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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=118",
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"results": [
{
"id": "mp-1173973",
"created_at": "2022-09-04T14:47:19.261377Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n4.978392 -0.072556 1.252120\n1.319238 4.975739 2.823659\n0.488209 0.200670 5.848738\nLi Mn Co O\n5 2 1 8\ndirect\n0.500001 0.249998 0.250002 Li\n0.004530 0.498749 0.998744 Li\n0.995470 0.001247 0.501260 Li\n0.500000 0.749998 0.750003 Li\n0.500000 0.249999 0.750002 Li\n0.999998 0.000650 0.999426 Mn\n0.000002 0.499352 0.500573 Mn\n0.500000 0.750000 0.250001 Co\n0.781937 0.367100 0.866875 O\n0.245156 0.617723 0.592698 O\n0.245105 0.092817 0.117674 O\n0.774097 0.869290 0.369166 O\n0.218063 0.132904 0.633119 O\n0.754894 0.407183 0.382326 O\n0.754843 0.882277 0.907302 O\n0.225904 0.630714 0.130829 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.93740635744669,
"density_atomic": 0.11444192770318866,
"volume": 139.80889977226587,
"volume_molar": 5.262180462058231,
"formula_full": "Li5 Mn2 Co1 O8",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy": -106.98075106,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:05.560000Z",
"spacegroup": 12
},
{
"id": "mp-1019082",
"created_at": "2022-09-04T14:48:03.427670Z",
"structure_string": "Ru2 N4\n1.0\n4.421422 0.000000 0.000000\n0.000000 4.421422 0.000000\n0.000000 0.000000 2.681938\nRu N\n2 4\ndirect\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.000000 Ru\n0.894403 0.394403 0.500000 N\n0.105597 0.605597 0.500000 N\n0.394403 0.105597 0.500000 N\n0.605597 0.894403 0.500000 N\n",
"nsites": 6,
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"elements": [
"Ru",
"N"
],
"chemical_system": "N-Ru",
"density": 8.176676572614147,
"density_atomic": 0.11444019282020795,
"volume": 52.42913221429416,
"volume_molar": 5.2622602353188315,
"formula_full": "Ru2 N4",
"formula_reduced": "RuN2",
"formula_anonymous": "AB2",
"energy": -48.21836609,
"energy_per_atom": -8.036394348333333,
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"updated_at": "2021-11-28T01:38:22.766000Z",
"spacegroup": 127
},
{
"id": "mp-1302354",
"created_at": "2022-09-04T14:40:23.139897Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n2.808765 0.176460 0.670419\n-1.980192 7.585958 5.871972\n-0.963098 -7.722987 6.377401\nLi Mn Co O\n10 4 2 16\ndirect\n0.999998 0.499998 0.250001 Li\n0.499995 0.999997 0.750002 Li\n0.001914 0.240224 0.865791 Li\n0.501140 0.740793 0.364826 Li\n0.498852 0.259207 0.135166 Li\n0.998078 0.759774 0.634203 Li\n0.488098 0.759737 0.870898 Li\n0.989508 0.256784 0.367770 Li\n0.010485 0.743217 0.132223 Li\n0.511892 0.240265 0.629095 Li\n0.998021 0.999898 0.996489 Mn\n0.002004 0.000102 0.503511 Mn\n0.490424 0.497956 0.489896 Mn\n0.509577 0.502038 0.010100 Mn\n0.499998 0.000000 0.250002 Co\n0.999997 0.500001 0.750005 Co\n0.502570 0.113780 0.951062 O\n0.993872 0.612824 0.446522 O\n0.006132 0.387174 0.053482 O\n0.497440 0.886221 0.548944 O\n0.014689 0.609234 0.944221 O\n0.505260 0.104805 0.433752 O\n0.494747 0.895197 0.066252 O\n0.985316 0.390763 0.555779 O\n0.505977 0.618663 0.174841 O\n0.005153 0.117387 0.669590 O\n0.494023 0.381335 0.325157 O\n0.994849 0.882624 0.830419 O\n0.475683 0.613362 0.685355 O\n0.002698 0.107546 0.190187 O\n0.524313 0.386635 0.814646 O\n0.997297 0.892457 0.309816 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9370820505714392,
