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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=10226",
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"results": [
{
"id": "mp-1175317",
"created_at": "2022-09-04T14:47:35.272546Z",
"structure_string": "Li14 Mn10 O24\n1.0\n4.975118 -0.037708 -1.097136\n1.385447 7.316172 5.044722\n3.214431 -7.569365 5.891246\nLi Mn O\n14 10 24\ndirect\n0.499993 0.166693 0.000036 Li\n0.000015 0.666668 0.500030 Li\n0.250032 0.416704 0.251411 Li\n0.749987 0.916626 0.748601 Li\n0.253788 0.417195 0.753271 Li\n0.746222 0.916162 0.246763 Li\n0.505844 0.498684 0.995928 Li\n0.003781 0.012083 0.500777 Li\n0.494207 0.834645 0.004097 Li\n0.996123 0.321267 0.499235 Li\n0.734374 0.255376 0.752781 Li\n0.238280 0.754538 0.247009 Li\n0.761799 0.578714 0.752989 Li\n0.265636 0.077897 0.247184 Li\n0.500254 0.166596 0.499972 Mn\n0.000003 0.666548 0.999919 Mn\n0.988685 0.996251 0.999315 Mn\n0.499636 0.497031 0.501019 Mn\n0.011331 0.337078 0.000647 Mn\n0.500322 0.836279 0.499007 Mn\n0.248911 0.744059 0.746495 Mn\n0.750946 0.241925 0.248985 Mn\n0.750931 0.589239 0.253580 Mn\n0.248884 0.091418 0.751041 Mn\n0.856548 0.471170 0.376609 O\n0.340311 0.945306 0.860504 O\n0.659731 0.388047 0.139481 O\n0.143501 0.862167 0.623354 O\n0.107387 0.215995 0.128932 O\n0.600640 0.720584 0.630198 O\n0.399486 0.612773 0.369766 O\n0.892596 0.117382 0.871017 O\n0.361389 0.294595 0.887461 O\n0.843844 0.775152 0.370336 O\n0.156197 0.558198 0.629685 O\n0.638579 0.038765 0.112538 O\n0.104363 0.561425 0.131406 O\n0.606819 0.056873 0.626485 O\n0.895774 0.771948 0.868566 O\n0.393055 0.276483 0.373507 O\n0.350241 0.636485 0.875310 O\n0.849801 0.130034 0.377227 O\n0.649810 0.696907 0.124724 O\n0.149992 0.203289 0.622783 O\n0.105683 0.860519 0.105572 O\n0.613226 0.360740 0.606318 O\n0.894371 0.472895 0.894438 O\n0.386673 0.972595 0.393691 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.876745316335219,
"density_atomic": 0.10874130391128915,
"volume": 441.414607637575,
"volume_molar": 5.5380435431534325,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.87775958000003,
"energy_per_atom": -7.080786657916668,
"energy_above_hull": null,
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"energy_uncorrected": -306.70975958,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.219000Z",
"spacegroup": 2
},
{
"id": "mp-1646544",
"created_at": "2022-09-04T14:47:08.744084Z",
"structure_string": "Li14 Mn10 O24\n1.0\n-0.138175 0.013529 6.518876\n6.231572 6.115997 2.212247\n-4.789207 6.160860 0.285281\nLi Mn O\n14 10 24\ndirect\n0.251690 0.416302 0.245983 Li\n0.748433 0.916996 0.753930 Li\n0.628678 0.550032 0.116622 Li\n0.126610 0.050978 0.619346 Li\n0.371300 0.783287 0.883353 Li\n0.873415 0.282365 0.380528 Li\n0.613219 0.207414 0.130072 Li\n0.113736 0.716171 0.627183 Li\n0.886342 0.617093 0.372838 Li\n0.386855 0.125859 0.869932 Li\n0.622390 0.879793 0.113589 Li\n0.122142 0.368480 0.619848 Li\n0.377612 0.453628 0.886370 Li\n0.877837 0.964889 0.380052 Li\n0.499935 0.166699 0.500082 Mn\n0.999975 0.666627 0.000082 