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{
"id": "mp-1177352",
"created_at": "2022-09-04T14:45:35.158648Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.799508 0.000000 0.000000\n4.894115 8.494704 0.000000\n0.057942 0.034656 14.015690\nLi V P O\n8 6 16 58\ndirect\n0.320755 0.770745 0.563118 Li\n0.775773 0.907502 0.561605 Li\n0.913001 0.769551 0.058126 Li\n0.771305 0.322848 0.057773 Li\n0.901706 0.325103 0.562144 Li\n0.098251 0.223285 0.937718 Li\n0.227689 0.093190 0.442247 Li\n0.676007 0.094261 0.935741 Li\n0.005469 0.566225 0.254890 V\n0.999352 0.434875 0.749797 V\n0.428377 0.568306 0.753818 V\n0.560477 0.436176 0.253688 V\n0.436621 0.993129 0.243966 V\n0.568010 0.998556 0.749184 V\n0.316977 0.913312 0.841476 P\n0.314981 0.771771 0.342664 P\n0.768136 0.912801 0.342460 P\n0.673040 0.662219 0.128345 P\n0.664910 0.665737 0.626775 P\n0.913083 0.767899 0.843602 P\n0.086098 0.683770 0.658973 P\n0.767762 0.318561 0.841959 P\n0.229227 0.686967 0.156426 P\n0.909849 0.318886 0.340683 P\n0.088164 0.232080 0.159065 P\n0.334069 0.327832 0.371798 P\n0.335085 0.330920 0.873325 P\n0.231982 0.088072 0.657869 P\n0.682490 0.232302 0.658078 P\n0.682359 0.089213 0.159281 P\n0.240922 0.002336 0.567022 O\n0.338396 0.917852 0.335313 O\n0.235869 0.765695 0.069193 O\n0.342270 0.743508 0.834238 O\n0.477567 0.903672 0.825266 O\n0.521722 0.813543 0.173805 O\n0.615451 0.906483 0.320598 O\n0.757498 0.001434 0.069628 O\n0.745935 0.916758 0.837990 O\n0.511917 0.670038 0.669702 O\n0.477987 0.619108 0.322037 O\n0.672544 0.812291 0.666403 O\n0.670524 0.667818 0.022799 O\n0.659767 0.667081 0.520115 O\n0.818921 0.667904 0.170018 O\n0.617354 0.479413 0.823591 O\n0.669885 0.513837 0.169340 O\n0.911577 0.743499 0.332023 O\n0.005619 0.786917 0.754546 O\n0.996766 0.771653 0.573457 O\n0.990782 0.760548 0.935381 O\n0.901447 0.617977 0.823090 O\n0.811636 0.512211 0.666499 O\n0.085052 0.659177 0.163810 O\n0.903866 0.478551 0.322727 O\n0.742099 0.343809 0.333968 O\n0.206979 0.788635 0.253353 O\n0.247740 0.762493 0.435083 O\n0.767793 0.239918 0.572633 O\n0.255582 0.662684 0.662103 O\n0.099710 0.521973 0.674912 O\n0.915490 0.336300 0.841676 O\n0.185162 0.478715 0.325867 O\n0.094409 0.384035 0.177522 O\n0.001763 0.241360 0.069661 O\n0.997360 0.243079 0.430123 O\n0.999600 0.208719 0.249991 O\n0.082345 0.253938 0.660135 O\n0.334546 0.480993 0.826072 O\n0.382864 0.525283 0.178987 O\n0.186559 0.328172 0.833937 O\n0.336747 0.335616 0.979510 O\n0.328662 0.333774 0.476987 O\n0.332051 0.180544 0.330650 O\n0.523296 0.384085 0.677632 O\n0.480064 0.333784 0.326121 O\n0.256464 0.088239 0.165272 O\n0.211668 0.995593 0.746228 O\n0.229524 0.003187 0.926698 O\n0.379819 0.100750 0.675195 O\n0.489181 0.185761 0.833580 O\n0.520878 0.098227 0.177084 O\n0.661502 0.256372 0.161159 O\n0.754644 0.244593 0.933462 O\n0.787648 0.207015 0.753934 O\n0.660719 0.086096 0.659201 O\n0.761473 0.990722 0.433135 O\n0.789781 0.002002 0.250727 O\n",