"density_atomic": 0.11443250162403863,
"volume": 279.6408323321826,
"volume_molar": 5.262613920462384,
"formula_full": "Li10 Mn4 Co2 O16",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy": -213.52518505,
"energy_per_atom": -6.6726620328125,
"energy_above_hull": null,
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"energy_uncorrected": -192.58518505,
"band_gap": 0.4559999999999999,
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"is_magnetic": true,
"total_magnetization": 4.1052021,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.620000Z",
"spacegroup": 2
},
{
"id": "mp-777775",
"created_at": "2022-09-04T14:45:58.997005Z",
"structure_string": "Ag4 H56 O32\n1.0\n16.720507 0.000000 0.000000\n0.000000 6.889336 0.000000\n0.000000 0.329795 6.979342\nAg H O\n4 56 32\ndirect\n0.254425 0.026064 0.466001 Ag\n0.245575 0.526064 0.466001 Ag\n0.754425 0.473936 0.533999 Ag\n0.745575 0.973936 0.533999 Ag\n0.086153 0.177294 0.023916 H\n0.413847 0.677294 0.023916 H\n0.886471 0.314994 0.075675 H\n0.873935 0.080966 0.101551 H\n0.613529 0.814994 0.075675 H\n0.626065 0.580966 0.101551 H\n0.277508 0.281383 0.132575 H\n0.222492 0.781383 0.132575 H\n0.047188 0.335365 0.166166 H\n0.452812 0.835365 0.166166 H\n0.549423 0.151070 0.200184 H\n0.180041 0.272339 0.195391 H\n0.950577 0.651070 0.200184 H\n0.646577 0.316872 0.216269 H\n0.319959 0.772339 0.195391 H\n0.853423 0.816872 0.216269 H\n0.781960 0.226966 0.249658 H\n0.718040 0.726966 0.249658 H\n0.443783 0.078137 0.351990 H\n0.082451 0.075159 0.365117 H\n0.941597 0.467108 0.346877 H\n0.056217 0.578137 0.351990 H\n0.417549 0.575159 0.365117 H\n0.558403 0.967108 0.346877 H\n0.586078 0.458553 0.399122 H\n0.913922 0.958553 0.399122 H\n0.405116 0.259306 0.454262 H\n0.094884 0.759306 0.454262 H\n0.905116 0.240694 0.545738 H\n0.594884 0.740694 0.545738 H\n0.086078 0.041447 0.600878 H\n0.413922 0.541447 0.600878 H\n0.441597 0.032892 0.653123 H\n0.582451 0.424841 0.634883 H\n0.943783 0.421863 0.648010 H\n0.058403 0.532892 0.653123 H\n0.917549 0.924841 0.634883 H\n0.556217 0.921863 0.648010 H\n0.281960 0.273034 0.750342 H\n0.218040 0.773034 0.750342 H\n0.146577 0.183128 0.783731 H\n0.680041 0.227661 0.804609 H\n0.353423 0.683128 0.783731 H\n0.049423 0.348930 0.799816 H\n0.819959 0.727661 0.804609 H\n0.450577 0.848930 0.799816 H\n0.547188 0.164635 0.833834 H\n0.952812 0.664635 0.833834 H\n0.777508 0.218617 0.867425 H\n0.722492 0.718617 0.867425 H\n0.373935 0.419034 0.898449 H\n0.386471 0.185006 0.924325 H\n0.126065 0.919034 0.898449 H\n0.113529 0.685006 0.924325 H\n0.586153 0.322706 0.976084 H\n0.913847 0.822706 0.976084 H\n0.846299 0.212775 0.060267 O\n0.653701 0.712775 0.060267 O\n0.087353 0.230618 0.163427 O\n0.595614 0.378430 0.175476 O\n0.412647 0.730618 0.163427 O\n0.904386 0.878430 0.175476 O\n0.531273 0.012355 0.222975 O\n0.968727 0.512355 0.222975 O\n0.238472 0.280188 0.242620 O\n0.261528 0.780188 0.242620 O\n0.739430 0.230049 0.351577 O\n0.760570 0.730049 0.351577 O\n0.403655 0.112088 0.449826 O\n0.096345 0.612088 0.449826 O\n0.401645 0.484684 0.473406 O\n0.098355 0.984684 0.473406 O\n0.901645 0.015316 0.526594 O\n0.598355 0.515316 0.526594 O\n0.903655 0.387912 0.550174 O\n0.596345 0.887912 0.550174 O\n0.239430 0.269951 0.648423 O\n0.260570 0.769951 0.648423 O\n0.738472 0.219812 0.757380 O\n0.761528 0.719812 0.757380 O\n0.031273 0.487645 0.777025 O\n0.468727 0.987645 0.777025 O\n0.095614 0.121570 0.824524 O\n0.587353 0.269382 0.836573 O\n0.404386 0.621570 0.824524 O\n0.912647 0.769382 0.836573 O\n0.346299 0.287225 0.939733 O\n0.153701 0.787225 0.939733 O\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Ag",
