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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=10377",
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"results": [
{
"id": "mp-1232118",
"created_at": "2022-09-04T14:44:56.717579Z",
"structure_string": "Mg4 Sc8 S16\n1.0\n12.810337 0.000000 0.000000\n0.000000 7.476643 0.000000\n0.000000 0.000000 6.326741\nMg Sc S\n4 8 16\ndirect\n0.094110 0.250000 0.926253 Mg\n0.905890 0.750000 0.073747 Mg\n0.405890 0.750000 0.426253 Mg\n0.594110 0.250000 0.573747 Mg\n0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.234079 0.750000 0.002802 Sc\n0.765921 0.250000 0.997198 Sc\n0.265921 0.250000 0.502802 Sc\n0.734079 0.750000 0.497198 Sc\n0.169668 0.998514 0.734389 S\n0.830332 0.001486 0.265611 S\n0.330332 0.001486 0.234389 S\n0.669668 0.998514 0.765611 S\n0.669668 0.501486 0.765611 S\n0.330332 0.498514 0.234389 S\n0.830332 0.498514 0.265611 S\n0.169668 0.501486 0.734389 S\n0.076623 0.750000 0.254963 S\n0.923377 0.250000 0.745037 S\n0.423377 0.250000 0.754963 S\n0.576623 0.750000 0.245037 S\n0.091275 0.250000 0.302294 S\n0.908725 0.750000 0.697706 S\n0.408725 0.750000 0.802294 S\n0.591275 0.250000 0.197706 S\n",
"nsites": 28,
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"elements": [
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"Sc",
"S"
],
"chemical_system": "Mg-S-Sc",
"density": 2.6578598017152077,
"density_atomic": 0.046207319575681194,
"volume": 605.9646016501753,
"volume_molar": 13.03287188112387,
"formula_full": "Mg4 Sc8 S16",
"formula_reduced": "Mg(ScS2)2",
"formula_anonymous": "AB2C4",
"energy": -179.45668833,
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"updated_at": "2021-11-28T01:36:44.762000Z",
"spacegroup": 62
},
{
"id": "mp-1199594",
"created_at": "2022-09-04T14:46:31.002089Z",
"structure_string": "Rb8 S8 O32\n1.0\n4.820645 0.000000 0.000000\n0.000000 14.580806 0.000000\n0.000000 7.771637 12.908364\nRb S O\n8 8 32\ndirect\n0.643743 0.875808 0.919333 Rb\n0.143743 0.124192 0.580667 Rb\n0.356257 0.124192 0.080667 Rb\n0.856257 0.875808 0.419333 Rb\n0.204418 0.623819 0.832009 Rb\n0.704418 0.376181 0.667991 Rb\n0.795582 0.376181 0.167991 Rb\n0.295582 0.623819 0.332009 Rb\n0.700694 0.875637 0.674321 S\n0.200694 0.124363 0.825679 S\n0.299306 0.124363 0.325679 S\n0.799306 0.875637 0.174321 S\n0.272255 0.625484 0.581291 S\n0.772255 0.374516 0.918709 S\n0.727745 0.374516 0.418709 S\n0.227745 0.625484 0.081291 S\n0.612514 0.969255 0.680095 O\n0.112514 0.030745 0.819905 O\n0.387486 0.030745 0.319905 O\n0.887486 0.969255 0.180095 O\n0.532252 0.862254 0.597610 O\n0.032252 0.137746 0.902390 O\n0.467748 0.137746 0.402390 O\n0.967748 0.862254 0.097610 O\n0.701407 0.777043 0.777207 O\n0.201407 0.222957 0.722793 O\n0.298593 0.222957 0.222793 O\n0.798593 0.777043 0.277207 O\n0.979666 0.896637 0.622132 O\n0.479666 0.103363 0.877868 O\n0.020334 0.103363 0.377868 O\n0.520334 0.896637 0.122132 O\n0.195791 0.533764 0.569763 O\n0.695791 0.466236 0.930237 O\n0.804209 0.466236 0.430237 O\n0.304209 0.533764 0.069763 O\n0.490631 0.592905 0.663053 O\n0.990631 0.407095 0.836947 O\n0.509369 0.407095 0.336947 O\n0.009369 0.592905 0.163053 O\n0.375734 0.715994 0.481378 O\n0.875734 0.284006 0.018622 O\n0.624266 0.284006 0.518622 O\n0.124266 0.715994 0.981378 O\n0.024739 0.662029 0.614775 O\n0.524739 0.337971 0.885225 O\n0.975261 0.337971 0.385225 O\n0.475261 0.662029 0.114775 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Rb",
