541996 0.623740 0.837404 H\n0.706065 0.941613 0.918598 H\n0.452014 0.313736 0.147886 H\n0.570745 0.881725 0.553881 H\n0.817067 0.922141 0.697768 H\n0.854066 0.719775 0.890138 H\n0.234342 0.204554 0.259750 C\n0.308701 0.302273 0.268096 C\n0.231669 0.750422 0.315330 C\n0.298231 0.244477 0.753688 C\n0.747195 0.314861 0.238014 C\n0.235802 0.714871 0.758880 C\n0.709936 0.768323 0.249993 C\n0.746869 0.322338 0.669593 C\n0.683747 0.629543 0.718159 C\n0.749495 0.855005 0.848462 C\n0.693356 0.787535 0.571814 N\n0.857197 0.518609 0.750082 N\n0.079818 0.814400 0.300340 O\n0.267047 0.111049 0.789264 O\n0.247145 0.644970 0.468527 O\n0.450529 0.290994 0.615619 O\n0.824679 0.292575 0.087060 O\n0.640075 0.471815 0.265541 O\n0.350720 0.560440 0.721699 O\n0.205451 0.743270 0.885497 O\n0.542369 0.742110 0.364187 O\n0.729721 0.384373 0.527266 O\n0.732210 0.917611 0.185838 O\n0.925780 0.234435 0.664318 O\n",
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],
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"volume": 511.71576300579216,
"volume_molar": 6.420050737357669,
"formula_full": "Na1 Al1 H22 C10 N2 O12",
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"updated_at": "2021-11-28T01:34:43.349000Z",
"spacegroup": 1
},
{
"id": "mp-765010",
"created_at": "2022-09-04T14:39:14.697124Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n-9.756410 0.000000 0.000000\n4.865633 8.473686 0.000000\n-0.005816 -0.087140 -14.231384\nLi V P O\n6 6 16 58\ndirect\n0.307553 0.083794 0.944082 Li\n0.914395 0.222457 0.943790 Li\n0.776869 0.692564 0.942127 Li\n0.902890 0.672221 0.440816 Li\n0.337801 0.666898 0.394003 Li\n0.020178 0.050903 0.493458 Li\n0.000981 0.434720 0.746921 V\n0.999207 0.569043 0.246190 V\n0.430989 0.425234 0.250246 V\n0.560635 0.562731 0.746364 V\n0.437678 0.999426 0.744302 V\n0.572235 0.004140 0.253088 V\n0.314233 0.081313 0.159278 P\n0.305433 0.221978 0.656580 P\n0.778551 0.082181 0.655966 P\n0.667003 0.333265 0.867522 P\n0.669536 0.337268 0.370825 P\n0.913445 0.228812 0.159448 P\n0.088704 0.311251 0.340720 P\n0.765918 0.682833 0.156812 P\n0.228344 0.314364 0.841031 P\n0.911608 0.684548 0.657219 P\n0.088647 0.773061 0.837784 P\n0.331771 0.665341 0.630712 P\n0.337260 0.667369 0.132646 P\n0.220356 0.911862 0.342275 P\n0.689470 0.777058 0.339155 P\n0.685135 0.913417 0.840039 P\n0.198892 0.993620 0.423691 O\n0.346584 0.088233 0.670229 O\n0.239298 0.232535 0.925454 O\n0.339070 0.251554 0.170274 O\n0.474560 0.091815 0.183357 O\n0.520107 0.182310 0.824503 O\n0.617969 0.081939 0.670218 O\n0.767795 0.005925 0.924977 O\n0.743850 0.085090 0.170626 O\n0.522693 0.338479 0.324635 O\n0.464345 0.382386 0.671343 O\n0.665579 0.186723 0.327195 O\n0.667302 0.334978 0.971993 O\n0.669954 0.344072 0.474795 O\n0.818806 0.335747 0.826552 O\n0.617164 0.523609 0.180110 O\n0.662627 0.480116 0.824585 O\n0.912825 0.256669 0.671315 O\n0.011526 0.212873 0.244052 O\n0.007293 0.212059 0.422589 O\n0.987498 