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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=140",
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"results": [
{
"id": "mp-1244927",
"created_at": "2022-09-04T14:40:23.599654Z",
"structure_string": "Ga50 N50\n1.0\n10.847955 -0.006101 0.113853\n-0.017248 11.784953 -0.219028\n0.121076 -0.221212 11.535103\nGa N\n50 50\ndirect\n0.064811 0.580434 0.720128 Ga\n0.226888 0.637648 0.413246 Ga\n0.159593 0.667748 0.100881 Ga\n0.938494 0.723192 0.551296 Ga\n0.110943 0.201778 0.134212 Ga\n0.499774 0.535552 0.766405 Ga\n0.469546 0.817918 0.789845 Ga\n0.100972 0.967968 0.090640 Ga\n0.443383 0.442917 0.510498 Ga\n0.862136 0.011979 0.188817 Ga\n0.259662 0.818099 0.902783 Ga\n0.189936 0.050256 0.802189 Ga\n0.706514 0.406715 0.922359 Ga\n0.801430 0.205414 0.148257 Ga\n0.816123 0.162099 0.498246 Ga\n0.444813 0.045293 0.796246 Ga\n0.025721 0.019540 0.558056 Ga\n0.599939 0.668835 0.985795 Ga\n0.653836 0.641798 0.413587 Ga\n0.747725 0.026001 0.680250 Ga\n0.054086 0.840520 0.319861 Ga\n0.465566 0.731873 0.191075 Ga\n0.952360 0.407033 0.563223 Ga\n0.632180 0.199163 0.945812 Ga\n0.244935 0.321181 0.417908 Ga\n0.603310 0.933225 0.011598 Ga\n0.982032 0.393966 0.112390 Ga\n0.982535 0.570141 0.315652 Ga\n0.492302 0.013578 0.522706 Ga\n0.877562 0.037561 0.933362 Ga\n0.944988 0.566040 0.974997 Ga\n0.682154 0.371779 0.648668 Ga\n0.009115 0.217251 0.658298 Ga\n0.186462 0.413337 0.610606 Ga\n0.357986 0.015504 0.067263 Ga\n0.010205 0.309652 0.895818 Ga\n0.660045 0.773596 0.609588 Ga\n0.767649 0.752966 0.819999 Ga\n0.223837 0.457251 0.838126 Ga\n0.764208 0.565455 0.163389 Ga\n0.805357 0.403051 0.370812 Ga\n0.844289 0.799393 0.073692 Ga\n0.934966 0.899420 0.711088 Ga\n0.404786 0.240329 0.696296 Ga\n0.484436 0.928188 0.306844 Ga\n0.360658 0.645214 0.991405 Ga\n0.185356 0.086051 0.341831 Ga\n0.431861 0.659832 0.523914 Ga\n0.753394 0.575878 0.675444 Ga\n0.051250 0.764091 0.837009 Ga\n0.296144 0.167955 0.457234 N\n0.515098 0.066808 0.954912 N\n0.552774 0.135974 0.219151 N\n0.082073 0.978296 0.408644 N\n0.036640 0.701306 0.407689 N\n0.048935 0.473085 0.869095 N\n0.787475 0.555552 0.326864 N\n0.362726 0.534057 0.871057 N\n0.757573 0.833234 0.361381 N\n0.199948 0.784178 0.226318 N\n0.499523 0.689718 0.677232 N\n0.610716 0.807063 0.895810 N\n0.998192 0.304769 0.343792 N\n0.924181 0.566500 0.615859 N\n0.134563 0.234068 0.785488 N\n0.111596 0.254082 0.307296 N\n0.781873 0.141387 0.834449 N\n0.572244 0.221597 0.443852 N\n0.004810 0.418390 0.396712 N\n0.703810 0.703611 0.118899 N\n0.307766 0.436739 0.231263 N\n0.262703 0.439172 0.144533 N\n0.364596 0.291674 0.949328 N\n0.971697 0.875635 0.175479 N\n0.227260 0.811568 0.595262 N\n0.223688 0.968322 0.964139 N\n0.640899 0.547228 0.870445 N\n0.474176 0.909203 0.139129 N\n0.276648 0.895654 0.599984 N\n0.574451 0.449536 0.181514 