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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=150",
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"results": [
{
"id": "mp-758099",
"created_at": "2022-09-04T14:45:05.357699Z",
"structure_string": "Li15 Fe2 O12\n1.0\n5.448303 0.000000 0.000000\n0.044619 5.824850 0.000000\n0.120315 0.551301 8.072434\nLi Fe O\n15 2 12\ndirect\n0.980976 0.310613 0.652618 Li\n0.854109 0.725826 0.637083 Li\n0.857865 0.438122 0.934105 Li\n0.779553 0.032179 0.273501 Li\n0.632442 0.797038 0.899371 Li\n0.687311 0.480661 0.207108 Li\n0.658384 0.066541 0.565116 Li\n0.516906 0.193176 0.838961 Li\n0.340452 0.898238 0.408022 Li\n0.302956 0.562681 0.795080 Li\n0.373193 0.194781 0.127574 Li\n0.191726 0.945682 0.698836 Li\n0.207106 0.615326 0.086227 Li\n0.125462 0.257001 0.371516 Li\n0.002483 0.680612 0.351709 Li\n0.496178 0.489642 0.503027 Fe\n0.004906 0.010106 0.994991 Fe\n0.849744 0.002900 0.760919 O\n0.861270 0.706053 0.065287 O\n0.786609 0.328668 0.426354 O\n0.642029 0.496674 0.732405 O\n0.714152 0.180179 0.060359 O\n0.668763 0.784914 0.439750 O\n0.330785 0.195061 0.565866 O\n0.294924 0.851363 0.914341 O\n0.348677 0.483812 0.282085 O\n0.200227 0.658373 0.572638 O\n0.178766 0.303455 0.935002 O\n0.129733 0.998444 0.236742 O\n",
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"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
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"volume": 256.1831145006422,
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"formula_full": "Li15 Fe2 O12",
"formula_reduced": "Li15(FeO6)2",
"formula_anonymous": "A2B12C15",
"energy": -160.38358262,
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"updated_at": "2021-11-28T01:36:47.539000Z",
"spacegroup": 1
},
{
"id": "mp-1176226",
"created_at": "2022-09-04T14:40:55.614021Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.962598 0.000000 0.000000\n-1.691934 7.570434 0.000000\n-1.523336 -1.481566 7.524449\nLi Mn Co O\n9 2 5 16\ndirect\n0.477968 0.738740 0.737147 Li\n0.000173 0.383862 0.140716 Li\n0.515163 0.993284 0.499611 Li\n0.997656 0.855463 0.615057 Li\n0.502735 0.505465 0.006631 Li\n0.015605 0.134218 0.386708 Li\n0.989286 0.620448 0.864322 Li\n0.512636 0.259885 0.259513 Li\n0.997056 0.496356 0.498120 Li\n0.996999 0.999643 0.994032 Mn\n0.999723 0.255008 0.750129 Mn\n0.500845 0.616831 0.382854 Co\n0.501152 0.877702 0.121953 Co\n0.497173 0.126112 0.872468 Co\n0.999439 0.748285 0.258663 Co\n0.490302 0.376428 0.622589 Co\n0.751027 0.772576 0.004249 O\n0.264597 0.372882 0.381516 O\n0.759573 0.017447 0.768729 O\n0.239907 0.896531 0.872108 O\n0.740324 0.511513 0.250704 O\n0.265387 0.144191 0.648082 O\n0.254111 0.651602 0.131162 O\n0.761024 0.249727 0.531021 O\n0.264803 0.748517 0.487383 O\n0.753663 0.353624 0.872129 O\n0.246333 0.995558 0.218808 O\n0.770752 0.873955 0.367299 O\n0.248456 0.479028 0.756158 O\n0.730884 0.108250 0.098833 O\n0.720473 0.605892 0.621047 O\n0.234774 0.230973 0.980257 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.247014053359131,
"density_atomic": 0.11319973277394296,
"volume": 282.6861796918125,
"volume_molar": 5.319924890658589,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.42814149,
"energy_per_atom": -6.4821294215625,
"energy_above_hull": null,
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"energy_uncorrected": -184.91014149,
"band_gap": 0.5449999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 26.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.520000Z",
"spacegroup": 1
},
{
"id": "mp-1272379",
"created_at": "2022-09-04T14:47:30.187585Z",
"structure_string": "Co4 H8 O8\n1.0\n-4.761827 2.876594 -0.340989\n-3.145009 -5.545437 -0.563054\n3.642100 0.189031 5.352679\nCo H O\n4 8 8\ndirect\n0.032916 0.976834 0.976305 Co\n0.534177 0.728945 0.976340 Co\n0.032651 0.476601 0.975970 Co\n0.534439 0.229145 0.976408 Co\n0.954530 0.554580 0.570644 H\n0.455839 0.306467 0.570093 H\n0.954670 0.054411 0.570720 H\n0.455881 0.806540 0.570091 H\n0.616639 0.647574 0.381798 H\n0.115656 0.397632 0.382288 H\n0.616905 0.147677 0.381993 H\n0.115976 0.897568 0.382447 H\n0.075164 0.641036 0.766523 O\n0.574970 0.392745 0.765983 O\n0.075230 0.141092 0.766571 O\n0.574916 0.892777 0.765987 O\n0.492450 0.563749 0.185810 O\n0.992843 0.312691 0.186337 O\n0.492815 0.063984 0.185978 O\n0.992629 0.812503 0.186503 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"H",