"H",
"O"
],
"chemical_system": "Ag-H-O",
"density": 2.0652071174497344,
"density_atomic": 0.11443174984489797,
"volume": 803.9726747576419,
"volume_molar": 5.262648494113281,
"formula_full": "Ag4 H56 O32",
"formula_reduced": "Ag(H7O4)2",
"formula_anonymous": "AB8C14",
"energy": -464.5007902,
"energy_per_atom": -5.048921632608695,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -442.5167902,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.889000Z",
"spacegroup": 14
},
{
"id": "mp-768712",
"created_at": "2022-09-04T14:41:03.514959Z",
"structure_string": "Li8 Mn2 Cr2 O12\n1.0\n5.002307 -0.022827 0.014532\n2.475170 4.347485 -0.014287\n-0.801507 1.386638 9.610169\nLi Mn Cr O\n8 2 2 12\ndirect\n0.000618 0.499907 0.000050 Li\n0.499960 0.000589 0.499948 Li\n0.247117 0.247097 0.749998 Li\n0.753243 0.753295 0.249991 Li\n0.150620 0.670479 0.499160 Li\n0.329073 0.849320 0.999267 Li\n0.670446 0.150627 0.000853 Li\n0.849346 0.329022 0.500724 Li\n0.917729 0.917716 0.749997 Mn\n0.081731 0.081969 0.249981 Mn\n0.421188 0.421119 0.250016 Cr\n0.579489 0.579447 0.749997 Cr\n0.145934 0.353776 0.363652 O\n0.353799 0.145920 0.136353 O\n0.646397 0.854071 0.863453 O\n0.854092 0.646390 0.636541 O\n0.287039 0.574325 0.861318 O\n0.574325 0.287046 0.638678 O\n0.425608 0.712539 0.361269 O\n0.712475 0.425544 0.138760 O\n0.065724 0.792998 0.136566 O\n0.207338 0.933739 0.636914 O\n0.792967 0.065761 0.363440 O\n0.933743 0.207305 0.863072 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.6528944685038574,
"density_atomic": 0.11442790558411031,
"volume": 209.73904815865728,
"volume_molar": 5.262825295332721,
"formula_full": "Li8 Mn2 Cr2 O12",
"formula_reduced": "Li4MnCrO6",
"formula_anonymous": "ABC4D6",
"energy": -166.11761261,
"energy_per_atom": -6.921567192083334,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:08.931000Z",
"spacegroup": 15
},
{
"id": "mp-1175705",
"created_at": "2022-09-04T14:42:19.839352Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.812236 -0.117079 1.802460\n2.101297 9.854100 -2.309549\n-0.243645 -0.146090 5.823328\nLi Mn Co O\n9 2 5 16\ndirect\n0.499273 0.122157 0.928349 Li\n0.505251 0.371838 0.312317 Li\n0.498115 0.620509 0.691469 Li\n0.494220 0.881489 0.081443 Li\n0.497334 0.123948 0.443550 Li\n0.502181 0.372837 0.807496 Li\n0.498740 0.623000 0.181796 Li\n0.505242 0.884673 0.556072 Li\n0.998391 0.002141 0.498118 Li\n0.992125 0.002196 0.003331 Mn\n0.004626 0.752261 0.627091 Mn\n0.998557 0.248777 0.370797 Co\n0.008003 0.498233 0.750636 Co\n0.003339 0.751022 0.132548 Co\n0.997690 0.250344 0.865038 Co\n0.999464 0.500225 0.250403 Co\n0.226340 0.065818 0.737639 O\n0.201829 0.312530 0.094144 O\n0.233383 0.569062 0.495511 O\n0.219028 0.813705 0.851245 O\n0.213189 0.066078 0.206226 O\n0.243144 0.323279 0.596911 O\n0.225614 0.568153 0.999994 O\n0.225345 0.803475 0.347543 O\n0.750377 0.173451 0.141227 O\n0.777580 0.435626 0.506707 O\n0.791239 0.683703 0.905631 O\n0.770639 0.930050 0.259893 O\n0.785627 0.197895 0.648959 O\n0.770511 0.434258 0.009597 O\n0.787781 0.689594 0.412607 O\n0.775823 0.927675 0.785709 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.292955112963038,
"density_atomic": 0.11442424383163555,
"volume": 279.66101350938334,
"volume_molar": 5.262993713868025,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.5168659,
