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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=1716",
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"results": [
{
"id": "mp-766040",
"created_at": "2022-09-04T14:42:20.926706Z",
"structure_string": "Li16 V8 Si4 O32\n1.0\n10.933603 0.000000 0.000000\n0.000000 8.273770 0.000000\n0.000000 1.876175 8.063714\nLi V Si O\n16 8 4 32\ndirect\n0.668864 0.399500 0.096311 Li\n0.166262 0.337080 0.162509 Li\n0.336774 0.856649 0.157279 Li\n0.421621 0.535245 0.218996 Li\n0.921621 0.464755 0.281004 Li\n0.836774 0.143351 0.342721 Li\n0.666262 0.662920 0.337491 Li\n0.168864 0.600500 0.403689 Li\n0.831136 0.399500 0.596311 Li\n0.333738 0.337080 0.662509 Li\n0.163226 0.856649 0.657279 Li\n0.078379 0.535245 0.718996 Li\n0.578379 0.464755 0.781004 Li\n0.663226 0.143351 0.842721 Li\n0.833738 0.662920 0.837491 Li\n0.331136 0.600500 0.903689 Li\n0.410670 0.235632 0.041864 V\n0.086950 0.712196 0.030956 V\n0.586950 0.287804 0.469044 V\n0.089330 0.235632 0.541864 V\n0.910670 0.764368 0.458136 V\n0.413050 0.712196 0.530956 V\n0.913050 0.287804 0.969044 V\n0.589330 0.764368 0.958136 V\n0.834127 0.910269 0.086249 Si\n0.334127 0.089731 0.413751 Si\n0.665873 0.910269 0.586249 Si\n0.165873 0.089731 0.913751 Si\n0.081351 0.220643 0.991412 O\n0.333883 0.403177 0.090672 O\n0.385792 0.057868 0.236252 O\n0.436881 0.741859 0.020502 O\n0.842814 0.335107 0.142454 O\n0.172810 0.908791 0.048605 O\n0.695301 0.831002 0.116872 O\n0.088487 0.545528 0.207948 O\n0.588487 0.454472 0.292052 O\n0.195301 0.168998 0.383128 O\n0.672810 0.091209 0.451395 O\n0.342814 0.664893 0.357546 O\n0.936881 0.258141 0.479498 O\n0.885792 0.942132 0.263748 O\n0.418649 0.220643 0.491412 O\n0.833883 0.596823 0.409328 O\n0.166117 0.403177 0.590672 O\n0.581351 0.779357 0.508588 O\n0.114208 0.057868 0.736252 O\n0.063119 0.741859 0.520502 O\n0.657186 0.335107 0.642454 O\n0.327190 0.908791 0.548605 O\n0.804699 0.831002 0.616872 O\n0.411513 0.545528 0.707948 O\n0.911513 0.454472 0.792052 O\n0.304699 0.168998 0.883128 O\n0.827190 0.091209 0.951395 O\n0.157186 0.664893 0.857546 O\n0.563119 0.258141 0.979498 O\n0.614208 0.942132 0.763748 O\n0.666117 0.596823 0.909328 O\n0.918649 0.779357 0.008588 O\n",
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],
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"volume": 729.4606352367347,
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"formula_full": "Li16 V8 Si4 O32",
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"energy": -439.13778189,
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"updated_at": "2021-11-28T01:35:47.932000Z",
"spacegroup": 14
},
{
"id": "mp-1176717",
"created_at": "2022-09-04T14:43:49.901694Z",
"structure_string": "Li6 Fe6 P6 C6 O42\n1.0\n8.403057 0.043400 -0.025164\n0.439501 5.157303 0.004481\n-0.057694 0.023236 19.251545\nLi Fe P C O\n6 6 6 6 42\ndirect\n0.110860 0.770586 0.415765 Li\n0.112019 0.769906 0.750912 Li\n0.733835 0.742314 0.995689 Li\n0.897003 0.238442 0.914727 Li\n0.890157 0.229517 0.247342 Li\n0.888932 0.229744 0.583421 Li\n0.333583 0.801745 0.917095 Fe\n0.333421 0.806719 0.249105 Fe\n0.333764 0.802104 0.583310 Fe\n0.661026 0.202667 0.085736 Fe\n0.667091 0.197649 0.750130 Fe\n0.666077 0.198628 0.417177 Fe\n0.424820 0.727390 0.750280 P\n0.419989 0.728196 0.081568 P\n0.422602 0.729476 0.416548 P\n0.575623 0.276372 0.251632 P\n0.576701 0.271166 0.583633 P\n0.579066 0.268689 0.916735 P\n0.042921 0.707064 0.247936 C\n0.041457 0.706723 0.583299 C\n0.039570 0.712022 0.920232 C\n0.954340 0.291063 0.080016 C\n0.958902 0.293352 0.417061 C\n0.959590 0.293167 0.749946 C\n0.070403 0.948561 0.250183 O\n0.069268 0.948505 0.583062 O\n0.067825 0.952458 0.915629 O\n0.098102 0.339936 0.083364 O\n0.093803 0.381475 0.416299 