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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=84",
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"results": [
{
"id": "mp-1325679",
"created_at": "2022-09-04T14:48:20.200951Z",
"structure_string": "Pu2 Co2 H48 C8 N12 O26\n1.0\n8.277773 0.000000 0.000000\n-2.548776 8.170085 0.000000\n-2.726613 -4.085199 13.758303\nPu Co H C N O\n2 2 48 8 12 26\ndirect\n0.004746 0.852290 0.635487 Pu\n0.995254 0.147710 0.364513 Pu\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.443119 0.063126 0.861900 H\n0.556881 0.936874 0.138100 H\n0.310975 0.976402 0.970744 H\n0.689025 0.023598 0.029256 H\n0.124617 0.735217 0.028287 H\n0.875383 0.264783 0.971713 H\n0.101553 0.821643 0.112327 H\n0.898447 0.178357 0.887673 H\n0.092784 0.094361 0.771121 H\n0.907216 0.905639 0.228879 H\n0.187794 0.116090 0.852554 H\n0.812206 0.883910 0.147446 H\n0.382534 0.181036 0.526605 H\n0.617466 0.818964 0.473395 H\n0.386947 0.277445 0.416309 H\n0.613053 0.722555 0.583691 H\n0.573631 0.266452 0.436621 H\n0.426369 0.733548 0.563379 H\n0.185610 0.434159 0.491201 H\n0.814390 0.565841 0.508799 H\n0.187250 0.314226 0.594374 H\n0.812750 0.685774 0.405626 H\n0.207711 0.519612 0.582206 H\n0.792290 0.480388 0.417794 H\n0.396798 0.541229 0.349889 H\n0.603202 0.458771 0.650111 H\n0.489551 0.730478 0.361136 H\n0.510449 0.269522 0.638864 H\n0.614421 0.627176 0.315295 H\n0.385579 0.372824 0.684705 H\n0.166765 0.338701 0.050396 H\n0.833235 0.661299 0.949604 H\n0.234978 0.452135 0.934190 H\n0.765022 0.547865 0.065810 H\n0.268991 0.269069 0.966603 H\n0.731009 0.730931 0.033397 H\n0.506958 0.801307 0.979467 H\n0.493042 0.198693 0.020533 H\n0.599250 0.788852 0.870824 H\n0.400750 0.211148 0.129176 H\n0.381056 0.711183 0.915823 H\n0.618944 0.288817 0.084177 H\n0.734096 0.564939 0.841065 H\n0.265904 0.435061 0.158935 H\n0.608764 0.361010 0.874070 H\n0.391236 0.638990 0.125930 H\n0.534609 0.509571 0.825022 H\n0.465391 0.490429 0.174978 H\n0.234543 0.655922 0.746167 C\n0.765457 0.344078 0.253833 C\n0.107894 0.682589 0.831171 C\n0.892106 0.317411 0.168829 C\n0.699976 0.021202 0.707001 C\n0.300024 0.978798 0.292999 C\n0.773365 0.107048 0.595117 C\n0.226635 0.892952 0.404883 C\n0.457302 0.281887 0.466220 N\n0.542698 0.718113 0.533780 N\n0.240787 0.435638 0.547754 N\n0.759213 0.564362 0.452246 N\n0.503302 0.613625 0.367140 N\n0.496698 0.386375 0.632860 N\n0.266625 0.376594 0.986604 N\n0.733375 0.623406 0.013396 N\n0.497223 0.724247 0.934163 N\n0.502777 0.275753 0.065837 N\n0.606328 0.480883 0.871127 N\n0.393672 0.519117 0.128873 N\n0.838157 0.657279 0.630711 O\n0.161843 0.342721 0.369289 O\n0.166546 0.049820 0.642102 O\n0.833454 0.950180 0.357898 O\n0.206897 0.699607 0.662801 O\n0.793103 0.300393 0.337199 O\n0.980476 0.725624 0.811072 O\n0.019524 0.274376 0.188928 O\n0.348250 0.595009 0.763049 O\n0.651750 0.404991 0.236951 O\n0.135711 0.658553 0.912940 O\n0.864289 0.341447 0.087060 O\n0.767764 0.913456 0.741504 O\n0.232236 0.086544 0.258496 O\n0.871873 0.038559 0.548597 O\n0.128127 0.961441 0.451403 O\n0.582255 0.062139 0.752955 O\n0.417745 0.937861 0.247045 O\n0.736514 0.229032 0.556148 O\n0.263486 0.770968 0.443852 O\n0.365127 0.084042 0.915589 O\n0.634873 0.915958 0.084411 O\n0.190244 0.797107 0.066671 O\n0.809756 0.202893 0.933329 O\n0.107599 0.155846 0.820195 O\n0.892401 0.844154 0.179805 O\n",
