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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=103",
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"results": [
{
"id": "mp-1216084",
"created_at": "2022-09-04T14:40:03.305500Z",
"structure_string": "Zn1 Cu7 C4 O20\n1.0\n0.046718 -0.005952 3.106101\n8.916303 0.007457 -1.122675\n-0.003386 12.330675 -0.012791\nZn Cu C O\n1 7 4 20\ndirect\n0.400857 0.726908 0.102664 Zn\n0.924592 0.996954 0.221829 Cu\n0.087179 0.499461 0.716313 Cu\n0.080053 0.002993 0.779923 Cu\n0.913100 0.499452 0.284968 Cu\n0.593728 0.767069 0.612582 Cu\n0.595885 0.268117 0.887026 Cu\n0.409499 0.231868 0.386867 Cu\n0.479027 0.771888 0.370718 C\n0.522942 0.730172 0.861908 C\n0.519660 0.229918 0.631879 C\n0.477776 0.270469 0.134819 C\n0.312554 0.632641 0.372590 O\n0.678556 0.870083 0.864753 O\n0.672231 0.370497 0.631148 O\n0.320478 0.130588 0.133787 O\n0.934382 0.869243 0.103183 O\n0.073652 0.633988 0.597041 O\n0.071846 0.135293 0.900475 O\n0.927731 0.365772 0.402391 O\n0.645843 0.835367 0.454667 O\n0.350574 0.664508 0.943185 O\n0.359378 0.164343 0.548954 O\n0.641964 0.335278 0.052201 O\n0.880858 0.607323 0.160369 O\n0.106063 0.888986 0.656237 O\n0.109845 0.387885 0.842252 O\n0.898421 0.110802 0.344862 O\n0.482065 0.844951 0.278193 O\n0.533544 0.656692 0.768515 O\n0.521383 0.156795 0.725222 O\n0.474336 0.343697 0.228477 O\n",
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"elements": [
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"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O-Zn",
"density": 4.262505457463034,
"density_atomic": 0.09352804045984968,
"volume": 342.14338120060546,
"volume_molar": 6.4388612552887,
"formula_full": "Zn1 Cu7 C4 O20",
"formula_reduced": "ZnCu7(CO5)4",
"formula_anonymous": "AB4C7D20",
"energy": -201.2727774,
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"updated_at": "2021-11-28T01:34:47.505000Z",
"spacegroup": 1
},
{
"id": "mp-677659",
"created_at": "2022-09-04T14:40:03.354747Z",
"structure_string": "Sr7 La7 Cu7 Ru7 O42\n1.0\n5.562907 0.000000 0.000000\n2.678944 4.888215 0.000000\n2.281669 1.350873 32.318708\nSr La Cu Ru O\n7 7 7 7 42\ndirect\n0.676041 0.677678 0.968420 Sr\n0.394566 0.393202 0.820425 Sr\n0.110456 0.111716 0.680130 Sr\n0.034343 0.035614 0.893741 Sr\n0.826888 0.826027 0.536215 Sr\n0.542340 0.540623 0.393452 Sr\n0.252714 0.254884 0.251736 Sr\n0.755053 0.758612 0.751911 La\n0.474424 0.475250 0.607781 La\n0.187626 0.188010 0.465750 La\n0.973320 0.964506 0.101528 La\n0.902961 0.905375 0.323012 La\n0.614492 0.607972 0.179359 La\n0.314535 0.328477 0.033419 La\n0.009533 0.987487 0.000744 Cu\n0.082593 0.071362 0.787056 Cu\n0.795392 0.792688 0.643995 Cu\n0.507173 0.510211 0.501021 Cu\n0.224537 0.223510 0.358264 Cu\n0.932045 0.935811 0.214878 Cu\n0.647047 0.637964 0.070978 Cu\n0.713442 0.714493 0.857760 Ru\n0.431645 0.432651 0.714203 Ru\n0.358334 0.356758 0.928514 Ru\n0.861660 0.860450 0.428927 Ru\n0.146890 0.146762 0.572224 Ru\n0.573683 0.577208 0.285700 Ru\n0.290083 0.285175 0.143348 Ru\n0.173692 0.710667 0.954576 O\n0.592764 0.477858 0.893019 O\n0.077669 0.513156 0.884669 O\n0.623371 0.208613 0.972909 O\n0.860982 0.454448 0.812684 O\n0.129792 0.245509 0.964507 O\n0.330090 0.172164 0.747369 O\n0.557112 0.994029 0.902082 O\n0.777640 0.239460 0.741716 O\n0.358667 0.898021 0.832370 O\n0.569308 0.174401 0.667679 O\n0.825374 0.945649 0.822119 O\n0.045228 0.883389 0.604598 O\n0.262042 0.702374 0.757140 O\n0.500554 0.942024 0.597710 O\n0.052610 0.616457 0.691490 O\n0.282513 0.886001 0.525350 O\n0.537100 0.663716 0.677860 O\n0.760869 