0.239945 0.067197 O\n0.903288 0.380246 0.182685 O\n0.819252 0.486765 0.329655 O\n0.084168 0.341205 0.839658 O\n0.908145 0.524834 0.675195 O\n0.741272 0.655049 0.671843 O\n0.202656 0.208169 0.748213 O\n0.216064 0.207035 0.570226 O\n0.794422 0.787084 0.417701 O\n0.264321 0.348730 0.333624 O\n0.096502 0.473551 0.332031 O\n0.911952 0.658050 0.169724 O\n0.184638 0.516567 0.673369 O\n0.095053 0.618771 0.820142 O\n0.992145 0.763895 0.920323 O\n0.979141 0.754383 0.564838 O\n0.012366 0.798602 0.741909 O\n0.080685 0.735052 0.337949 O\n0.342650 0.524119 0.178137 O\n0.381069 0.475255 0.821417 O\n0.182736 0.658334 0.178989 O\n0.333492 0.668358 0.028964 O\n0.330648 0.664793 0.526300 O\n0.330331 0.813462 0.673294 O\n0.525541 0.624537 0.332626 O\n0.481379 0.667654 0.673746 O\n0.258591 0.916928 0.837893 O\n0.199137 0.983466 0.243697 O\n0.249627 0.008178 0.066797 O\n0.375210 0.902764 0.333808 O\n0.477172 0.818186 0.180396 O\n0.524986 0.907206 0.819942 O\n0.657060 0.742176 0.838559 O\n0.760542 0.748410 0.064635 O\n0.782822 0.799709 0.240658 O\n0.655637 0.917375 0.337641 O\n0.795499 0.010038 0.568905 O\n0.791622 0.993367 0.747679 O\n",
"nsites": 86,
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"elements": [
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"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.4993033439544456,
"density_atomic": 0.07309520771430994,
"volume": 1176.547720284591,
"volume_molar": 8.23876277024525,
"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
"formula_anonymous": "A3B3C8D29",
"energy": -656.5950286000001,
"energy_per_atom": -7.634825913953489,
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"updated_at": "2021-11-28T01:34:37.167000Z",
"spacegroup": 1
},
{
"id": "mp-780388",
"created_at": "2022-09-04T14:39:14.565364Z",
"structure_string": "Li2 Mn6 B6 O18\n1.0\n-5.313864 0.000000 0.000000\n-0.324235 -8.191346 0.000000\n2.566208 2.483023 8.510891\nLi Mn B O\n2 6 6 18\ndirect\n0.644207 0.039332 0.627661 Li\n0.312997 0.711742 0.968288 Li\n0.815784 0.030196 0.221339 Mn\n0.871841 0.626166 0.119515 Mn\n0.505025 0.297062 0.437643 Mn\n0.467724 0.688928 0.553168 Mn\n0.141178 0.364725 0.883785 Mn\n0.191733 0.963274 0.779948 Mn\n0.226549 0.138442 0.107844 B\n0.440595 0.528227 0.221899 B\n0.102336 0.171843 0.550612 B\n0.895910 0.814695 0.448180 B\n0.569478 0.481174 0.778517 B\n0.772125 0.868160 0.896602 B\n0.974476 0.145790 0.113503 O\n0.698349 0.838656 0.024449 O\n0.247752 0.581658 0.109541 O\n0.437353 0.124963 0.232386 O\n0.690425 0.510170 0.212581 O\n0.373727 0.483296 0.341766 O\n0.899383 0.195684 0.426932 O\n0.948951 0.823717 0.308470 O\n0.359894 0.169056 0.551506 O\n0.653588 0.835507 0.465307 O\n0.026371 0.146692 0.677185 O\n0.113445 0.800291 0.570824 O\n0.624830 0.474977 0.635948 O\n0.327797 0.512559 0.796754 O\n0.578951 0.907317 0.777438 O\n0.783630 0.469882 0.903673 O\n0.283413 0.151730 0.971552 O\n0.023689 0.839580 0.886720 O\n",
"nsites": 32,