"nsites": 98,
"nelements": 6,
"elements": [
"Pu",
"Co",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Co-H-N-O-Pu",
"density": 2.3813843396684633,
"density_atomic": 0.10532249011134247,
"volume": 930.4755318298927,
"volume_molar": 5.717810843281097,
"formula_full": "Pu2 Co2 H48 C8 N12 O26",
"formula_reduced": "PuCoH24C4N6O13",
"formula_anonymous": "ABC4D6E13F24",
"energy": -529.12111143,
"energy_per_atom": -5.399195014591837,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -503.65111143,
"band_gap": 0.0487999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9409821,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:05.091000Z",
"spacegroup": 2
},
{
"id": "mp-1195048",
"created_at": "2022-09-04T14:48:29.138613Z",
"structure_string": "Na2 Ca2 Mn6 Si10 H2 O30\n1.0\n0.003508 0.479991 -6.865250\n-7.779435 -0.257528 0.567074\n3.941448 11.463992 -0.361136\nNa Ca Mn Si H O\n2 2 6 10 2 30\ndirect\n0.362037 0.526877 0.860579 Na\n0.637963 0.473123 0.139421 Na\n0.281361 0.706450 0.474977 Ca\n0.718639 0.293550 0.525023 Ca\n0.133611 0.864147 0.056406 Mn\n0.866389 0.135853 0.943594 Mn\n0.063025 0.939628 0.348611 Mn\n0.936975 0.060372 0.651389 Mn\n0.170921 0.810194 0.766342 Mn\n0.829079 0.189806 0.233658 Mn\n0.356472 0.206900 0.945617 Si\n0.643528 0.793100 0.054383 Si\n0.422877 0.129617 0.673431 Si\n0.577123 0.870383 0.326569 Si\n0.214708 0.355564 0.551454 Si\n0.785292 0.644436 0.448546 Si\n0.299025 0.273818 0.278564 Si\n0.700975 0.726182 0.721436 Si\n0.119796 0.487952 0.146373 Si\n0.880204 0.512048 0.853627 Si\n0.477850 0.819538 0.891425 H\n0.522150 0.180462 0.108575 H\n0.555868 0.178716 0.998751 O\n0.444132 0.821284 0.001249 O\n0.178692 0.053068 0.936559 O\n0.821308 0.946932 0.063441 O\n0.418249 0.232917 0.817977 O\n0.581751 0.767083 0.182023 O\n0.249173 0.970391 0.647038 O\n0.750827 0.029609 0.352962 O\n0.358937 0.924251 0.383226 O\n0.641063 0.075749 0.616774 O\n0.378026 0.302064 0.626048 O\n0.621974 0.697936 0.373952 O\n0.167235 0.569700 0.611298 O\n0.832765 0.430300 0.388703 O\n0.032795 0.205923 0.529975 O\n0.967205 0.794077 0.470025 O\n0.335359 0.345610 0.421172 O\n0.664641 0.654390 0.578828 O\n0.134165 0.107660 0.236571 O\n0.865835 0.892340 0.763429 O\n0.486159 0.782791 0.792376 O\n0.513841 0.217209 0.207624 O\n0.235330 0.462721 0.257782 O\n0.764670 0.537279 0.742218 O\n0.076650 0.702333 0.176885 O\n0.923350 0.297667 0.823115 O\n0.069904 0.654930 0.880593 O\n0.930096 0.345070 0.119407 O\n0.282226 0.416094 0.029648 O\n0.717774 0.583906 0.970352 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Mn",