"nsites": 88,
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"formula_full": "Li8 V6 P16 O58",
"formula_reduced": "Li4V3P8O29",
"formula_anonymous": "A3B4C8D29",
"energy": -669.1772022600001,
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"updated_at": "2021-11-28T01:37:10.186000Z",
"spacegroup": 1
},
{
"id": "mp-1026571",
"created_at": "2022-09-04T14:45:35.168657Z",
"structure_string": "Sr1 Mg14 Nb1\n1.0\n6.556521 -0.000000 0.000000\n-3.278261 5.678114 -0.000000\n0.000000 -0.000000 10.233908\nSr Mg Nb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Sr\n0.176914 0.838457 0.125000 Mg\n0.164257 0.832128 0.625000 Mg\n0.661543 0.323086 0.125000 Mg\n0.667872 0.335743 0.625000 Mg\n0.661543 0.838457 0.125000 Mg\n0.667872 0.832128 0.625000 Mg\n0.332908 0.167092 0.392350 Mg\n0.332908 0.167092 0.857650 Mg\n0.332908 0.665817 0.392350 Mg\n0.332908 0.665817 0.857650 Mg\n0.834183 0.167092 0.392350 Mg\n0.834183 0.167092 0.857650 Mg\n0.833333 0.666667 0.369044 Mg\n0.833333 0.666667 0.880956 Mg\n0.166667 0.333333 0.625000 Nb\n",
"nsites": 16,
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"elements": [
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"Mg",
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],
"chemical_system": "Mg-Nb-Sr",
"density": 2.269854302786978,
"density_atomic": 0.04199532145994929,
"volume": 380.9948214174075,
"volume_molar": 14.340027771291817,
"formula_full": "Sr1 Mg14 Nb1",
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"formula_anonymous": "ABC14",
"energy": -32.05936247,
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"updated_at": "2021-11-28T01:37:00.624000Z",
"spacegroup": 187
},
{
"id": "mp-1172980",
"created_at": "2022-09-04T14:45:35.174957Z",
"structure_string": "Li34 Co6 O24\n1.0\n6.589708 0.000000 0.000000\n0.006881 8.082934 0.000000\n0.015440 0.052762 11.466990\nLi Co O\n34 6 24\ndirect\n0.032634 0.281671 0.740131 Li\n0.030998 0.939452 0.407697 Li\n0.035741 0.602659 0.071686 Li\n0.029732 0.895453 0.920563 Li\n0.025824 0.236629 0.267841 Li\n0.250367 0.069010 0.812147 Li\n0.269421 0.216913 0.987518 Li\n0.226127 0.718803 0.492825 Li\n0.244865 0.394450 0.150678 Li\n0.246629 0.900232 0.648421 Li\n0.250618 0.566490 0.310778 Li\n0.481676 0.279624 0.736716 Li\n0.465709 0.927534 0.409565 Li\n0.467930 0.592283 0.072681 Li\n0.472321 0.915069 0.931947 Li\n0.467470 0.560963 0.592743 Li\n0.479344 0.217142 0.244746 Li\n0.536953 0.388154 0.927132 Li\n0.528706 0.771086 0.742876 Li\n0.539522 0.056345 0.596796 Li\n0.532929 0.433618 0.396831 Li\n0.538807 0.719835 0.262087 Li\n0.750756 0.599501 0.853182 Li\n0.726128 0.948154 0.181402 Li\n0.744391 0.273236 0.518369 Li\n0.771364 0.452660 0.675591 Li\n0.750449 0.098539 0.355341 Li\n0.747597 0.765691 0.018080 Li\n0.973514 0.750646 0.729164 Li\n0.976183 0.391955 0.929633 Li\n0.964607 0.068307 0.595902 