"S",
"O"
],
"chemical_system": "O-Rb-S",
"density": 2.657850588966243,
"density_atomic": 0.05290337168210372,
"volume": 907.3145713364345,
"volume_molar": 11.383283462889729,
"formula_full": "Rb8 S8 O32",
"formula_reduced": "RbSO4",
"formula_anonymous": "ABC4",
"energy": -288.86083567,
"energy_per_atom": -6.0179340764583324,
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"energy_uncorrected": -266.87683567,
"band_gap": 0.1228999999999997,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:33.194000Z",
"spacegroup": 14
},
{
"id": "mp-755825",
"created_at": "2022-09-04T14:47:19.229449Z",
"structure_string": "Li20 Mn4 O16\n1.0\n5.050625 0.000030 -0.000117\n0.000088 14.758428 0.000328\n-0.000120 0.000115 5.151147\nLi Mn O\n20 4 16\ndirect\n0.272873 0.499995 0.666465 Li\n0.272908 0.999991 0.666414 Li\n0.772876 0.249979 0.333526 Li\n0.772990 0.749998 0.333626 Li\n0.059788 0.163311 0.922787 Li\n0.060126 0.663355 0.922905 Li\n0.059574 0.336588 0.922755 Li\n0.059897 0.836584 0.922904 Li\n0.559907 0.086629 0.077044 Li\n0.559874 0.586641 0.077072 Li\n0.559641 0.413407 0.077163 Li\n0.559713 0.913412 0.077149 Li\n0.228148 0.344119 0.414869 Li\n0.228121 0.844087 0.414992 Li\n0.228488 0.155781 0.414761 Li\n0.228543 0.655838 0.414834 Li\n0.728472 0.094204 0.585152 Li\n0.728529 0.594187 0.585170 Li\n0.728128 0.405824 0.585059 Li\n0.728212 0.905872 0.585039 Li\n0.017591 0.500009 0.153003 Mn\n0.517928 0.750142 0.846972 Mn\n0.017616 0.999888 0.152885 Mn\n0.517309 0.250037 0.847446 Mn\n0.364947 0.000066 0.297472 O\n0.364246 0.500037 0.298101 O\n0.864086 0.249953 0.701914 O\n0.865345 0.749994 0.702417 O\n0.378229 0.250002 0.190783 O\n0.378473 0.750077 0.190542 O\n0.878444 0.999918 0.809370 O\n0.878318 0.499994 0.809492 O\n0.399071 0.129697 0.755621 O\n0.399382 0.629717 0.755360 O\n0.398835 0.370301 0.755644 O\n0.398994 0.870328 0.755504 O\n0.898887 0.379691 0.244345 O\n0.898971 0.879678 0.244448 O\n0.899126 0.120295 0.244362 O\n0.899246 0.620373 0.244628 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.657822920096974,
"density_atomic": 0.10417675443571242,
"volume": 383.9628160491796,
"volume_molar": 5.780695312135367,
"formula_full": "Li20 Mn4 O16",
"formula_reduced": "Li5MnO4",
"formula_anonymous": "AB4C5",
"energy": -235.53690466,
"energy_per_atom": -5.8884226165,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -217.87290466,
"band_gap": 1.2246,
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"is_magnetic": true,
"total_magnetization": 0.0004799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.499000Z",