"Si",
"H",
"O"
],
"chemical_system": "Ca-H-Mn-Na-O-Si",
"density": 3.3447305663529026,
"density_atomic": 0.08595047158692178,
"volume": 604.9995891809897,
"volume_molar": 7.006524395750178,
"formula_full": "Na2 Ca2 Mn6 Si10 H2 O30",
"formula_reduced": "NaCaMn3Si5HO15",
"formula_anonymous": "ABCD3E5F15",
"energy": -419.56012364,
"energy_per_atom": -8.068463916153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -388.94212364,
"band_gap": 3.1151,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 29.9962934,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:21.422000Z",
"spacegroup": 2
},
{
"id": "mp-774708",
"created_at": "2022-09-04T14:39:20.497554Z",
"structure_string": "Zn4 H48 C12 S16 N24 O16\n1.0\n7.774745 0.000000 0.000000\n0.000000 11.134876 0.000000\n0.000000 0.000000 15.656055\nZn H C S N O\n4 48 12 16 24 16\ndirect\n0.345130 0.067663 0.350801 Zn\n0.345130 0.432337 0.850801 Zn\n0.654870 0.567663 0.350801 Zn\n0.654870 0.932337 0.850801 Zn\n0.383441 0.036207 0.771519 H\n0.139357 0.037724 0.061910 H\n0.326062 0.057518 0.664146 H\n0.921501 0.083872 0.918453 H\n0.708303 0.114782 0.077615 H\n0.814900 0.145316 0.492965 H\n0.661025 0.150743 0.409216 H\n0.290401 0.154392 0.050495 H\n0.055076 0.202664 0.262428 H\n0.986419 0.212830 0.674331 H\n0.033683 0.217635 0.899250 H\n0.596634 0.246581 0.108192 H\n0.596634 0.253419 0.608192 H\n0.033683 0.282365 0.399250 H\n0.986419 0.287170 0.174331 H\n0.055076 0.297336 0.762428 H\n0.290401 0.345608 0.550495 H\n0.661025 0.349257 0.909216 H\n0.814900 0.354684 0.992965 H\n0.708303 0.385218 0.577615 H\n0.921501 0.416128 0.418453 H\n0.326062 0.442482 0.164146 H\n0.139357 0.462276 0.561910 H\n0.383441 0.463793 0.271519 H\n0.616559 0.536207 0.771519 H\n0.860643 0.537724 0.061910 H\n0.673938 0.557518 0.664146 H\n0.078499 0.583872 0.918453 H\n0.291697 0.614782 0.077615 H\n0.185100 0.645316 0.492965 H\n0.338975 0.650743 0.409216 H\n0.709599 0.654392 0.050495 H\n0.944924 0.702664 0.262428 H\n0.013581 0.712830 0.674331 H\n0.966317 0.717635 0.899250 H\n0.403366 0.746581 0.108192 H\n0.403366 0.753419 0.608192 H\n0.966317 0.782365 0.399250 H\n0.013581 0.787170 0.174331 H\n0.944924 0.797336 0.762428 H\n0.709599 0.845608 0.550495 H\n0.338975 0.849257 0.909216 H\n0.185100 0.854684 0.992965 H\n0.291697 0.885218 0.577615 H\n0.078499 0.916128 0.418453 H\n0.673938 0.942482 0.164146 H\n0.860643 0.962276 0.561910 H\n0.616559 0.963793 0.271519 H\n0.334394 0.006190 0.976685 C\n0.603655 0.115012 0.198312 C\n0.938265 0.136250 0.791787 C\n0.938265 0.363750 0.291787 C\n0.603655 0.384988 0.698312 C\n0.334394 0.493810 0.476685 C\n0.665606 0.506190 0.976685 C\n0.396345 0.615012 0.198312 C\n0.061735 0.636250 0.791787 C\n0.061735 0.863750 0.291787 C\n0.396345 0.884988 0.698312 C\n0.665606 0.993810 0.476685 C\n0.832083 0.015721 0.745750 S\n0.496645 0.079439 0.921108 S\n0.510493 0.207384 0.275242 S\n0.510493 0.292616 0.775242 S\n0.496645 0.420561 0.421108 