N\n0.531162 0.294313 0.394119 N\n0.982841 0.098145 0.063046 N\n0.710031 0.914797 0.336807 N\n0.906557 0.315385 0.251696 N\n0.221237 0.073101 0.177290 N\n0.024632 0.563979 0.146177 N\n0.286739 0.728053 0.276847 N\n0.524932 0.425261 0.099457 N\n0.786237 0.338304 0.781703 N\n0.825285 0.458718 0.043160 N\n0.776365 0.950773 0.042013 N\n0.371057 0.142122 0.538082 N\n0.484455 0.193767 0.179584 N\n0.234200 0.307918 0.748248 N\n0.787970 0.329269 0.514213 N\n0.500023 0.385177 0.662925 N\n0.596177 0.940502 0.634424 N\n0.857612 0.240541 0.798707 N\n0.290476 0.240431 0.992954 N\n0.902796 0.716225 0.931898 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.716331169953047,
"density_atomic": 0.06784309554685612,
"volume": 1473.989345473403,
"volume_molar": 8.876571317181103,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -563.6933243999999,
"energy_per_atom": -5.636933244,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -545.6433244,
"band_gap": 0.1326,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.270000Z",
"spacegroup": 1
},
{
"id": "mp-1334909",
"created_at": "2022-09-04T14:40:23.601979Z",
"structure_string": "Tb24 Pb4 Se40\n1.0\n7.626911 0.000000 0.000000\n-2.556841 7.192920 0.000000\n-2.482058 -3.614729 31.217890\nTb Pb Se\n24 4 40\ndirect\n0.175891 0.801251 0.022129 Tb\n0.572255 0.206992 0.224971 Tb\n0.997313 0.369119 0.125869 Tb\n0.531182 0.403579 0.074227 Tb\n0.971397 0.611656 0.430636 Tb\n0.395956 0.767079 0.327057 Tb\n0.930328 0.802390 0.275378 Tb\n0.175030 0.923179 0.149934 Tb\n0.370590 0.991302 0.625698 Tb\n0.808188 0.167355 0.527909 Tb\n0.321401 0.198168 0.476215 Tb\n0.994932 0.120375 0.376238 Tb\n0.574140 0.323005 0.351157 Tb\n0.774916 0.402874 0.825903 Tb\n0.194904 0.567929 0.724701 Tb\n0.733631 0.600379 0.670852 Tb\n0.397494 0.541515 0.572681 Tb\n0.597211 0.978021 0.921642 Tb\n0.369375 0.124651 0.752842 Tb\n0.810426 0.924429 0.779004 Tb\n0.921559 0.177630 0.649068 Tb\n0.199833 0.322951 0.969559 Tb\n0.780683 0.538267 0.946594 Tb\n0.323756 0.570496 0.851200 Tb\n0.599295 0.725090 0.172933 Pb\n0.728659 0.970921 0.048134 Pb\n0.129870 0.377142 0.249489 Pb\n0.526202 0.769975 0.453837 Pb\n0.326172 0.692136 0.098276 Se\n0.245257 0.093136 0.302866 Se\n0.920319 0.419820 0.025688 Se\n0.335942 0.328374 0.167971 Se\n0.900607 0.042849 0.200264 Se\n0.638874 0.482082 0.502678 Se\n0.154249 0.147165 0.072259 Se\n0.142603 0.486843 0.499971 Se\n0.746769 0.741509 0.368957 Se\n0.610848 0.126060 0.130301 Se\n0.296710 0.432475 0.398090 Se\n0.859537 0.690408 0.098881 Se\n0.553217 0.543120 0.274334 Se\n0.310783 0.829650 0.230166 Se\n0.721528 0.232910 0.427022 Se\n0.900908 0.545765 0.199142 Se\n0.009946 0.518486 0.330699 Se\n0.151659 0.158606 0.574230 Se\n0.696515 0.848146 0.601612 Se\n0.947276 0.950399 0.469116 Se\n0.296171 0.945799 0.398972 Se\n0.729117 0.093741 0.300567 Se\n0.420124 0.927746 0.531156 