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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=10143",
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"results": [
{
"id": "mp-757451",
"created_at": "2022-09-04T14:40:32.324018Z",
"structure_string": "Li12 Fe4 P8 O32\n1.0\n-0.295430 5.294402 7.059367\n-0.297333 -5.296588 7.060944\n8.558590 -5.293915 -0.258144\nLi Fe P O\n12 4 8 32\ndirect\n0.557626 0.792274 0.015399 Li\n0.057669 0.292253 0.015423 Li\n0.942363 0.707711 0.984615 Li\n0.442342 0.207704 0.984628 Li\n0.519381 0.996720 0.273782 Li\n0.019391 0.496705 0.273780 Li\n0.980632 0.503272 0.726253 Li\n0.480617 0.003289 0.726252 Li\n0.896930 0.802733 0.344620 Li\n0.396962 0.302754 0.344621 Li\n0.603091 0.697256 0.655398 Li\n0.103040 0.197251 0.655385 Li\n0.228992 0.727513 0.251445 Fe\n0.270902 0.772420 0.748537 Fe\n0.729094 0.227544 0.251382 Fe\n0.771016 0.272564 0.748501 Fe\n0.784968 0.988596 0.046285 P\n0.284962 0.488553 0.046293 P\n0.715028 0.511473 0.953681 P\n0.215062 0.011399 0.953719 P\n0.690675 0.541957 0.398691 P\n0.190730 0.041945 0.398715 P\n0.809255 0.958095 0.601280 P\n0.309346 0.457993 0.601289 P\n0.334768 0.621862 0.962800 O\n0.834735 0.121902 0.962761 O\n0.165232 0.878126 0.037206 O\n0.665199 0.378173 0.037122 O\n0.360752 0.042214 0.068628 O\n0.860797 0.542179 0.068652 O\n0.139195 0.457818 0.931387 O\n0.639212 0.957760 0.931403 O\n0.757262 0.672600 0.333587 O\n0.257188 0.172717 0.333550 O\n0.742823 0.827314 0.666470 O\n0.242719 0.327366 0.666415 O\n0.707040 0.039292 0.417383 O\n0.207026 0.539301 0.417380 O\n0.792967 0.460718 0.582604 O\n0.292950 0.960711 0.582632 O\n0.716051 0.044295 0.156715 O\n0.216048 0.544293 0.156697 O\n0.950976 0.809265 0.156624 O\n0.450994 0.309282 0.156605 O\n0.548987 0.690735 0.843364 O\n0.049049 0.190717 0.843413 O\n0.783984 0.455720 0.843311 O\n0.283941 0.955687 0.843283 O\n0.488836 0.633226 0.346393 O\n0.988857 0.133245 0.346393 O\n0.728770 0.392301 0.346463 O\n0.228771 0.892317 0.346426 O\n0.771238 0.107713 0.653592 O\n0.271212 0.607633 0.653516 O\n0.011105 0.866800 0.653594 O\n0.511244 0.366747 0.653657 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
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"density": 2.7703667461643655,
"density_atomic": 0.08760695579217086,
"volume": 639.2186498620985,
"volume_molar": 6.874044081940556,
"formula_full": "Li12 Fe4 P8 O32",
"formula_reduced": "Li3Fe(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -398.09745848,
"energy_per_atom": -7.108883187142857,
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"updated_at": "2021-11-28T01:35:04.452000Z",
"spacegroup": 11
},
{
"id": "mp-1397062",
"created_at": "2022-09-04T14:42:22.590694Z",
"structure_string": "Mn4 Zn2 O10\n1.0\n3.546631 0.000000 0.000000\n0.000000 4.410141 0.000000\n0.000000 0.000000 11.676425\nMn Zn O\n4 2 10\ndirect\n0.000000 0.053351 0.848325 Mn\n0.500000 0.946649 0.651675 Mn\n0.500000 0.946649 0.348325 Mn\n0.000000 0.053351 0.151675 Mn\n0.500000 0.568204 0.000000 Zn\n0.000000 0.431796 0.500000 Zn\n0.500000 0.077120 0.500000 O\n0.000000 0.922880 0.000000 O\n0.500000 0.951222 0.822285 O\n0.000000 0.048778 0.677715 O\n0.500000 0.951222 0.177715 O\n0.000000 0.048778 0.322285 O\n0.000000 0.446596 0.114807 O\n0.500000 0.553404 0.385193 O\n0.500000 0.553404 0.614807 O\n0.000000 0.446596 0.885193 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 4.642170262300091,