O\n0.094649 0.381219 0.749854 O\n0.168581 0.541396 0.583203 O\n0.170117 0.542809 0.246703 O\n0.165247 0.544602 0.917287 O\n0.310414 0.805044 0.018928 O\n0.324053 0.812913 0.146239 O\n0.309081 0.796135 0.353871 O\n0.309980 0.796667 0.478940 O\n0.313680 0.789835 0.813604 O\n0.310260 0.798659 0.688244 O\n0.426219 0.127886 0.913190 O\n0.425488 0.128883 0.252957 O\n0.426209 0.123226 0.583229 O\n0.469689 0.431714 0.081318 O\n0.478206 0.436454 0.416804 O\n0.478995 0.434305 0.749629 O\n0.522047 0.569707 0.252624 O\n0.521592 0.564337 0.583914 O\n0.534339 0.565655 0.924473 O\n0.579230 0.862216 0.076031 O\n0.575240 0.875430 0.750887 O\n0.573205 0.877630 0.416835 O\n0.684140 0.212174 0.187641 O\n0.692501 0.206156 0.312857 O\n0.689584 0.204674 0.521324 O\n0.690207 0.202549 0.646218 O\n0.692471 0.211109 0.854218 O\n0.690786 0.173942 0.978794 O\n0.838203 0.474755 0.073760 O\n0.832773 0.459059 0.750123 O\n0.832038 0.459029 0.417449 O\n0.902201 0.629058 0.926493 O\n0.908107 0.618711 0.248317 O\n0.906502 0.618818 0.583691 O\n0.910158 0.058485 0.084219 O\n0.931871 0.051417 0.750075 O\n0.931149 0.051732 0.417561 O\n",
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"elements": [
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],
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"density": 2.601723171308888,
"density_atomic": 0.07914328564701746,
"volume": 833.9305028901997,
"volume_molar": 7.609161927973286,
"formula_full": "Li6 Fe6 P6 C6 O42",
"formula_reduced": "LiFePCO7",
"formula_anonymous": "ABCDE7",
"energy": -494.2295497199999,
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"updated_at": "2021-11-28T01:36:24.752000Z",
"spacegroup": 1
},
{
"id": "mp-1191332",
"created_at": "2022-09-04T14:39:44.932728Z",
"structure_string": "Cs2 S4 O12 F4\n1.0\n4.941266 3.954308 -4.886315\n-4.941266 3.954308 4.886315\n4.910955 -3.954308 5.956594\nCs S O F\n2 4 12 4\ndirect\n0.855446 0.605446 0.750000 Cs\n0.144554 0.394554 0.250000 Cs\n0.207267 0.328461 0.724466 S\n0.603996 0.982802 0.775534 S\n0.792733 0.671539 0.275534 S\n0.396004 0.017198 0.224466 S\n0.358510 0.368157 0.650972 O\n0.717185 0.207538 0.849028 O\n0.641490 0.631843 0.349028 O\n0.282815 0.792462 0.150972 O\n0.031609 0.339321 0.630813 O\n0.708508 0.900796 0.869187 O\n0.968391 0.660679 0.369187 O\n0.291492 0.099204 0.130813 O\n0.303057 0.435118 0.912718 O\n0.522400 0.890340 0.587282 O\n0.696943 0.564882 0.087282 O\n0.477600 0.109660 0.412718 O\n0.087396 0.084154 0.698289 F\n0.385865 0.889106 0.801711 F\n0.912604 0.915846 0.301711 F\n0.614135 0.110894 0.198289 F\n",
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"elements": [
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],
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"density": 2.601730861717828,
"density_atomic": 0.05206433941476939,
"volume": 422.5540983961689,
"volume_molar": 11.566728451166451,
"formula_full": "Cs2 S4 O12 F4",
"formula_reduced": "CsS2(O3F)2",
"formula_anonymous": "AB2C2D6",
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"updated_at": "2021-11-28T01:34:40.779000Z",
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},
{
"id": "mp-1191677",
"created_at": "2022-09-04T14:41:46.073599Z",
"structure_string": "Co2 Br4 N12 O4\n1.0\n4.977021 4.378969 0.000000\n-4.977021 4.378969 0.000000\n0.000000 3.949833 9.803868\nCo Br N O\n2 4 12 4\ndirect\n0.035408 0.964592 0.750000 Co\n0.964592 0.035408 0.250000 Co\n0.788093 0.055845 0.549528 Br\n0.944155 0.211907 0.950472 Br\n0.211907 0.944155 0.450472 Br\n0.055845 0.788093 0.049528 Br\n0.668656 0.331344 0.750000 N\n0.331344 0.668656 0.250000 N\n0.192175 0.807825 0.750000 N\n0.807825 0.192175 0.250000 N\n0.100572 0.221542 0.778900 N\n0.778458 0.899428 0.721100 N\n0.899428 0.778458 0.221100 N\n0.221542 0.100572 0.278900 N\n0.875941 0.835770 0.945816 N\n0.164230 0.124059 0.554184 N\n0.124059 0.164230 0.054184 N\n0.835770 0.875941 0.445816 N\n0.743446 0.502320 0.664943 O\n0.497680 0.256554 0.835057 O\n0.256554 0.497680 0.335057 O\n0.502320 0.743446 0.164943 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.6017769169764944,