S\n0.832083 0.484279 0.245750 S\n0.167917 0.515721 0.745750 S\n0.503355 0.579439 0.921108 S\n0.489507 0.707384 0.275242 S\n0.489507 0.792616 0.775242 S\n0.503355 0.920561 0.421108 S\n0.167917 0.984279 0.245750 S\n0.157136 0.128509 0.522738 S\n0.157136 0.371491 0.022738 S\n0.842864 0.628509 0.522738 S\n0.842864 0.871491 0.022738 S\n0.643142 0.000523 0.213159 N\n0.253392 0.068147 0.037322 N\n0.713413 0.106540 0.460097 N\n0.959673 0.148210 0.875844 N\n0.640954 0.163016 0.122447 N\n0.000010 0.220389 0.739263 N\n0.000010 0.279611 0.239263 N\n0.640954 0.336984 0.622447 N\n0.959673 0.351790 0.375844 N\n0.713413 0.393460 0.960097 N\n0.253392 0.431853 0.537322 N\n0.643142 0.499477 0.713159 N\n0.356858 0.500523 0.213159 N\n0.746608 0.568147 0.037322 N\n0.286587 0.606540 0.460097 N\n0.040327 0.648210 0.875844 N\n0.359046 0.663016 0.122447 N\n0.999990 0.720389 0.739263 N\n0.999990 0.779611 0.239263 N\n0.359046 0.836984 0.622447 N\n0.040327 0.851790 0.375844 N\n0.286587 0.893460 0.960097 N\n0.746608 0.931853 0.537322 N\n0.356858 0.999477 0.713159 N\n0.875978 0.002744 0.029552 O\n0.186297 0.159853 0.428509 O\n0.310953 0.164306 0.572553 O\n0.003510 0.198531 0.550077 O\n0.003510 0.301469 0.050077 O\n0.310953 0.335694 0.072553 O\n0.186297 0.340147 0.928509 O\n0.875978 0.497256 0.529552 O\n0.124022 0.502744 0.029552 O\n0.813703 0.659853 0.428509 O\n0.689047 0.664306 0.572553 O\n0.996490 0.698531 0.550077 O\n0.996490 0.801469 0.050077 O\n0.689047 0.835694 0.072553 O\n0.813703 0.840147 0.928509 O\n0.124022 0.997256 0.529552 O\n",
"nsites": 120,
"nelements": 6,
"elements": [
"Zn",
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S-Zn",
"density": 1.9104475827081087,
"density_atomic": 0.0885375232744793,
"volume": 1355.3575429028258,
"volume_molar": 6.801794919573797,
"formula_full": "Zn4 H48 C12 S16 N24 O16",
"formula_reduced": "ZnH12C3S4(N3O2)2",
"formula_anonymous": "AB3C4D4E6F12",
"energy": -703.7519606999999,
"energy_per_atom": -5.8645996725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -684.0959607,
"band_gap": 3.8674,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009544,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.982000Z",
"spacegroup": 29
},
{
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"formula_full": "Ba6 Nd3 Ti1 Cu6 Mo2 O24",
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},
{
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"structure_string": "Na2 Ca29 Zr1 Si16 O56 F16\n1.0\n7.750275 0.000000 0.000000\n0.283484 11.377402 0.000000\n1.907185 1.569571 20.074066\nNa Ca Zr Si O F\n2 29 1 16 56 16\ndirect\n0.848981 0.136926 0.444563 Na\n0.369249 0.625318 0.302906 Na\n0.162479 0.577670 0.924018 Ca\n0.354545 0.005259 0.661365 Ca\n0.327885 0.727116 0.782789 Ca\n0.410975 0.118646 0.956790 Ca\n0.607888 0.861001 0.521645 Ca\n0.685862 0.353150 0.712827 Ca\n0.711439 0.923896 0.820349 Ca\n0.838539 0.991307 0.157900 Ca\n0.583380 0.425852 0.912069 Ca\n0.840037 0.648344 0.184016 