"density_atomic": 0.0876075646704967,
"volume": 182.63263064300503,
"volume_molar": 6.873996306882911,
"formula_full": "Mn4 Zn2 O10",
"formula_reduced": "Mn2ZnO5",
"formula_anonymous": "AB2C5",
"energy": -112.68277931,
"energy_per_atom": -7.042673706875,
"energy_above_hull": null,
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"energy_uncorrected": -99.14077931,
"band_gap": 0.1244,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.834000Z",
"spacegroup": 59
},
{
"id": "mp-754446",
"created_at": "2022-09-04T14:44:25.984212Z",
"structure_string": "Li4 Mn2 F8\n1.0\n0.000000 4.307101 4.307101\n4.307101 0.000000 4.307101\n4.307101 4.307101 0.000000\nLi Mn F\n4 2 8\ndirect\n0.625000 0.625000 0.125000 Li\n0.625000 0.625000 0.625000 Li\n0.625000 0.125000 0.625000 Li\n0.125000 0.625000 0.625000 Li\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.864553 0.864553 0.406340 F\n0.864553 0.406340 0.864553 F\n0.864553 0.864553 0.864553 F\n0.406340 0.864553 0.864553 F\n0.843660 0.385447 0.385447 F\n0.385447 0.385447 0.385447 F\n0.385447 0.843660 0.385447 F\n0.385447 0.385447 0.843660 F\n",
"nsites": 14,
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"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.009563097555036,
"density_atomic": 0.08760781971000609,
"volume": 159.80308660051034,
"volume_molar": 6.873976295648165,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy": -83.63450264,
"energy_per_atom": -5.973893045714285,
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"updated_at": "2021-11-28T01:36:33.799000Z",
"spacegroup": 227
},
{
"id": "mp-26613",
"created_at": "2022-09-04T14:47:20.251647Z",
"structure_string": "Li4 Fe4 P8 O28\n1.0\n8.385017 0.000000 0.000000\n0.000000 6.700515 0.000000\n0.000000 2.174787 8.939145\nLi Fe P O\n4 4 8 28\ndirect\n0.077319 0.734965 0.248874 Li\n0.922681 0.265035 0.751126 Li\n0.577319 0.265035 0.751126 Li\n0.422681 0.734965 0.248874 Li\n0.442435 0.751165 0.750220 Fe\n0.057565 0.751165 0.750220 Fe\n0.942435 0.248835 0.249780 Fe\n0.557565 0.248835 0.249780 Fe\n0.750000 0.500938 0.444013 P\n0.250000 0.499062 0.555987 P\n0.750000 0.924426 0.526300 P\n0.750000 0.575120 0.971997 P\n0.750000 0.003103 0.052591 P\n0.250000 0.424880 0.028003 P\n0.250000 0.996897 0.947409 P\n0.250000 0.075574 0.473700 P\n0.250000 0.257219 0.557193 O\n0.250000 0.237855 0.949868 O\n0.096784 0.979187 0.855879 O\n0.403216 0.979187 0.855879 O\n0.596784 0.020813 0.144121 O\n0.903216 0.020813 0.144121 O\n0.750000 0.762145 0.050132 O\n0.750000 0.387634 0.107293 O\n0.099854 0.422172 0.122340 O\n0.400146 0.422172 0.122340 O\n0.250000 0.868618 0.105892 O\n0.099895 0.082429 0.379174 O\n0.400105 0.082429 0.379174 O\n0.750000 0.115118 0.393114 O\n0.596525 0.481419 0.353402 O\n0.900146 0.577828 0.877660 O\n0.250000 0.623478 0.396399 O\n0.750000 0.742781 0.442807 O\n0.903475 0.481419 0.353402 O\n0.750000 0.376522 0.603601 O\n0.096525 0.518581 0.646598 O\n0.403475 0.518581 0.646598 O\n0.250000 0.884882 0.606886 O\n0.599895 0.917571 0.620826 O\n0.900105 0.917571 0.620826 O\n0.750000 0.131382 0.894108 O\n0.599854 0.577828 0.877660 O\n0.250000 0.612366 0.892707 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.130783480429797,