"energy_per_atom": -6.547402059375,
"energy_above_hull": null,
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"energy_uncorrected": -186.9988659,
"band_gap": 0.6844999999999999,
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"is_magnetic": true,
"total_magnetization": 9.9999647,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.162000Z",
"spacegroup": 1
},
{
"id": "mp-1373337",
"created_at": "2022-09-04T14:43:08.738252Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.140057 0.000000 0.000000\n-1.817284 5.539796 0.000000\n-0.932938 -3.086075 9.821329\nLi Mn Co O\n9 2 5 16\ndirect\n0.378571 0.806193 0.122157 Li\n0.122912 0.940480 0.371838 Li\n0.881377 0.070960 0.620509 Li\n0.624292 0.199955 0.881489 Li\n0.378718 0.319601 0.123948 Li\n0.124982 0.434660 0.372837 Li\n0.878260 0.558796 0.623000 Li\n0.610085 0.671399 0.884673 Li\n0.999468 0.495977 0.002141 Li\n0.005679 0.001135 0.002196 Mn\n0.243112 0.874830 0.752261 Mn\n0.752666 0.122020 0.248777 Co\n0.493764 0.252403 0.498233 Co\n0.245639 0.381526 0.751022 Co\n0.751966 0.614694 0.250344 Co\n0.500311 0.750178 0.500225 Co\n0.707842 0.671821 0.065818 O\n0.485641 0.781614 0.312530 O\n0.197555 0.926449 0.569062 O\n0.967266 0.037540 0.813705 O\n0.720733 0.140148 0.066078 O\n0.433577 0.273631 0.323279 O\n0.206233 0.431840 0.568153 O\n0.971180 0.544069 0.803475 O\n0.076172 0.967777 0.173451 O\n0.786794 0.071081 0.435626 O\n0.525058 0.221928 0.683703 O\n0.299311 0.329843 0.930050 O\n0.016478 0.451065 0.197895 O\n0.795231 0.575340 0.434258 O\n0.522625 0.723013 0.689594 O\n0.296502 0.858034 0.927675 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.292954720366958,
"density_atomic": 0.11442423336739624,
"volume": 279.6610390847329,
"volume_molar": 5.262994195175385,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -176.79809059,
"energy_per_atom": -5.5249403309375,
"energy_above_hull": null,
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"energy_uncorrected": -154.28009059,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.068000Z",
"spacegroup": 1
},
{
"id": "mp-1174006",
"created_at": "2022-09-04T14:41:05.884550Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n-1.016729 4.811381 -1.151629\n-4.831754 -0.417433 5.991815\n5.329793 -0.109497 5.486400\nLi Mn Co O\n10 4 2 16\ndirect\n0.001516 0.876431 0.374644 Li\n0.998487 0.373568 0.875356 Li\n0.507132 0.700141 0.430947 Li\n0.506142 0.197118 0.933816 Li\n0.493860 0.052882 0.316183 Li\n0.492868 0.549860 0.819053 Li\n0.501436 0.941524 0.685677 Li\n0.500538 0.439493 0.182133 Li\n0.498565 0.308475 0.564323 Li\n0.499461 0.810507 0.067865 Li\n0.996300 0.500719 0.499693 Mn\n0.003699 0.749281 0.750308 Mn\n0.007448 0.000427 0.003857 Mn\n0.992552 0.249574 0.246143 Mn\n0.000000 0.625000 0.125001 Co\n0.000000 0.125000 0.625000 Co\n0.235726 0.954557 0.851178 O\n0.222383 0.460849 0.342226 O\n0.764273 0.295443 0.398822 O\n0.777616 0.789151 0.907774 O\n0.228522 0.701800 0.603222 O\n0.226630 0.204914 0.102636 O\n0.773370 0.045087 0.147364 O\n0.771475 0.548198 0.646778 O\n0.232271 0.850561 0.205019 O\n0.215989 0.340720 0.697117 O\n0.784011 0.909279 0.552883 O\n0.767730 0.399439 0.044981 O\n0.214838 0.106673 0.462555 O\n0.223074 0.602519 0.962748 O\n0.785162 0.143327 0.787445 O\n0.776925 0.647482 0.287252 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
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{
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