Ca\n0.912332 0.602618 0.576617 Ca\n0.794527 0.082821 0.633455 Ca\n0.097627 0.848980 0.010423 Ca\n0.808560 0.598323 0.782875 Ca\n0.133853 0.421539 0.226527 Ca\n0.901221 0.132996 0.989774 Ca\n0.161021 0.897939 0.323192 Ca\n0.091976 0.453572 0.426390 Ca\n0.102567 0.915952 0.536762 Ca\n0.189813 0.378225 0.756000 Ca\n0.424782 0.548913 0.100934 Ca\n0.137421 0.001342 0.830998 Ca\n0.282068 0.079838 0.187336 Ca\n0.429744 0.181884 0.493617 Ca\n0.395587 0.533253 0.589944 Ca\n0.572042 0.871695 0.054013 Ca\n0.619660 0.353105 0.248108 Ca\n0.629260 0.995944 0.327710 Ca\n0.870084 0.386581 0.079971 Ca\n0.639933 0.506739 0.405018 Zr\n0.457639 0.126474 0.773473 Si\n0.537475 0.734341 0.910849 Si\n0.750044 0.350629 0.514656 Si\n0.670061 0.772155 0.660089 Si\n0.963564 0.156244 0.271731 Si\n0.936111 0.739924 0.422479 Si\n0.767398 0.196227 0.863827 Si\n0.781255 0.622139 0.010528 Si\n0.245701 0.352553 0.998315 Si\n0.228638 0.784796 0.144559 Si\n0.022696 0.312330 0.618606 Si\n0.991071 0.841780 0.716781 Si\n0.226045 0.143733 0.377857 Si\n0.293661 0.684634 0.464307 Si\n0.485578 0.247653 0.102593 Si\n0.512023 0.865421 0.223595 Si\n0.078164 0.270986 0.017655 O\n0.265077 0.184372 0.785920 O\n0.214722 0.804101 0.886719 O\n0.228559 0.477363 0.033702 O\n0.340021 0.808292 0.939617 O\n0.293762 0.377148 0.918460 O\n0.679172 0.221243 0.541048 O\n0.628882 0.685769 0.602194 O\n0.430581 0.982012 0.780128 O\n0.602715 0.727023 0.736302 O\n0.559993 0.166829 0.701146 O\n0.455548 0.610428 0.892389 O\n0.574612 0.155463 0.835548 O\n0.756532 0.184499 0.280977 O\n0.603375 0.705681 0.991100 O\n0.880621 0.843387 0.369167 O\n0.590388 0.449496 0.513863 O\n0.878125 0.070373 0.864375 O\n0.907691 0.771161 0.500802 O\n0.826942 0.361715 0.435697 O\n0.609469 0.906254 0.636838 O\n0.913802 0.395863 0.553958 O\n0.894925 0.772215 0.658208 O\n0.125808 0.584169 0.148533 O\n0.996444 0.018497 0.251271 O\n0.161164 0.411004 0.634447 O\n0.953546 0.774346 0.791452 O\n0.149753 0.668085 0.202153 O\n0.860087 0.284871 0.795432 O\n0.089369 0.233170 0.216321 O\n0.863781 0.605331 0.419123 O\n0.904377 0.972965 0.723146 O\n0.926737 0.398220 0.816804 O\n0.033917 0.176359 0.346655 O\n0.160774 0.728927 0.404309 O\n0.333717 0.065605 0.322267 O\n0.321265 0.784781 0.514908 O\n0.155286 0.206762 0.571424 O\n0.048939 0.853519 0.126733 O\n0.197717 0.569726 0.505908 O\n0.104167 0.088748 0.608139 O\n0.429314 0.279813 0.021049 O\n0.199013 0.841014 0.694178 O\n0.302470 0.866604 0.204550 O\n0.582621 0.365957 0.120913 O\n0.493001 0.819330 0.300800 O\n0.533237 0.353135 0.369517 O\n0.565244 0.005024 0.213242 O\n0.397445 0.447037 0.379950 O\n0.483537 0.650140 0.427996 O\n0.736180 0.595001 0.091032 O\n0.655520 0.147924 0.074462 O\n0.784525 0.495429 0.976846 O\n0.826009 0.175159 0.099686 O\n0.647766 0.802561 0.169333 O\n0.959264 0.691013 0.988271 O\n0.155107 0.035881 0.944800 F\n0.443964 0.452399 0.690369 F\n0.597321 0.042781 0.434512 F\n0.596053 0.454495 0.801910 F\n0.859042 0.436608 0.194403 F\n0.603173 0.977448 0.953607 F\n0.837032 0.997238 0.533593 F\n0.836906 0.520225 0.683447 F\n0.088617 0.495853 0.320026 F\n0.131394 0.013623 0.431085 F\n0.352569 0.009255 0.060677 F\n0.164447 0.563411 0.804158 F\n0.408328 0.487200 0.219740 F\n0.391932 0.005967 0.547247 F\n0.688015 0.548858 0.297961 F\n0.846133 0.949079 0.040654 F\n",