Se\n0.546564 0.544460 0.772194 Se\n0.101115 0.254187 0.798590 Se\n0.348830 0.339760 0.673939 Se\n0.111375 0.605374 0.632272 Se\n0.526501 0.018078 0.826627 Se\n0.689490 0.328906 0.602357 Se\n0.808187 0.315259 0.727220 Se\n0.944065 0.939373 0.969871 Se\n0.494524 0.630192 0.998782 Se\n0.034819 0.903293 0.700275 Se\n0.736102 0.744430 0.869318 Se\n0.101818 0.735653 0.797949 Se\n0.533296 0.898972 0.702232 Se\n0.216789 0.707235 0.928842 Se\n0.451953 0.300161 0.898709 Se\n0.495475 0.146849 0.996859 Se\n0.937548 0.307875 0.899891 Se\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Tb",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Tb",
"density": 7.564228794698649,
"density_atomic": 0.03970557211133634,
"volume": 1712.6059740261323,
"volume_molar": 15.166991532356285,
"formula_full": "Tb24 Pb4 Se40",
"formula_reduced": "Tb6PbSe10",
"formula_anonymous": "AB6C10",
"energy": -384.8115205,
"energy_per_atom": -5.658992948529411,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -365.9315205,
"band_gap": 0.6600999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0030436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.255000Z",
"spacegroup": 1
},
{
"id": "mp-764796",
"created_at": "2022-09-04T14:40:21.508380Z",
"structure_string": "Li3 Fe8 B8 O24\n1.0\n5.296962 0.000000 0.000000\n-0.049709 9.047791 0.000000\n-2.469950 -4.479183 10.110643\nLi Fe B O\n3 8 8 24\ndirect\n0.825444 0.182567 0.339955 Li\n0.399552 0.036406 0.091684 Li\n0.065796 0.405120 0.836781 Li\n0.593611 0.606681 0.870799 Fe\n0.910230 0.891242 0.119667 Fe\n0.154998 0.475153 0.613037 Fe\n0.344116 0.013090 0.374940 Fe\n0.650179 0.981561 0.628961 Fe\n0.852610 0.534463 0.367460 Fe\n0.095298 0.084355 0.869451 Fe\n0.398218 0.399902 0.125024 Fe\n0.350945 0.342610 0.365779 B\n0.114513 0.760232 0.875227 B\n0.857930 0.867537 0.376541 B\n0.592468 0.275490 0.871369 B\n0.145636 0.141333 0.623946 B\n0.400997 0.728441 0.122826 B\n0.653589 0.643261 0.623857 B\n0.892133 0.231515 0.123788 B\n0.881601 0.764485 0.912102 O\n0.528479 0.543173 0.667119 O\n0.779425 0.104498 0.138962 O\n0.469555 0.205658 0.361782 O\n0.122823 0.373058 0.413008 O\n0.205814 0.606208 0.823350 O\n0.714737 0.407435 0.866762 O\n0.961073 0.982574 0.337764 O\n0.309611 0.882325 0.176196 O\n0.361547 0.094659 0.571388 O\n0.061794 0.289489 0.640722 O\n0.604081 0.721194 0.062764 O\n0.362015 0.289071 0.916648 O\n0.637091 0.908266 0.427992 O\n0.697287 0.128403 0.826389 O\n0.024977 0.039289 0.663658 O\n0.285238 0.596322 0.125129 O\n0.773605 0.373750 0.150578 O\n0.870937 0.591964 0.575381 O\n0.558365 0.783334 0.629032 O\n0.967275 0.732932 0.363274 O\n0.253539 0.899747 0.898702 O\n0.454176 0.446397 0.321839 O\n0.131398 0.218485 0.086968 O\n",
"nsites": 43,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.2146222584889066,
"density_atomic": 0.08874017119160946,
"volume": 484.56070596430993,