0.598828 0.461594 O\n0.977725 0.411201 0.615268 O\n0.213482 0.657725 0.454719 O\n0.773112 0.327757 0.547952 O\n0.996627 0.601473 0.382121 O\n0.254925 0.372604 0.535371 O\n0.471715 0.314056 0.318313 O\n0.693477 0.127440 0.471802 O\n0.922072 0.374463 0.312299 O\n0.485613 0.041130 0.405480 O\n0.709922 0.310743 0.239100 O\n0.967238 0.088092 0.391968 O\n0.194119 0.025390 0.174836 O\n0.407034 0.843189 0.328681 O\n0.662716 0.088539 0.164344 O\n0.195830 0.757661 0.262528 O\n0.428368 0.034442 0.095710 O\n0.677083 0.798498 0.247326 O\n0.883618 0.761547 0.037938 O\n0.135997 0.546909 0.187019 O\n0.349540 0.799450 0.030940 O\n0.916175 0.473517 0.118926 O\n0.386908 0.536284 0.108423 O\n0.845515 0.280650 0.043008 O\n",
"nsites": 70,
"nelements": 5,
"elements": [
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"La",
"Cu",
"Ru",
"O"
],
"chemical_system": "Cu-La-O-Ru-Sr",
"density": 6.44307134996113,
"density_atomic": 0.07965113163876579,
"volume": 878.8324605036919,
"volume_molar": 7.560646830871962,
"formula_full": "Sr7 La7 Cu7 Ru7 O42",
"formula_reduced": "SrLaCuRuO6",
"formula_anonymous": "ABCDE6",
"energy": -510.87504793,
"energy_per_atom": -7.298214970428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -482.02104793,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.0461322,
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"updated_at": "2021-11-28T01:34:50.487000Z",
"spacegroup": 1
},
{
"id": "mp-1176228",
"created_at": "2022-09-04T14:40:03.372183Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.950480 0.000000 0.000000\n-0.095329 5.150474 0.000000\n-0.520408 -1.402648 19.283070\nLi Mn Co O\n9 2 5 16\ndirect\n0.010764 0.626952 0.876705 Li\n0.512668 0.745896 0.745121 Li\n0.019500 0.866023 0.616882 Li\n0.502746 0.991887 0.503266 Li\n0.984288 0.129771 0.375613 Li\n0.494892 0.251518 0.252654 Li\n0.999826 0.375027 0.126941 Li\n0.499419 0.500192 0.002701 Li\n0.990837 0.506876 0.499566 Li\n0.006408 0.004802 0.001186 Mn\n0.995848 0.255463 0.749633 Mn\n0.511910 0.115903 0.876182 Co\n0.501193 0.387603 0.614561 Co\n0.488085 0.618153 0.379910 Co\n0.994410 0.738852 0.251629 Co\n0.502383 0.878096 0.127122 Co\n0.554218 0.824659 0.934460 O\n0.993546 0.965847 0.813154 O\n0.480396 0.095137 0.696964 O\n0.991814 0.191676 0.567139 O\n0.489377 0.348992 0.428877 O\n0.025647 0.453661 0.314335 O\n0.505658 0.578115 0.189573 O\n0.014531 0.712364 0.063035 O\n0.509898 0.411898 0.808993 O\n0.997015 0.533683 0.691532 O\n0.500388 0.675071 0.568113 O\n0.952294 0.804958 0.430407 O\n0.487306 0.899380 0.311872 O\n0.984212 0.041737 0.185922 O\n0.466520 0.178215 0.061128 O\n0.032008 0.291598 0.934821 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.097059043572836,
"density_atomic": 0.10920283829168984,
"volume": 293.0326766281051,
"volume_molar": 5.514637581043784,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.27623957,
"energy_per_atom": -6.4773824865625,
"energy_above_hull": null,
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"energy_uncorrected": -184.75823957,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 10.5629382,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.521000Z",
"spacegroup": 1
},
{
"id": "mp-755178",
"created_at": "2022-09-04T14:40:03.405984Z",