"spacegroup": 31
},
{
"id": "mp-1186845",
"created_at": "2022-09-04T14:46:58.372687Z",
"structure_string": "Pu1 Mg16 Al12\n1.0\n5.309657 -7.636166 0.000000\n5.309657 7.636166 0.000000\n-5.672414 0.000000 7.370700\nPu Mg Al\n1 16 12\ndirect\n0.626363 0.626363 0.626363 Pu\n0.343162 0.002935 0.002935 Mg\n0.279734 0.682969 0.682969 Mg\n0.998405 0.998405 0.998405 Mg\n0.724438 0.393884 0.393884 Mg\n0.998416 0.609128 0.309309 Mg\n0.609128 0.309309 0.998416 Mg\n0.393884 0.724438 0.393884 Mg\n0.002936 0.343162 0.002935 Mg\n0.309309 0.998416 0.609128 Mg\n0.682969 0.682969 0.279734 Mg\n0.682969 0.279734 0.682969 Mg\n0.309309 0.609128 0.998416 Mg\n0.002935 0.002935 0.343162 Mg\n0.393884 0.393884 0.724438 Mg\n0.609128 0.998416 0.309309 Mg\n0.998416 0.309309 0.609128 Mg\n0.830130 0.191108 0.191108 Al\n0.195264 0.376396 0.376396 Al\n0.992294 0.810960 0.633852 Al\n0.376396 0.376396 0.195264 Al\n0.633852 0.992294 0.810960 Al\n0.810960 0.992294 0.633852 Al\n0.191108 0.191108 0.830130 Al\n0.191108 0.830130 0.191108 Al\n0.810960 0.633852 0.992294 Al\n0.633852 0.810960 0.992294 Al\n0.376396 0.195264 0.376396 Al\n0.992294 0.633852 0.810960 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Mg",
"Al"
],
"chemical_system": "Al-Mg-Pu",
"density": 2.657819338035545,
"density_atomic": 0.04851962543544332,
"volume": 597.6962876307709,
"volume_molar": 12.411762675317068,
"formula_full": "Pu1 Mg16 Al12",
"formula_reduced": "Pu(Mg4Al3)4",
"formula_anonymous": "AB12C16",
"energy": -86.19151799,
"energy_per_atom": -2.97212131,
"energy_above_hull": null,
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"energy_uncorrected": -86.19151799,
"band_gap": 0.0,
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"total_magnetization": 6.024222,
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"updated_at": "2021-11-28T01:37:48.432000Z",
"spacegroup": 160
},
{
"id": "mp-760140",
"created_at": "2022-09-04T14:39:17.457110Z",
"structure_string": "Li12 V6 F36\n1.0\n8.580343 0.000000 0.000000\n4.123567 7.651562 0.000000\n0.927221 0.342523 10.210143\nLi V F\n12 6 36\ndirect\n0.304806 0.984927 0.725303 Li\n0.945411 0.654915 0.434018 Li\n0.874123 0.457260 0.958195 Li\n0.201882 0.803093 0.247389 Li\n0.997756 0.727995 0.773428 Li\n0.668268 0.379822 0.469142 Li\n0.623606 0.336891 0.024984 Li\n0.122422 0.562638 0.045410 Li\n0.550977 0.098230 0.548678 Li\n0.053295 0.343185 0.569886 Li\n0.707167 0.003808 0.269659 Li\n0.356519 0.045326 0.061355 Li\n0.002314 0.002055 0.498949 V\n0.662250 0.661417 0.711539 V\n0.989292 0.007302 0.995516 V\n0.665349 0.664827 0.206716 V\n0.336478 0.333023 0.793853 V\n0.338421 0.335518 0.294014 V\n0.925075 0.921771 0.649705 F\n0.927856 0.932482 0.161871 F\n0.572635 0.889270 0.628246 F\n0.582238 0.884816 0.119718 F\n0.774259 0.726922 0.827458 F\n0.751003 0.764507 0.329465 F\n0.212480 0.940338 0.575102 F\n0.892602 0.582084 0.605504 F\n0.446312 0.753266 0.806764 F\n0.213867 0.929672 0.072333 F\n0.889642 0.583911 0.109486 F\n0.441893 0.746221 0.289262 F\n0.594990 0.574899 0.583883 