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"elements": [
"Li",
"Mn",
"B",
"O"
],
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"density": 3.1213724372679,
"density_atomic": 0.08637921320530738,
"volume": 370.45949844370466,
"volume_molar": 6.971747642209345,
"formula_full": "Li2 Mn6 B6 O18",
"formula_reduced": "LiMn3(BO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -264.5307886,
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"updated_at": "2021-11-28T01:34:36.394000Z",
"spacegroup": 1
},
{
"id": "mp-1175222",
"created_at": "2022-09-04T14:39:14.588407Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.844120 0.000000 0.000000\n2.912354 5.213002 0.000000\n1.473320 2.178033 7.168579\nLi Mn Co O\n7 4 1 12\ndirect\n0.165749 0.329283 0.671279 Li\n0.339896 0.167112 0.331269 Li\n0.828859 0.683539 0.323339 Li\n0.994075 0.501063 0.004028 Li\n0.506802 0.982403 0.007859 Li\n0.664031 0.835922 0.664284 Li\n0.501030 0.502038 0.001484 Li\n0.998852 0.001149 0.000942 Mn\n0.667701 0.327808 0.668964 Mn\n0.171658 0.824243 0.669886 Mn\n0.334361 0.668499 0.330090 Mn\n0.825357 0.180926 0.324022 Co\n0.306592 0.920675 0.831123 O\n0.474101 0.761012 0.502217 O\n0.997374 0.208602 0.512302 O\n0.135517 0.102553 0.156119 O\n0.655888 0.579907 0.183732 O\n0.838567 0.371320 0.838868 O\n0.021308 0.750657 0.503126 O\n0.157712 0.628503 0.160710 O\n0.689977 0.081982 0.167036 O\n0.863005 0.898378 0.840590 O\n0.333737 0.451055 0.807784 O\n0.527852 0.241370 0.498946 O\n",
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],
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"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
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{
"id": "mp-777841",
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"structure_string": "Fe6 O5 F7\n1.0\n4.691954 0.000000 0.000000\n0.091974 5.656742 0.000000\n0.014873 0.509891 7.947789\nFe O F\n6 5 7\ndirect\n0.549355 0.161696 0.353550 Fe\n0.463649 0.494715 0.974486 Fe\n0.499697 0.833732 0.664975 Fe\n0.016788 0.674221 0.307087 Fe\n0.971160 0.336841 0.690813 Fe\n0.981359 0.003523 0.016422 Fe\n0.803333 0.960684 0.234043 O\n0.794535 0.293184 0.911517 O\n0.707773 0.141236 0.568742 O\n0.292333 0.525627 0.759093 O\n0.200560 0.705890 0.095605 O\n0.818592 0.629016 0.547264 F\n0.705156 0.787624 0.903835 F\n0.695172 0.462978 0.236653 F\n0.298529 0.875539 0.424424 F\n0.305404 0.205052 0.110450 F\n0.190943 0.036341 0.782509 F\n0.205661 0.372101 0.418531 F\n",
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},
{
"id": "mp-1244982",
"created_at": "2022-09-04T14:39:14.842538Z",