Li\n0.969285 0.455020 0.419311 Li\n0.959966 0.732269 0.259688 Li\n0.953862 0.110563 0.072619 Li\n0.253452 0.581812 0.835084 Co\n0.253353 0.253464 0.499541 Co\n0.252770 0.918843 0.164297 Co\n0.752965 0.085174 0.831183 Co\n0.752973 0.746138 0.503130 Co\n0.753963 0.415564 0.167618 Co\n0.017943 0.150989 0.904770 O\n0.007015 0.838911 0.566185 O\n0.012822 0.492086 0.240247 O\n0.253830 0.470955 0.994961 O\n0.252394 0.831481 0.814706 O\n0.252086 0.153565 0.648882 O\n0.246062 0.814508 0.318870 O\n0.262117 0.480466 0.472303 O\n0.231305 0.149379 0.157463 O\n0.485316 0.157222 0.887408 O\n0.479976 0.818551 0.569427 O\n0.483292 0.481734 0.233854 O\n0.494447 0.832846 0.103220 O\n0.518140 0.517066 0.760397 O\n0.502567 0.175561 0.430989 O\n0.750474 0.838191 0.853699 O\n0.763852 0.175817 0.197723 O\n0.728741 0.504142 0.508638 O\n0.754291 0.192780 0.671708 O\n0.745215 0.856831 0.341093 O\n0.751780 0.522580 0.011689 O\n0.987390 0.510671 0.776449 O\n0.993503 0.850190 0.098646 O\n0.995699 0.186222 0.436284 O\n",
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"volume": 610.7797602860514,
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"formula_full": "Li34 Co6 O24",
"formula_reduced": "Li17(CoO4)3",
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{
"id": "mp-18329",
"created_at": "2022-09-04T14:45:35.177109Z",
"structure_string": "Cs4 Mg4 P4 O16\n1.0\n5.593568 0.000000 0.000000\n0.000000 9.061202 0.000000\n0.000000 0.000000 9.899586\nCs Mg P O\n4 4 4 16\ndirect\n0.250000 0.998125 0.195487 Cs\n0.750000 0.001875 0.804513 Cs\n0.250000 0.498125 0.304513 Cs\n0.750000 0.501875 0.695487 Cs\n0.250000 0.323220 0.918729 Mg\n0.750000 0.676780 0.081271 Mg\n0.750000 0.176780 0.418729 Mg\n0.250000 0.823220 0.581271 Mg\n0.250000 0.705453 0.915036 P\n0.250000 0.205453 0.584964 P\n0.750000 0.294547 0.084964 P\n0.750000 0.794547 0.415036 P\n0.250000 0.535436 0.914816 O\n0.750000 0.464564 0.085184 O\n0.250000 0.035436 0.585184 O\n0.750000 0.964564 0.414816 O\n0.975523 0.235217 0.010448 O\n0.475523 0.764783 0.989552 O\n0.524477 0.735217 0.489552 O\n0.024477 0.264783 0.510448 O\n0.024477 0.764783 0.989552 O\n0.524477 0.235217 0.010448 O\n0.475523 0.264783 0.510448 O\n0.975523 0.735217 0.489552 O\n0.750000 0.736190 0.268475 O\n0.250000 0.263810 0.731525 O\n0.750000 0.236190 0.231525 O\n0.250000 0.763810 0.768475 O\n",
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"formula_full": "Cs4 Mg4 P4 O16",
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{
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"created_at": "2022-09-04T14:45:35.179018Z",