F\n0.060139 0.775235 0.937296 F\n0.753644 0.447599 0.810081 F\n0.610250 0.559790 0.075444 F\n0.078728 0.777572 0.424041 F\n0.749923 0.462203 0.310743 F\n0.234582 0.542321 0.703723 F\n0.908218 0.238595 0.549407 F\n0.414174 0.411740 0.926736 F\n0.242018 0.559554 0.200219 F\n0.908155 0.238813 0.049529 F\n0.434398 0.408850 0.412607 F\n0.546891 0.248430 0.688325 F\n0.108705 0.429069 0.897448 F\n0.761665 0.086546 0.949560 F\n0.560256 0.245230 0.192081 F\n0.120347 0.415651 0.398988 F\n0.761786 0.082356 0.437829 F\n0.258345 0.230824 0.664902 F\n0.254717 0.259133 0.167206 F\n0.392516 0.123286 0.885262 F\n0.434520 0.116595 0.384434 F\n0.088765 0.054665 0.843367 F\n0.076170 0.056515 0.340538 F\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.6577559210619506,
"density_atomic": 0.08055772338947019,
"volume": 670.3267883940525,
"volume_molar": 7.475559768347628,
"formula_full": "Li12 V6 F36",
"formula_reduced": "Li2VF6",
"formula_anonymous": "AB2C6",
"energy": -315.23440398,
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"updated_at": "2021-11-28T01:34:30.182000Z",
"spacegroup": 1
},
{
"id": "mp-1176378",
"created_at": "2022-09-04T14:41:53.881528Z",
"structure_string": "Na8 Co4 C8 S2 O32\n1.0\n9.779599 0.000000 0.000000\n-0.033333 9.844918 0.000000\n-4.860907 -4.826296 7.085415\nNa Co C S O\n8 4 8 2 32\ndirect\n0.847560 0.092187 0.763138 Na\n0.846740 0.093259 0.176878 Na\n0.412997 0.088326 0.750475 Na\n0.582343 0.349039 0.253123 Na\n0.839679 0.661061 0.749712 Na\n0.408425 0.650729 0.735080 Na\n0.584750 0.905647 0.254773 Na\n0.170384 0.906915 0.255889 Na\n0.002141 0.502530 0.498657 Co\n0.002573 0.498018 0.003061 Co\n0.497416 0.499290 0.996913 Co\n0.001866 0.000107 0.504597 Co\n0.856632 0.285607 0.570941 C\n0.782985 0.356714 0.071926 C\n0.788292 0.717011 0.072333 C\n0.781928 0.710605 0.422677 C\n0.214058 0.286885 0.574809 C\n0.211075 0.285390 0.925082 C\n0.213436 0.641427 0.924094 C\n0.141562 0.714862 0.426860 C\n0.376058 0.124619 0.250650 S\n0.627324 0.875889 0.752869 S\n0.845909 0.140202 0.449896 O\n0.893279 0.352695 0.036456 O\n0.865590 0.314878 0.717392 O\n0.813110 0.352085 0.214510 O\n0.850400 0.399971 0.537581 O\n0.445364 0.068851 0.134001 O\n0.433655 0.055743 0.367842 O\n0.636118 0.353020 0.959917 O\n0.821595 0.606717 0.962084 O\n0.890974 0.678224 0.537769 O\n0.191209 0.065558 0.129012 O\n0.434188 0.307268 0.371794 O\n0.360367 0.312036 0.962722 O\n0.191437 0.139592 0.537873 O\n0.642368 0.596716 0.275907 O\n0.898732 0.861119 0.211608 O\n0.353329 0.402743 0.720008 O\n0.099430 0.144891 0.783723 O\n0.641466 0.688789 0.039084 O\n0.809458 0.857511 0.460525 O\n0.570463 0.693413 0.636464 O\n0.814639 0.937384 0.877696 O\n0.098598 0.315032 0.460531 O\n0.178842 0.396888 0.034358 O\n0.360397 0.647818 0.040398 O\n0.564723 0.936736 0.877638 O\n0.569210 0.944365 0.636296 O\n0.144347 0.603728 0.463311 O\n0.182690 0.636600 0.778188 O\n0.135335 0.681552 0.280212 O\n0.101915 0.650091 0.960916 O\n0.154182 0.861668 0.543293 O\n",
"nsites": 54,