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],
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"formula_full": "Na2 Ca29 Zr1 Si16 O56 F16",
"formula_reduced": "Na2Ca29ZrSi16(O7F2)8",
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},
{
"id": "mp-1234713",
"created_at": "2022-09-04T14:40:14.313670Z",
"structure_string": "Rb4 Mg1 V4 Cu2 P4 O24\n1.0\n5.349504 0.056924 0.012303\n-0.534146 9.778584 -0.045756\n0.024539 -0.057392 11.397343\nRb Mg V Cu P O\n4 1 4 2 4 24\ndirect\n0.465473 0.098958 0.340366 Rb\n0.546171 0.825425 0.648044 Rb\n0.572482 0.397142 0.879971 Rb\n0.449591 0.623190 0.153345 Rb\n0.055169 0.994807 0.613794 Mg\n0.083760 0.752570 0.895954 V\n0.941439 0.246009 0.107964 V\n0.941160 0.746394 0.393462 V\n0.034387 0.262608 0.608359 V\n0.510873 0.006008 0.001868 Cu\n0.502232 0.500121 0.493579 Cu\n0.050211 0.098899 0.859389 P\n0.980404 0.919492 0.138750 P\n0.967611 0.415367 0.357868 P\n0.023428 0.583526 0.641352 P\n0.054360 0.070514 0.173631 O\n0.052098 0.318261 0.259361 O\n0.106635 0.867827 0.493177 O\n0.639351 0.277338 0.117403 O\n0.820704 0.143372 0.558978 O\n0.919023 0.641787 0.975148 O\n0.862801 0.109831 0.963485 O\n0.938360 0.437071 0.682025 O\n0.973314 0.690038 0.740366 O\n0.848136 0.621937 0.539889 O\n0.684397 0.397218 0.380858 O\n0.118576 0.366205 0.469425 O\n0.064598 0.825892 0.236692 O\n0.146030 0.887009 0.025398 O\n0.637546 0.769076 0.372091 O\n0.325867 0.116590 0.895066 O\n0.085436 0.358745 0.020884 O\n0.698367 0.899821 0.111729 O\n0.292242 0.167166 0.608269 O\n0.375742 0.702841 0.886860 O\n0.008362 0.955716 0.791839 O\n0.303594 0.587867 0.610612 O\n0.057402 0.563402 0.328865 O\n0.975168 0.212294 0.773885 O\n",
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},
{
"id": "mp-1236434",
"created_at": "2022-09-04T14:47:28.981384Z",
"structure_string": "Sr4 Li1 Mn2 Cu3 S4 O4\n1.0\n-4.037972 4.317452 -0.000371\n-4.029744 -4.309507 0.001493\n-2.020243 2.156811 8.876700\nSr Li Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.455293 0.965575 0.167885 Sr\n0.877047 0.534023 0.167629 Sr\n0.089477 0.520360 0.789404 Sr\n0.620834 0.979663 0.790020 Sr\n0.120269 0.249970 0.260420 Li\n0.501056 0.484979 0.969158 Mn\n0.030061 0.015005 0.968861 Mn\n0.502475 0.249360 0.497768 Cu\n0.502018 0.749422 0.497204 Cu\n0.984081 0.251618 0.525885 Cu\n0.175278 0.014825 0.666857 S\n0.657448 0.486414 0.667313 S\n0.325587 0.495309 0.371169 S\n0.803987 0.003570 0.369848 S\n0.219950 0.249909 0.060146 O\n0.753841 0.750067 0.992291 O\n0.757983 0.250011 0.984045 O\n0.258730 0.749919 0.982668 O\n",
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}
]
}