"density_atomic": 0.051481819311690435,
"volume": 427.33532524955393,
"volume_molar": 11.697606728969072,
"formula_full": "Co2 Br4 N12 O4",
"formula_reduced": "CoBr2(N3O)2",
"formula_anonymous": "AB2C2D6",
"energy": -114.98839171999998,
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"updated_at": "2021-11-28T01:35:41.977000Z",
"spacegroup": 15
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{
"id": "mp-24328",
"created_at": "2022-09-04T14:45:25.617258Z",
"structure_string": "Rb4 H4 C4 O8\n1.0\n4.726138 0.000000 0.000000\n0.000000 7.508512 0.000000\n0.000000 0.000000 9.387120\nRb H C O\n4 4 4 8\ndirect\n0.938680 0.500000 0.250000 Rb\n0.061320 0.000000 0.750000 Rb\n0.061320 0.500000 0.750000 Rb\n0.938680 0.000000 0.250000 Rb\n0.437984 0.750000 0.027967 H\n0.437984 0.250000 0.472033 H\n0.562016 0.750000 0.527967 H\n0.562016 0.250000 0.972033 H\n0.383337 0.250000 0.050105 C\n0.383337 0.750000 0.449895 C\n0.616663 0.750000 0.949895 C\n0.616663 0.250000 0.550105 C\n0.133808 0.250000 0.999401 O\n0.133808 0.750000 0.500599 O\n0.866192 0.250000 0.499401 O\n0.866192 0.750000 0.000599 O\n0.448547 0.250000 0.181554 O\n0.448547 0.750000 0.318446 O\n0.551453 0.750000 0.818446 O\n0.551453 0.250000 0.681554 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "Rb4 H4 C4 O8",
"formula_reduced": "RbHCO2",
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{
"id": "mp-759420",
"created_at": "2022-09-04T14:42:41.877992Z",
"structure_string": "Li12 Mn4 F20\n1.0\n6.614517 0.000000 0.000000\n0.000000 7.979651 0.000000\n0.000000 0.000000 8.258808\nLi Mn F\n12 4 20\ndirect\n0.985318 0.578405 0.270112 Li\n0.985318 0.921595 0.270112 Li\n0.210445 0.750000 0.031300 Li\n0.289555 0.250000 0.531300 Li\n0.514682 0.078405 0.770112 Li\n0.514682 0.421595 0.770112 Li\n0.485318 0.921595 0.229888 Li\n0.485318 0.578405 0.229888 Li\n0.710445 0.750000 0.468700 Li\n0.789555 0.250000 0.968700 Li\n0.014682 0.078405 0.729888 Li\n0.014682 0.421595 0.729888 Li\n0.270778 0.750000 0.602897 Mn\n0.229222 0.250000 0.102897 Mn\n0.770778 0.750000 0.897103 Mn\n0.729222 0.250000 0.397103 Mn\n0.991622 0.250000 0.551646 F\n0.088494 0.750000 0.817804 F\n0.070132 0.250000 0.881114 F\n0.225034 0.985182 0.152112 F\n0.225034 0.514818 0.152112 F\n0.274966 0.485182 0.652112 F\n0.274966 0.014818 0.652112 F\n0.429868 0.750000 0.381114 F\n0.411506 0.250000 0.317804 F\n0.508378 0.750000 0.051646 F\n0.491622 0.250000 0.948354 F\n0.588494 0.750000 0.682196 F\n0.570132 0.250000 0.618886 F\n0.725034 0.985182 0.347888 F\n0.725034 0.514818 0.347888 F\n0.774966 0.014818 0.847888 F\n0.774966 0.485182 0.847888 F\n0.929868 0.750000 0.118886 F\n0.911506 0.250000 0.182196 F\n0.008378 0.750000 0.448354 F\n",
"nsites": 36,
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"elements": [
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"Mn",
"F"
],
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"density": 2.601825599747976,
"density_atomic": 0.08258536577602907,
"volume": 435.91258162652866,
"volume_molar": 7.2920192378054045,
"formula_full": "Li12 Mn4 F20",
"formula_reduced": "Li3MnF5",
"formula_anonymous": "AB3C5",
"energy": -207.70088364,
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"band_gap": 3.6318,
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"updated_at": "2021-11-28T01:35:49.344000Z",
"spacegroup": 62
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{
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