"structure_string": "Mn6 O4 F8\n1.0\n4.753425 0.000000 0.000000\n0.252818 5.820426 0.000000\n0.219410 0.381696 7.929074\nMn O F\n6 4 8\ndirect\n0.527021 0.510747 0.003595 Mn\n0.502867 0.830322 0.661170 Mn\n0.466023 0.185641 0.348108 Mn\n0.001916 0.337646 0.673609 Mn\n0.003160 0.651024 0.310552 Mn\n0.986002 0.989313 0.005698 Mn\n0.814793 0.696761 0.099839 O\n0.700729 0.539965 0.768719 O\n0.298313 0.131036 0.571525 O\n0.309687 0.472073 0.223696 O\n0.805964 0.360922 0.441659 F\n0.798694 0.044100 0.767763 F\n0.688461 0.191233 0.121802 F\n0.706977 0.861564 0.424531 F\n0.300563 0.804473 0.890391 F\n0.187645 0.630121 0.546756 F\n0.203726 0.967203 0.234276 F\n0.197460 0.295853 0.906313 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.129999451430438,
"density_atomic": 0.08205189508816006,
"volume": 219.37336097673344,
"volume_molar": 7.3394292155343335,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -135.23484156,
"energy_per_atom": -7.513046753333334,
"energy_above_hull": null,
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"energy_uncorrected": -118.78284156,
"band_gap": 0.0157,
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"updated_at": "2021-11-28T01:34:46.445000Z",
"spacegroup": 1
},
{
"id": "mp-676752",
"created_at": "2022-09-04T14:40:08.461005Z",
"structure_string": "Li20 Fe10 Cl40\n1.0\n7.270667 0.000000 0.000000\n3.628297 6.441935 0.000000\n3.014692 2.511479 29.980363\nLi Fe Cl\n20 10 40\ndirect\n0.445021 0.609885 0.009207 Li\n0.001444 0.491157 0.006054 Li\n0.807868 0.303736 0.100622 Li\n0.106070 0.089077 0.202016 Li\n0.399121 0.898512 0.300530 Li\n0.706048 0.688999 0.406246 Li\n0.990176 0.011474 0.499461 Li\n0.003365 0.496876 0.498151 Li\n0.106914 0.629748 0.677310 Li\n0.273225 0.359587 0.594205 Li\n0.602799 0.592277 0.695563 Li\n0.606264 0.107671 0.696662 Li\n0.805100 0.290347 0.595173 Li\n0.705677 0.218626 0.892249 Li\n0.874820 0.962152 0.798632 Li\n0.190402 0.208214 0.907332 Li\n0.204969 0.697019 0.902061 Li\n0.484313 0.935010 0.571743 Li\n0.083874 0.512623 0.782235 Li\n0.683787 0.117153 0.984475 Li\n0.805049 0.791503 0.105785 Fe\n0.284872 0.308585 0.103777 Fe\n0.602115 0.097538 0.201235 Fe\n0.897996 0.901852 0.299299 Fe\n0.204144 0.689046 0.399265 Fe\n0.399648 0.399206 0.299846 Fe\n0.488553 0.504429 0.493799 Fe\n0.097897 0.097035 0.699446 Fe\n0.414760 0.884780 0.804047 Fe\n0.682924 0.709595 0.895887 Fe\n0.672682 0.651174 0.053037 Cl\n0.954915 0.451220 0.149786 Cl\n0.142334 0.647950 0.055073 Cl\n0.150977 0.174619 0.055192 Cl\n0.457286 0.417451 0.150030 Cl\n0.272932 0.242938 0.248710 Cl\n0.454548 0.957102 0.150401 Cl\n0.560266 0.056464 0.343587 Cl\n0.747559 0.243784 0.250548 Cl\n0.645307 0.147103 0.059236 Cl\n0.930633 0.955053 0.152732 Cl\n0.741932 0.779544 0.250743 Cl\n0.060305 0.013805 0.347796 Cl\n0.880694 0.827797 0.444832 Cl\n0.054479 0.555434 0.346330 Cl\n0.238901 0.747371 0.253678 Cl\n0.165548 0.655794 0.542041 Cl\n0.355029 0.834890 0.446294 Cl\n0.527346 0.553762 0.349474 Cl\n0.342654 0.366375 0.447887 Cl\n0.661205 0.615145 0.545811 Cl\n0.450886 0.440564 0.651111 Cl\n0.632326 0.164185 0.549400 Cl\n0.825881 0.356979 0.453391 Cl\n0.957186 0.439765 0.653272 Cl\n0.770383 0.249390 0.745103 Cl\n0.140990 0.168814 0.551918 Cl\n0.938316 0.974473 0.651798 Cl\n0.273981 0.203303 0.749832 Cl\n0.068606 0.038350 0.849168 Cl\n0.366437 0.847076 0.944463 Cl\n0.238946 0.749958 0.751857 Cl\n0.553724 0.048000 0.849767 Cl\n0.435375 0.948433 0.655679 Cl\n0.544134 0.559039 0.849628 Cl\n0.747548 0.757606 0.754428 Cl\n0.861751 0.826210 0.945256 Cl\n0.840818 0.350029 0.948204 Cl\n0.033486 0.555754 0.856877 Cl\n0.367478 0.348583 0.948320 Cl\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Li",
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe-Li",
"density": 2.5015665721220572,
"density_atomic": 0.0498506195837413,
"volume": 1404.1951852255493,
"volume_molar": 12.08037294277504,
"formula_full": "Li20 Fe10 Cl40",
"formula_reduced": "Li2FeCl4",
"formula_anonymous": "AB2C4",