"density_atomic": 0.08760816085556489,
"volume": 502.23631646075256,
"volume_molar": 6.873949528433084,
"formula_full": "Li4 Fe4 P8 O28",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy": -332.91365931,
"energy_per_atom": -7.566219529772727,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:02.256000Z",
"spacegroup": 11
},
{
"id": "mp-777462",
"created_at": "2022-09-04T14:42:12.141485Z",
"structure_string": "Li4 Ni3 Sn3 Sb2 O16\n1.0\n3.078496 5.288772 0.000000\n-3.078496 5.288772 0.000000\n0.000000 0.021294 9.814766\nLi Ni Sn Sb O\n4 3 3 2 16\ndirect\n0.332152 0.332152 0.104708 Li\n0.018031 0.018031 0.020405 Li\n0.011299 0.011299 0.502070 Li\n0.668734 0.668734 0.587426 Li\n0.170762 0.170762 0.785399 Ni\n0.826137 0.340739 0.287586 Ni\n0.340739 0.826137 0.287586 Ni\n0.660314 0.167793 0.786512 Sn\n0.167793 0.660314 0.786512 Sn\n0.828562 0.828562 0.287030 Sn\n0.327411 0.327411 0.506453 Sb\n0.656021 0.656021 0.021696 Sb\n0.662278 0.167123 0.411569 O\n0.482771 0.482771 0.652056 O\n0.333745 0.333745 0.897538 O\n0.001299 0.001299 0.691292 O\n0.999377 0.999377 0.201934 O\n0.167123 0.662278 0.411569 O\n0.481868 0.039588 0.652953 O\n0.039588 0.481868 0.652953 O\n0.830976 0.830976 0.905019 O\n0.168793 0.168793 0.406336 O\n0.961393 0.518971 0.145410 O\n0.518971 0.961393 0.145410 O\n0.666577 0.666577 0.391881 O\n0.829654 0.333803 0.905370 O\n0.514130 0.514130 0.152117 O\n0.333803 0.829654 0.905370 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ni",
"Sn",
"Sb",
"O"
],
"chemical_system": "Li-Ni-O-Sb-Sn",
"density": 5.5047850066571415,
"density_atomic": 0.0876101950799779,
"volume": 319.5975077379894,
"volume_molar": 6.873789921940576,
"formula_full": "Li4 Ni3 Sn3 Sb2 O16",
"formula_reduced": "Li4Ni3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -178.86426119,
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"energy_uncorrected": -160.24926119,
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"updated_at": "2021-11-28T01:35:47.027000Z",
"spacegroup": 8
},
{
"id": "mp-861716",
"created_at": "2022-09-04T14:41:22.195357Z",
"structure_string": "Li12 Fe12 Si18 O54\n1.0\n5.065438 -8.773595 0.000000\n5.065438 8.773595 0.000000\n0.000000 0.000000 12.327635\nLi Fe Si O\n12 12 18 54\ndirect\n0.139391 0.969516 0.186110 Li\n0.295870 0.822375 0.014317 Li\n0.177625 0.473495 0.680984 Li\n0.030484 0.169875 0.852777 Li\n0.526505 0.704130 0.347651 Li\n0.173892 0.045164 0.687558 Li\n0.343152 0.328464 0.761596 Li\n0.830125 0.860609 0.519443 Li\n0.871271 0.826108 0.020891 Li\n0.671536 0.014688 0.428262 Li\n0.985312 0.656848 0.094929 Li\n0.954836 0.128729 0.354224 Li\n0.341565 0.836648 0.496209 Fe\n0.163352 0.504917 0.162876 Fe\n0.495083 0.658435 0.829542 Fe\n0.337255 0.325543 0.239034 Fe\n0.366980 0.331466 0.001018 Fe\n0.492498 0.159313 0.839064 Fe\n0.666815 0.507502 0.172398 Fe\n0.988287 0.662745 0.572368 Fe\n0.964485 0.633020 0.334352 Fe\n0.668534 0.035515 0.667685 Fe\n0.674457 0.011713 0.905701 Fe\n0.840687 0.333185 0.505731 Fe\n0.134581 0.952670 0.916402 Si\n0.287971 0.812875 0.758700 Si\n0.177984 0.510088 0.902419 Si\n0.332104 0.822016 0.235753 Si\n0.047330 0.181911 0.583068 Si\n0.187125 0.475096 