"structure_string": "Al40 O60\n1.0\n10.543442 0.017250 -0.477998\n0.002828 10.150480 -0.358881\n-0.459634 -0.365173 10.448729\nAl O\n40 60\ndirect\n0.558861 0.142089 0.764257 Al\n0.662896 0.070183 0.530616 Al\n0.299816 0.405252 0.827473 Al\n0.080616 0.229406 0.358537 Al\n0.895797 0.197447 0.139339 Al\n0.275806 0.715896 0.210750 Al\n0.163370 0.008237 0.582633 Al\n0.072517 0.306738 0.624443 Al\n0.432824 0.186006 0.987239 Al\n0.683982 0.364425 0.002961 Al\n0.487416 0.482203 0.640601 Al\n0.389367 0.858253 0.794560 Al\n0.430617 0.932440 0.537300 Al\n0.859239 0.932420 0.640004 Al\n0.485772 0.107735 0.269198 Al\n0.699476 0.887457 0.822413 Al\n0.180265 0.287646 0.152211 Al\n0.620306 0.856853 0.300481 Al\n0.213462 0.998111 0.314669 Al\n0.531238 0.914996 0.012333 Al\n0.957567 0.040266 0.937491 Al\n0.445754 0.601700 0.958804 Al\n0.822575 0.883477 0.118142 Al\n0.987140 0.694011 0.216850 Al\n0.242585 0.925057 0.012291 Al\n0.346694 0.216112 0.511698 Al\n0.064635 0.587855 0.710004 Al\n0.535629 0.559325 0.207204 Al\n0.973822 0.345764 0.902786 Al\n0.128938 0.850093 0.773916 Al\n0.904159 0.659678 0.912654 Al\n0.595464 0.353853 0.421577 Al\n0.318308 0.474341 0.366787 Al\n0.288154 0.704820 0.536777 Al\n0.771061 0.624078 0.662178 Al\n0.779000 0.617899 0.391057 Al\n0.160074 0.506316 0.045865 Al\n0.787317 0.357092 0.711758 Al\n0.912803 0.999381 0.360888 Al\n0.886276 0.385503 0.317293 Al\n0.994022 0.851369 0.294649 O\n0.160020 0.133282 0.212996 O\n0.592076 0.220353 0.931126 O\n0.000496 0.342861 0.470209 O\n0.777038 0.329009 0.149024 O\n0.952368 0.279584 0.732710 O\n0.493592 0.760710 0.916689 O\n0.086788 0.058973 0.421016 O\n0.574927 0.498468 0.049668 O\n0.107380 0.979984 0.921957 O\n0.202972 0.188530 0.605142 O\n0.911432 0.572813 0.303080 O\n0.899298 0.167800 0.306207 O\n0.383778 0.012834 0.988612 O\n0.767157 0.918432 0.270428 O\n0.858203 0.959244 0.817766 O\n0.261205 0.795518 0.889728 O\n0.784414 0.402262 0.880323 O\n0.696631 0.902104 0.000147 O\n0.426036 0.790351 0.632503 O\n0.251692 0.886015 0.180265 O\n0.903530 0.517036 0.681519 O\n0.490139 0.458151 0.326821 O\n0.922415 0.207039 0.972840 O\n0.028423 0.932520 0.644868 O\n0.437646 0.218991 0.152800 O\n0.259789 0.952797 0.718699 O\n0.002926 0.517828 0.947388 O\n0.363059 0.544459 0.540844 O\n0.158410 0.697575 0.633755 O\n0.418009 0.666788 0.142204 O\n0.276027 0.656425 0.363664 O\n0.800762 0.719008 0.534525 O\n0.253041 0.443183 0.193895 O\n0.829027 0.028523 0.503855 O\n0.914849 0.018573 0.094875 O\n0.159546 0.437702 0.720093 O\n0.480086 0.330469 0.541686 O\n0.243198 0.321041 0.406206 O\n0.881616 0.723959 0.072710 O\n0.611681 0.178311 0.387184 O\n0.685786 0.208468 0.670906 O\n0.126632 0.655640 0.139294 O\n0.743678 0.440357 0.399910 O\n0.357832 0.247614 0.848689 O\n0.461897 0.095412 0.612342 O\n0.659314 0.489681 0.639223 O\n0.526657 0.947977 0.186237 O\n0.645573 0.679970 0.292354 O\n0.686763 0.936172 0.654649 O\n0.758825 0.711492 0.812942 O\n0.016798 0.723903 0.815683 O\n0.265393 0.899620 0.469005 O\n0.445366 0.495862 0.798363 O\n0.361188 0.091406 0.374533 O\n0.021328 0.332666 0.216451 O\n0.539094 0.976226 0.828798 O\n0.140361 0.327146 0.988195 O\n0.288518 0.530232 0.953046 O\n0.559442 0.928367 0.437660 O\n",
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