"volume_molar": 6.78626227460941,
"formula_full": "Li3 Fe8 B8 O24",
"formula_reduced": "Li3Fe8(BO3)8",
"formula_anonymous": "A3B8C8D24",
"energy": -342.36508299,
"energy_per_atom": -7.961978674186047,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -307.82908299,
"band_gap": 1.6373,
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"is_magnetic": true,
"total_magnetization": 37.0053015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.501000Z",
"spacegroup": 1
},
{
"id": "mp-1666679",
"created_at": "2022-09-04T14:40:21.512709Z",
"structure_string": "Co4 Sb4 P8 O32\n1.0\n0.243279 -0.007795 4.933896\n10.035664 6.487248 0.491086\n-9.998930 6.429249 -0.513134\nCo Sb P O\n4 4 8 32\ndirect\n0.424384 0.950638 0.732990 Co\n0.601850 0.995095 0.216789 Co\n0.394048 0.494639 0.274017 Co\n0.576948 0.546824 0.763238 Co\n0.962026 0.270768 0.979398 Sb\n0.912030 0.768161 0.468050 Sb\n0.092292 0.728429 0.028996 Sb\n0.035968 0.230519 0.521922 Sb\n0.419014 0.183919 0.078171 P\n0.382252 0.667893 0.570297 P\n0.622750 0.829529 0.926010 P\n0.580861 0.319055 0.426561 P\n0.846075 0.563675 0.151055 P\n0.877285 0.091375 0.689303 P\n0.123351 0.408764 0.812138 P\n0.149283 0.938511 0.348972 P\n0.591446 0.388819 0.347683 O\n0.644646 0.908647 0.855690 O\n0.355977 0.589400 0.641022 O\n0.410278 0.114150 0.157303 O\n0.719696 0.197379 0.057823 O\n0.681810 0.685903 0.560034 O\n0.324285 0.811649 0.938828 O\n0.279186 0.304922 0.445176 O\n0.155477 0.563982 0.171503 O\n0.182807 0.072673 0.700247 O\n0.817871 0.428144 0.803032 O\n0.839130 0.940088 0.329148 O\n0.202581 0.342194 0.901504 O\n0.248544 0.853815 0.413712 O\n0.746511 0.647105 0.084822 O\n0.798828 0.158789 0.600906 O\n0.239663 0.126516 0.951687 O\n0.217242 0.615744 0.438976 O\n0.249277 0.314383 0.130552 O\n0.215411 0.797153 0.627887 O\n0.789699 0.700517 0.868490 O\n0.752030 0.189791 0.373947 O\n0.789119 0.882905 0.056769 O\n0.757170 0.376529 0.554166 O\n0.707048 0.597058 0.273803 O\n0.756906 0.177838 0.819905 O\n0.749295 0.425813 0.065049 O\n0.725356 0.971716 0.640315 O\n0.242436 0.321765 0.681829 O\n0.285060 0.903575 0.224920 O\n0.276655 0.528184 0.859563 O\n0.248145 0.075061 0.435803 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Co",
"Sb",
"P",
"O"
],
"chemical_system": "Co-O-P-Sb",
"density": 3.8659030762939204,
"density_atomic": 0.07537643699774633,
"volume": 636.8037799589166,
"volume_molar": 7.9894208321097135,
"formula_full": "Co4 Sb4 P8 O32",
"formula_reduced": "CoSb(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -353.71402329,
"energy_per_atom": -7.369042151875,
"energy_above_hull": null,
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"energy_uncorrected": -325.17802329,
"band_gap": 1.6506000000000003,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.872000Z",
"spacegroup": 1
},
{
"id": "mp-1235506",
"created_at": "2022-09-04T14:40:22.141435Z",