"O"
],
"chemical_system": "Co-H-O",
"density": 3.494304442179086,
"density_atomic": 0.11319889355387529,
"volume": 176.68017214745393,
"volume_molar": 5.3199643308649955,
"formula_full": "Co4 H8 O8",
"formula_reduced": "Co(HO)2",
"formula_anonymous": "AB2C2",
"energy": -119.9295368,
"energy_per_atom": -5.99647684,
"energy_above_hull": null,
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"energy_uncorrected": -107.8815368,
"band_gap": 2.2674,
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"total_magnetization": 3.64e-05,
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"updated_at": "2021-11-28T01:38:09.528000Z",
"spacegroup": 12
},
{
"id": "mp-1175653",
"created_at": "2022-09-04T14:43:58.443420Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.792252 0.000000 0.000000\n-1.437630 -6.439005 0.000000\n-1.522586 0.271262 -7.579520\nLi Mn Co O\n9 2 5 16\ndirect\n0.372257 0.376081 0.126676 Li\n0.613451 0.115420 0.376537 Li\n0.622466 0.632104 0.874042 Li\n0.880313 0.381543 0.126638 Li\n0.873031 0.873095 0.619525 Li\n0.133325 0.628031 0.880565 Li\n0.132937 0.120083 0.381131 Li\n0.372162 0.871002 0.615398 Li\n0.252999 0.755466 0.249854 Li\n0.005613 0.995944 0.004182 Mn\n0.747125 0.751932 0.248263 Mn\n0.495308 0.508549 0.494036 Co\n0.743848 0.246554 0.745787 Co\n0.498121 0.996022 0.001926 Co\n0.007084 0.510100 0.495965 Co\n0.249678 0.251966 0.749621 Co\n0.306407 0.058661 0.166054 O\n0.573713 0.804425 0.427190 O\n0.548901 0.284968 0.928903 O\n0.805772 0.044384 0.174061 O\n0.806305 0.547072 0.673914 O\n0.049875 0.289832 0.935563 O\n0.042635 0.804053 0.428272 O\n0.312247 0.552894 0.686176 O\n0.456866 0.708977 0.069706 O\n0.692695 0.464490 0.305952 O\n0.696062 0.947507 0.831425 O\n0.932147 0.710838 0.068353 O\n0.948859 0.196093 0.577110 O\n0.191399 0.942523 0.834316 O\n0.190609 0.436155 0.331447 O\n0.445790 0.193236 0.571415 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.246981419686551,
"density_atomic": 0.11319886295741562,
"volume": 282.68835184358795,
"volume_molar": 5.319965768795288,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.86090537,
"energy_per_atom": -6.5269032928125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -186.34290537,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.255000Z",
"spacegroup": 1
},
{
"id": "mp-1187494",
"created_at": "2022-09-04T14:44:23.730718Z",
"structure_string": "Tl1 B1 O3\n1.0\n3.534910 0.000000 0.000000\n0.000000 3.534910 0.000000\n0.000000 0.000000 3.534910\nTl B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
"Tl",
"B",
"O"
],
"chemical_system": "B-O-Tl",
"density": 9.894355808092861,
"density_atomic": 0.11319700110460999,
"volume": 44.17078148014977,
"volume_molar": 5.320053271053262,
"formula_full": "Tl1 B1 O3",
"formula_reduced": "TlBO3",
"formula_anonymous": "ABC3",
"energy": -28.09055454,
"energy_per_atom": -5.618110908,
"energy_above_hull": null,
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"energy_uncorrected": -26.02955454,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.311000Z",
"spacegroup": 221
},
{
"id": "mp-1175775",
"created_at": "2022-09-04T14:42:48.300035Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.934196 0.000000 0.000000\n-1.653864 -6.232544 0.000000\n-1.887690 0.309682 -7.643477\nLi Mn Co O\n9 2 5 16\ndirect\n0.126365 0.619050 0.870770 Li\n0.746430 0.247876 0.747697 Li\n0.008237 0.492349 0.503672 Li\n0.621284 0.126225 0.379686 Li\n0.877490 0.376628 0.123647 Li\n0.497063 0.011679 0.992003 Li\n0.374369 0.879583 0.623215 Li\n0.249122 0.748178 0.256015 Li\n0.248133 0.251205 0.747753 Li\n0.005385 0.001161 0.997990 Mn\n0.618587 0.620380 0.873415 Mn\n0.872346 0.880357 0.625143 Co\n0.490350 0.498316 0.504087 Co\n0.123326 0.126537 0.382252 Co\n0.754907 0.747838 0.250915 Co\n0.380684 0.371358 0.120283 Co\n0.929729 0.699118 0.051114 O\n0.568926 0.331602 0.933154 O\n0.783235 0.578866 0.691913 O\n0.424635 0.198775 0.545486 O\n0.674031 0.450577 0.300830 O\n0.306177 0.069093 0.171831 O\n0.150767 0.941180 0.818828 O\n0.052737 0.820626 0.428799 O\n0.329320 0.572082 0.698521 O\n0.930842 0.167164 0.561205 O\n0.200346 0.424497 0.323804 O\n0.841846 0.044396 0.187007 O\n0.076753 0.302234 0.957380 O\n0.695825 0.931911 0.831091 O\n0.577073 0.797565 0.441930 O\n0.463686 0.671590 0.058563 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.246880804662698,