"structure_string": "Sc1 Ti4 Ni5 Sn5\n1.0\n17.339872 -2.117783 0.000000\n17.339872 2.117783 0.000000\n17.081219 0.000000 3.658976\nSc Ti Ni Sn\n1 4 5 5\ndirect\n0.950509 0.950509 0.950509 Sc\n0.350585 0.350585 0.350585 Ti\n0.750089 0.750089 0.750089 Ti\n0.149706 0.149706 0.149706 Ti\n0.549084 0.549084 0.549084 Ti\n0.001988 0.001988 0.001988 Ni\n0.400499 0.400499 0.400499 Ni\n0.799903 0.799903 0.799903 Ni\n0.198828 0.198828 0.198828 Ni\n0.598193 0.598193 0.598193 Ni\n0.651273 0.651273 0.651273 Sn\n0.248373 0.248373 0.248373 Sn\n0.849649 0.849649 0.849649 Sn\n0.051166 0.051166 0.051166 Sn\n0.450154 0.450154 0.450154 Sn\n",
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{
"id": "mp-1204704",
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"structure_string": "Na12 V4 P12 N4 O36\n1.0\n9.572551 0.000000 0.000000\n0.000000 9.572551 0.000000\n0.000000 0.000000 9.572551\nNa V P N O\n12 4 12 4 36\ndirect\n0.487632 0.987632 0.512368 Na\n0.987632 0.512368 0.487632 Na\n0.512368 0.487632 0.987632 Na\n0.012368 0.012368 0.012368 Na\n0.107446 0.607446 0.892554 Na\n0.607446 0.892554 0.107446 Na\n0.892554 0.107446 0.607446 Na\n0.392554 0.392554 0.392554 Na\n0.198764 0.301236 0.698764 Na\n0.301236 0.698764 0.198764 Na\n0.801236 0.801236 0.801236 Na\n0.698764 0.198764 0.301236 Na\n0.080288 0.919712 0.419712 V\n0.580288 0.580288 0.580288 V\n0.419712 0.080288 0.919712 V\n0.919712 0.419712 0.080288 V\n0.255119 0.667842 0.584999 P\n0.415001 0.755119 0.832158 P\n0.167842 0.915001 0.744881 P\n0.755119 0.832158 0.415001 P\n0.915001 0.744881 0.167842 P\n0.667842 0.584999 0.255119 P\n0.744881 0.167842 0.915001 P\n0.584999 0.255119 0.667842 P\n0.832158 0.415001 0.755119 P\n0.244881 0.332158 0.084999 P\n0.084999 0.244881 0.332158 P\n0.332158 0.084999 0.244881 P\n0.302918 0.802918 0.697082 N\n0.802918 0.697082 0.302918 N\n0.697082 0.302918 0.802918 N\n0.197082 0.197082 0.197082 N\n0.150835 0.728330 0.477663 O\n0.522337 0.650835 0.771670 O\n0.228330 0.022337 0.849165 O\n0.650835 0.771670 0.522337 O\n0.022337 0.849165 0.228330 O\n0.728330 0.477663 0.150835 O\n0.849165 0.228330 0.022337 O\n0.477663 0.150835 0.728330 O\n0.771670 0.522337 0.650835 O\n0.349165 0.271670 0.977663 O\n0.977663 0.349165 0.271670 O\n0.271670 0.977663 0.349165 O\n0.388512 0.627145 0.505058 O\n0.494942 0.888512 0.872855 O\n0.127145 0.994942 0.611488 O\n0.888512 0.872855 0.494942 O\n0.994942 0.611488 0.127145 O\n0.627145 0.505058 0.388512 O\n0.611488 0.127145 0.994942 O\n0.505058 0.388512 0.627145 O\n0.872855 0.494942 0.888512 O\n0.111488 0.372855 0.005058 O\n0.005058 0.111488 0.372855 O\n0.372855 0.005058 0.111488 O\n0.190763 0.549797 0.667849 O\n0.332151 0.690763 0.950203 O\n0.049797 0.832151 0.809237 O\n0.690763 0.950203 0.332151 O\n0.832151 0.809237 0.049797 O\n0.549797 0.667849 0.190763 O\n0.809237 0.049797 0.832151 O\n0.667849 0.190763 0.549797 O\n0.950203 0.332151 0.690763 O\n0.309237 0.450203 0.167849 O\n0.167849 0.309237 0.450203 O\n0.450203 0.167849 0.309237 O\n",
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{
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{
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{
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}