"energy": -300.45908688000003,
"energy_per_atom": -4.292272669714286,
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"energy_uncorrected": -275.89908688,
"band_gap": 0.0066999999999999,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:47.814000Z",
"spacegroup": 1
},
{
"id": "mp-1019573",
"created_at": "2022-09-04T14:40:03.467292Z",
"structure_string": "Ca4 Al8 Si4 O24\n1.0\n5.338146 0.000000 0.000000\n0.097965 8.738745 0.000000\n2.591142 0.036863 9.337826\nCa Al Si O\n4 8 4 24\ndirect\n0.744073 0.690980 0.000242 Ca\n0.245720 0.188324 0.502250 Ca\n0.253081 0.312295 0.000178 Ca\n0.755277 0.808808 0.498444 Ca\n0.076310 0.899469 0.715866 Al\n0.574481 0.402077 0.213132 Al\n0.428122 0.905192 0.284725 Al\n0.424925 0.595953 0.785500 Al\n0.746539 0.089300 0.999349 Al\n0.266545 0.594253 0.495335 Al\n0.250495 0.906724 0.001046 Al\n0.738936 0.408971 0.503147 Al\n0.922863 0.401201 0.790373 Si\n0.923322 0.098479 0.291383 Si\n0.574248 0.094205 0.708366 Si\n0.075210 0.596241 0.211305 Si\n0.981210 0.922717 0.905341 O\n0.061405 0.727844 0.628133 O\n0.382626 0.984455 0.644134 O\n0.473047 0.414165 0.402086 O\n0.557529 0.233321 0.122940 O\n0.881614 0.488225 0.146759 O\n0.516478 0.922355 0.096671 O\n0.456046 0.731987 0.366778 O\n0.118163 0.988697 0.356714 O\n0.003215 0.409889 0.611787 O\n0.948586 0.234203 0.862641 O\n0.631605 0.474148 0.857044 O\n0.016633 0.086681 0.113192 O\n0.937205 0.265227 0.365015 O\n0.632674 0.027087 0.353959 O\n0.530433 0.578077 0.598300 O\n0.438079 0.767521 0.871601 O\n0.117269 0.511500 0.852221 O\n0.483930 0.086951 0.885781 O\n0.551807 0.260936 0.635678 O\n0.866718 0.021802 0.646432 O\n0.992693 0.578352 0.389148 O\n0.053839 0.766230 0.143764 O\n0.367048 0.525160 0.143241 O\n",
"nsites": 40,
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"elements": [
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"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.3260227401341957,
"density_atomic": 0.09182790999870366,
"volume": 435.59741260107825,
"volume_molar": 6.558072333438728,
"formula_full": "Ca4 Al8 Si4 O24",
"formula_reduced": "CaAl2SiO6",
"formula_anonymous": "ABC2D6",
"energy": -315.56359856,
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"updated_at": "2021-11-28T01:34:46.373000Z",
"spacegroup": 1
},
{
"id": "mp-1174714",
"created_at": "2022-09-04T14:40:03.486564Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.945061 0.000000 0.000000\n1.080478 7.686889 0.000000\n1.365575 1.642477 11.054964\nLi Mn Co O\n8 2 4 14\ndirect\n0.764900 0.359854 0.078487 Li\n0.936512 0.785729 0.344854 Li\n0.068903 0.216030 0.641650 Li\n0.222357 0.640021 0.932225 Li\n0.370046 0.060526 0.214346 Li\n0.498053 0.500606 0.498539 Li\n0.641063 0.930017 0.785744 Li\n0.551262 0.721042 0.147705 Li\n0.002759 0.991518 0.007243 Mn\n0.280640 0.856253 0.571911 Mn\n0.140302 0.440975 0.278727 Co\n0.446104 0.285189 0.855167 Co\n0.708496 0.146039 0.424430 Co\n0.863637 0.569973 0.714306 Co\n0.433938 0.156999 0.029461 O\n0.516814 0.592899 0.319318 O\n0.641148 0.038542 0.599018 O\n0.823972 0.458729 0.885130 O\n0.960228 0.901298 0.167731 O\n0.118615 0.321162 0.447393 O\n0.219296 0.745200 0.744173 O\n0.181051 0.518840 0.123112 O\n0.308931 0.966866 0.401128 O\n0.492896 0.402151 0.683097 O\n0.574870 0.842427 0.968500 O\n0.775013 0.257900 0.258352 O\n0.912149 0.678355 0.546650 O\n0.046046 0.114861 0.831604 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.147784063618609,
"density_atomic": 0.1118808595441489,
"volume": 250.26622171195442,
"volume_molar": 5.382637195081277,
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