"structure_string": "K2 Li1 S2 O4 F2\n1.0\n4.362049 -0.508005 -1.196641\n-0.715801 6.421283 -0.094304\n0.543520 -0.128789 7.631979\nK Li S O F\n2 1 2 4 2\ndirect\n0.738930 0.705380 0.349835 K\n0.394614 0.187705 0.622005 K\n0.353177 0.049124 0.133173 Li\n0.019725 0.334046 0.129851 S\n0.877945 0.789189 0.827421 S\n0.825885 0.934693 0.685386 O\n0.138037 0.406215 0.327222 O\n0.669281 0.271785 0.080709 O\n0.204032 0.843805 0.921974 O\n0.304248 0.933632 0.335553 F\n0.876904 0.554843 0.688724 F\n",
"nsites": 11,
"nelements": 5,
"elements": [
"K",
"Li",
"S",
"O",
"F"
],
"chemical_system": "F-K-Li-O-S",
"density": 1.9402880674037943,
"density_atomic": 0.05115439787788463,
"volume": 215.03527470422216,
"volume_molar": 11.7724790239463,
"formula_full": "K2 Li1 S2 O4 F2",
"formula_reduced": "K2LiS2(O2F)2",
"formula_anonymous": "AB2C2D2E4",
"energy": -59.37841686,
"energy_per_atom": -5.398037896363636,
"energy_above_hull": null,
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"energy_uncorrected": -55.70641686,
"band_gap": 0.9722,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.936000Z",
"spacegroup": 1
},
{
"id": "mp-1099902",
"created_at": "2022-09-04T14:40:21.652732Z",
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{
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{
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"structure_string": "Li4 Co12 O4 F20\n1.0\n8.402636 0.000000 0.000000\n-2.785231 7.977192 0.000000\n-2.771478 -3.888416 6.970871\nLi Co O F\n4 12 4 20\ndirect\n0.480584 0.483940 0.477114 Li\n0.519789 0.002652 0.004429 Li\n0.033186 0.028997 0.529813 Li\n0.990370 0.499254 0.977029 Li\n0.287516 0.049881 0.241196 Co\n0.253833 0.226885 0.975873 Co\n0.762221 0.296937 0.541614 Co\n0.030281 0.235274 0.254705 Co\n0.513251 0.253750 0.782379 Co\n0.785011 0.533963 0.245840 Co\n0.208186 0.459356 0.748791 Co\n0.462965 0.753669 0.217513 Co\n0.968374 0.733511 0.720689 Co\n0.762058 0.802368 0.042886 Co\n0.249328 0.718781 0.467913 Co\n0.722604 0.969543 0.770548 Co\n0.278620 0.257127 0.760209 O\n0.778768 0.034117 0.034589 O\n0.000424 0.527987 0.750980 O\n0.256738 0.259648 0.215141 O\n0.048054 0.976534 0.280392 F\n0.549463 0.041063 0.281019 F\n0.500191 0.270197 0.542360 F\n0.765532 0.543332 0.994279 F\n0.943658 0.208334 0.466821 F\n0.759378 0.221182 0.767717 F\n0.558527 0.270027 0.054132 F\n0.264063 0.510467 0.537670 F\n0.714542 0.492599 0.439027 F\n0.455530 0.724304 0.957003 F\n0.241625 0.792860 0.253502 F\n0.726362 0.706357 0.763221 F\n0.038677 0.768170 0.502845 F\n0.235572 0.486215 0.036635 F\n0.997084 0.469733 0.227891 F\n0.714703 0.752037 0.261349 F\n0.512076 0.747411 0.471473 F\n0.235857 0.945054 0.952711 F\n0.444183 0.960557 0.721656 F\n0.950813 0.985924 0.729048 F\n",
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{
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},