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"elements": [
"Na",
"Co",
"C",
"S",
"O"
],
"chemical_system": "C-Co-Na-O-S",
"density": 2.6577404882124727,
"density_atomic": 0.0791580918565761,
"volume": 682.1791522948885,
"volume_molar": 7.607738664180176,
"formula_full": "Na8 Co4 C8 S2 O32",
"formula_reduced": "Na4Co2C4SO16",
"formula_anonymous": "AB2C4D4E16",
"energy": -375.82463806,
"energy_per_atom": -6.959715519629629,
"energy_above_hull": null,
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"energy_uncorrected": -347.28863806,
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"updated_at": "2021-11-28T01:35:34.092000Z",
"spacegroup": 1
},
{
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"id": "mp-772072",
"created_at": "2022-09-04T14:48:18.232760Z",
"structure_string": "Li8 Fe4 Si4 C4 O28\n1.0\n0.203994 -0.000100 5.147606\n17.114115 -0.000115 0.269219\n-0.000042 6.297227 -0.000122\nLi Fe Si C O\n8 4 4 4 28\ndirect\n0.212171 0.113332 0.508908 Li\n0.212370 0.613113 0.509425 Li\n0.212175 0.113338 0.991110 Li\n0.212382 0.613117 0.990592 Li\n0.787716 0.386715 0.491054 Li\n0.787606 0.886920 0.490421 Li\n0.787713 0.386710 0.008932 Li\n0.787593 0.886916 0.009564 Li\n0.795153 0.673885 0.750002 Fe\n0.204654 0.326052 0.250003 Fe\n0.795178 0.173938 0.750004 Fe\n0.204959 0.826083 0.249994 Fe\n0.714061 0.215894 0.249995 Si\n0.714069 0.715936 0.249998 Si\n0.285810 0.284119 0.750002 Si\n0.286006 0.784044 0.750002 Si\n0.731411 0.026350 0.749997 C\n0.731245 0.526470 0.750001 C\n0.268567 0.473628 0.250004 C\n0.268870 0.973519 0.250000 C\n0.291468 0.047050 0.250001 O\n0.291617 0.547180 0.250003 O\n0.708492 0.452951 0.750002 O\n0.708458 0.952821 0.749998 O\n0.959835 0.056347 0.750002 O\n0.959676 0.556546 0.750004 O\n0.040105 0.443654 0.249996 O\n0.040514 0.943432 0.249996 O\n0.534293 0.077482 0.749991 O\n0.534116 0.577639 0.749996 O\n0.465701 0.422482 0.250011 O\n0.465997 0.922401 0.250003 O\n0.168229 0.197240 0.749991 O\n0.168255 0.697240 0.750001 O\n0.831651 0.302768 0.250009 O\n0.831802 0.802743 0.249998 O\n0.393504 0.228156 0.249981 O\n0.393499 0.728179 0.249988 O\n0.606407 0.271832 0.750016 O\n0.606576 0.771792 0.750012 O\n0.817847 0.161493 0.050061 O\n0.817975 0.661524 0.050101 O\n0.817836 0.161493 0.449936 O\n0.817963 0.661525 0.449902 O\n0.182059 0.338516 0.550071 O\n0.182190 0.838459 0.550095 O\n0.182051 0.338516 0.949928 O\n0.182178 0.838460 0.949899 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Si",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-Si",
"density": 2.6574772803600215,
"density_atomic": 0.08657708629663231,
"volume": 554.4192124408223,
"volume_molar": 6.955813619514531,
"formula_full": "Li8 Fe4 Si4 C4 O28",
"formula_reduced": "Li2FeSiCO7",
"formula_anonymous": "ABCD2E7",
"energy": -351.7970926,
"energy_per_atom": -7.329106095833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -323.5370926,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0055209,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.740000Z",
"spacegroup": 11
}
]
}