0.425367 Si\n0.176003 0.010363 0.436005 Si\n0.489912 0.667896 0.569086 Si\n0.524904 0.712029 0.092033 Si\n0.618499 0.495765 0.446813 Si\n0.473465 0.191573 0.571981 Si\n0.818089 0.865419 0.249735 Si\n0.834359 0.823997 0.769339 Si\n0.718108 0.526535 0.905314 Si\n0.504235 0.122734 0.113480 Si\n0.877266 0.381501 0.780147 Si\n0.808427 0.281892 0.238648 Si\n0.989637 0.165641 0.102672 Si\n0.086330 0.823210 0.437633 O\n0.095838 0.878173 0.035750 O\n0.184344 0.853958 0.837623 O\n0.150037 0.699998 0.231160 O\n0.060053 0.525708 0.441498 O\n0.022643 0.377142 0.841345 O\n0.219746 0.775854 0.636295 O\n0.145681 0.574244 0.012489 O\n0.354499 0.977357 0.174679 O\n0.258375 0.648431 0.809785 O\n0.146042 0.330386 0.504290 O\n0.428563 0.854319 0.345823 O\n0.121827 0.217665 0.702417 O\n0.224146 0.443892 0.302962 O\n0.465655 0.939947 0.774831 O\n0.390056 0.741625 0.143119 O\n0.300002 0.450040 0.897827 O\n0.176790 0.263120 0.104299 O\n0.080228 0.050852 0.527466 O\n0.351569 0.609944 0.476452 O\n0.201309 0.101405 0.324482 O\n0.425756 0.571437 0.679156 O\n0.549960 0.849963 0.564494 O\n0.556108 0.780254 0.969629 O\n0.256881 0.131638 0.901875 O\n0.474292 0.534345 0.108165 O\n0.669614 0.815656 0.170957 O\n0.622858 0.645501 0.508012 O\n0.340766 0.049662 0.496024 O\n0.736880 0.913670 0.770966 O\n0.551664 0.488362 0.323815 O\n0.402604 0.178697 0.692343 O\n0.782335 0.904162 0.369083 O\n0.494745 0.346259 0.514166 O\n0.477986 0.268188 0.126700 O\n0.550832 0.377314 0.896265 O\n0.708896 0.659234 0.829358 O\n0.511638 0.063302 0.990482 O\n0.776093 0.597396 0.025676 O\n0.900096 0.798691 0.657816 O\n0.874757 0.743119 0.235208 O\n0.622686 0.173518 0.562932 O\n0.790202 0.522014 0.460033 O\n0.970624 0.919772 0.860799 O\n0.653741 0.148486 0.180833 O\n0.851514 0.505255 0.847499 O\n0.826482 0.449168 0.229598 O\n0.731812 0.209798 0.793367 O\n0.821303 0.223907 0.359010 O\n0.936698 0.448336 0.657149 O\n0.868362 0.125243 0.568541 O\n0.950338 0.291104 0.162691 O\n0.898595 0.099904 0.991149 O\n0.949148 0.029376 0.194132 O\n",
"nsites": 96,
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"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.2172305293693646,
"density_atomic": 0.08761266344419945,
"volume": 1095.7320120868424,
"volume_molar": 6.873596262526027,
"formula_full": "Li12 Fe12 Si18 O54",
"formula_reduced": "Li2Fe2(SiO3)3",
"formula_anonymous": "A2B2C3D9",
"energy": -743.27319528,
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"updated_at": "2021-11-28T01:35:17.706000Z",
"spacegroup": 145
},
{
"id": "mp-1184051",
"created_at": "2022-09-04T14:39:44.472884Z",
"structure_string": "Cu1 Bi1 O3\n1.0\n3.850058 0.000000 0.000000\n0.000000 3.850058 0.000000\n0.000000 0.000000 3.850058\nCu Bi O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
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"elements": [
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],
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"volume": 57.06920415385441,
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"formula_full": "Cu1 Bi1 O3",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:34:45.294000Z",
"spacegroup": 221
},
{
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{
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}