{
"id": "mp-672118",
"created_at": "2022-09-04T14:40:21.968275Z",
"structure_string": "K4 Ta2 Ag2 S8\n1.0\n0.000000 6.765673 11.551202\n2.994426 0.000000 11.551202\n2.994426 6.765673 0.000000\nK Ta Ag S\n4 2 2 8\ndirect\n0.813907 0.799118 0.439505 K\n0.202404 0.188793 0.546259 K\n0.440589 0.452106 0.806268 K\n0.563182 0.545966 0.190049 K\n0.368387 0.382781 0.382993 Ta\n0.616063 0.633973 0.632319 Ta\n0.882024 0.867370 0.874295 Ag\n0.121272 0.127954 0.133805 Ag\n0.123622 0.740606 0.420023 S\n0.200002 0.432958 0.756363 S\n0.430890 0.200193 0.114543 S\n0.749633 0.120185 0.204975 S\n0.889213 0.244697 0.563675 S\n0.250733 0.884521 0.801320 S\n0.563642 0.802427 0.884792 S\n0.785533 0.579204 0.255068 S\n",
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"elements": [
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],
"chemical_system": "Ag-K-S-Ta",
"density": 3.5143232249171343,
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"volume_molar": 17.616218263493767,
"formula_full": "K4 Ta2 Ag2 S8",
"formula_reduced": "K2TaAgS4",
"formula_anonymous": "ABC2D4",
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},
{
"id": "mp-779579",
"created_at": "2022-09-04T14:40:21.981603Z",
"structure_string": "Li2 Cu10 P4 O16\n1.0\n5.523288 0.000000 0.000000\n-0.001091 6.256750 0.000000\n-0.005636 -0.011496 10.476955\nLi Cu P O\n2 10 4 16\ndirect\n0.674532 0.249177 0.496092 Li\n0.324878 0.749356 0.248277 Li\n0.798288 0.004456 0.750071 Cu\n0.803215 0.996630 0.244793 Cu\n0.657662 0.244939 0.000395 Cu\n0.330161 0.258230 0.248715 Cu\n0.349506 0.251331 0.751974 Cu\n0.195960 0.495121 0.998847 Cu\n0.201521 0.505101 0.495437 Cu\n0.343313 0.743268 0.747194 Cu\n0.654947 0.755470 0.496598 Cu\n0.664940 0.756409 0.003352 Cu\n0.171629 0.994068 0.003066 P\n0.170645 0.004622 0.497101 P\n0.827389 0.502740 0.254360 P\n0.830416 0.496617 0.745942 P\n0.176499 0.995599 0.645154 O\n0.905066 0.015709 0.448600 O\n0.180622 0.992516 0.150865 O\n0.910396 0.993913 0.949466 O\n0.320378 0.205468 0.450169 O\n0.301655 0.199126 0.949283 O\n0.698952 0.295604 0.199631 O\n0.696363 0.297808 0.686133 O\n0.824532 0.492712 0.893777 O\n0.093605 0.496742 0.694769 O\n0.818216 0.494622 0.402044 O\n0.091846 0.514567 0.203873 O\n0.699346 0.704378 0.695507 O\n0.678098 0.701155 0.204491 O\n0.298687 0.801799 0.436468 O\n0.306742 0.790742 0.950151 O\n",
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"elements": [
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],
"chemical_system": "Cu-Li-O-P",
"density": 4.720400928826737,
"density_atomic": 0.08838293273920722,
"volume": 362.06085279408927,
"volume_molar": 6.813691935036391,
"formula_full": "Li2 Cu10 P4 O16",
"formula_reduced": "LiCu5(PO4)2",
"formula_anonymous": "AB2C5D8",
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"updated_at": "2021-11-28T01:34:47.615000Z",
"spacegroup": 1
}
]
}