"density_atomic": 0.11319618116882955,
"volume": 282.69504915782204,
"volume_molar": 5.320091806823513,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.86011583,
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"updated_at": "2021-11-28T01:35:53.696000Z",
"spacegroup": 1
},
{
"id": "mp-778315",
"created_at": "2022-09-04T14:43:52.098591Z",
"structure_string": "Li10 Mn3 Co2 Ni3 O16\n1.0\n5.943178 0.000000 0.000000\n-2.944860 5.172583 0.000000\n-0.176626 -0.258744 9.771042\nLi Mn Co Ni O\n10 3 2 3 16\ndirect\n0.167792 0.797469 0.070264 Li\n0.192521 0.416952 0.057724 Li\n0.357408 0.681004 0.281630 Li\n0.783159 0.182340 0.545959 Li\n0.397057 0.203866 0.553868 Li\n0.693213 0.363552 0.779977 Li\n0.634149 0.811363 0.067601 Li\n0.779003 0.619863 0.546515 Li\n0.032605 0.033130 0.984574 Li\n0.020045 0.016260 0.478386 Li\n0.350105 0.176645 0.283024 Mn\n0.189522 0.359666 0.782549 Mn\n0.189925 0.852144 0.784394 Mn\n0.682952 0.341060 0.033081 Co\n0.349581 0.681716 0.525096 Co\n0.686907 0.854658 0.786877 Ni\n0.842651 0.176760 0.286530 Ni\n0.842129 0.670493 0.288399 Ni\n0.024610 0.009041 0.173028 O\n0.038282 0.027201 0.676543 O\n0.196855 0.337661 0.400974 O\n0.350965 0.187199 0.894172 O\n0.500833 0.015735 0.163691 O\n0.031005 0.526834 0.667149 O\n0.499476 0.479742 0.162082 O\n0.340517 0.681011 0.896672 O\n0.661108 0.336132 0.403529 O\n0.491957 0.512002 0.670614 O\n0.200667 0.870902 0.401304 O\n0.884495 0.207480 0.900481 O\n0.492501 0.995980 0.671148 O\n0.981086 0.490189 0.163605 O\n0.687580 0.847612 0.418932 O\n0.886856 0.708162 0.900924 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
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"Mn",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Mn-Ni-O",
"density": 4.334982212306832,
"density_atomic": 0.11319098289186494,
"volume": 300.37728387323324,
"volume_molar": 5.320336131150261,
"formula_full": "Li10 Mn3 Co2 Ni3 O16",
"formula_reduced": "Li10Mn3Co2Ni3O16",
"formula_anonymous": "A2B3C3D10E16",
"energy": -218.46825039,
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"updated_at": "2021-11-28T01:36:24.887000Z",
"spacegroup": 1
},
{
"id": "mp-1175470",
"created_at": "2022-09-04T14:42:04.186174Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.909901 0.000000 0.000000\n-0.355193 5.917833 0.000000\n-0.125805 -0.127126 8.083582\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.000000 0.000000 Li\n0.244501 0.741088 0.758660 Li\n0.756119 0.742612 0.244814 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.755499 0.258912 0.241340 Li\n0.243881 0.257388 0.755186 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.758070 0.740334 0.752594 Co\n0.241930 0.259666 0.247406 Co\n0.753019 0.252557 0.751545 Co\n0.500000 0.000000 0.500000 Co\n0.246981 0.747443 0.248455 Co\n0.243483 0.237743 0.013738 O\n0.998310 0.978865 0.760162 O\n0.480443 0.986606 0.267459 O\n0.228130 0.774773 0.014081 O\n0.739835 0.738253 0.511234 O\n0.496059 0.484838 0.260719 O\n0.980799 0.482119 0.749090 O\n0.718379 0.264297 0.508148 O\n0.756517 0.762257 0.986262 O\n0.503941 0.515162 0.739281 O\n0.019201 0.517881 0.250910 O\n0.771870 0.225227 0.985919 O\n0.260165 0.261747 0.488766 O\n0.001690 0.021135 0.239838 O\n0.519557 0.013394 0.732541 O\n0.281621 0.735703 0.491852 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.246601564931673,
"density_atomic": 0.11318873832486087,
"volume": 282.71363806669,
"volume_molar": 5.320441635029067,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.86814084,
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"spacegroup": 2
},
{
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