Mn\n0.992270 0.997010 0.003629 Mn\n0.499530 0.497063 0.499852 Mn\n0.007795 0.336317 0.996285 Mn\n0.500517 0.836284 0.500092 Mn\n0.248903 0.744272 0.255998 Mn\n0.749048 0.241362 0.753286 Mn\n0.751087 0.589080 0.744003 Mn\n0.250911 0.092027 0.246724 Mn\n0.557303 0.341573 0.341306 O\n0.054294 0.841221 0.844251 O\n0.945683 0.491979 0.155857 O\n0.442648 0.991728 0.658763 O\n0.046678 0.541349 0.808890 O\n0.548150 0.036451 0.316533 O\n0.953291 0.791986 0.191218 O\n0.451720 0.297004 0.683606 O\n0.045160 0.195219 0.812630 O\n0.541659 0.701115 0.311141 O\n0.458346 0.632222 0.688804 O\n0.954856 0.138125 0.187296 O\n0.294262 0.616382 0.069440 O\n0.794547 0.110911 0.565683 O\n0.705720 0.716903 0.930636 O\n0.205351 0.222478 0.434380 O\n0.298335 0.273950 0.052368 O\n0.789443 0.756373 0.575632 O\n0.701695 0.059354 0.947595 O\n0.210586 0.576946 0.424332 O\n0.800764 0.451210 0.565133 O\n0.291363 0.927236 0.087525 O\n0.708650 0.406097 0.912456 O\n0.199269 0.882160 0.434849 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8655820111812,
"density_atomic": 0.10842817723946661,
"volume": 442.6893564206164,
"volume_molar": 5.55403670274742,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.88315027,
"energy_per_atom": -7.080898963958333,
"energy_above_hull": null,
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"energy_uncorrected": -306.71515027,
"band_gap": 0.9474999999999998,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.402000Z",
"spacegroup": 2
},
{
"id": "mp-707762",
"created_at": "2022-09-04T14:42:27.872302Z",
"structure_string": "K4 Ca2 H16 N24 O8\n1.0\n5.576263 -9.441271 0.000000\n5.576263 9.441271 0.000000\n0.000000 0.000000 6.216542\nK Ca H N O\n4 2 16 24 8\ndirect\n0.168505 0.831495 0.000000 K\n0.331495 0.668505 0.500000 K\n0.668505 0.331495 0.500000 K\n0.831495 0.168505 0.000000 K\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.220848 0.391694 0.165966 H\n0.891694 0.720848 0.665966 H\n0.108306 0.279152 0.665966 H\n0.779152 0.608306 0.165966 H\n0.279152 0.108306 0.334034 H\n0.608306 0.779152 0.834034 H\n0.391694 0.220848 0.834034 H\n0.720848 0.891694 0.334034 H\n0.229071 0.512587 0.020316 H\n0.012587 0.729071 0.520316 H\n0.987413 0.270929 0.520316 H\n0.770929 0.487413 0.020316 H\n0.270929 0.987413 0.479684 H\n0.487413 0.770929 0.979684 H\n0.512587 0.229071 0.979684 H\n0.729071 0.012587 0.479684 H\n0.123670 0.555216 0.831680 N\n0.055216 0.623670 0.331680 N\n0.944784 0.376330 0.331680 N\n0.876330 0.444784 0.831680 N\n0.376330 0.944784 0.668320 N\n0.444784 0.876330 0.168320 N\n0.555216 0.123670 0.168320 N\n0.623670 0.055216 0.668320 N\n0.000000 0.500000 0.832989 N\n0.000000 0.500000 0.332989 N\n0.500000 0.000000 0.667011 N\n0.500000 0.000000 0.167011 N\n0.169127 0.093705 0.846680 N\n0.593705 0.669127 0.346680 N\n0.406295 0.330873 0.346680 N\n0.830873 0.906295 0.846680 N\n0.330873 0.406295 0.653320 N\n0.906295 0.830873 0.153320 N\n0.093705 0.169127 0.153320 N\n0.669127 0.593705 0.653320 N\n0.631080 0.631080 0.500000 N\n0.131080 0.131080 0.000000 N\n0.868920 0.868920 0.000000 N\n0.368920 0.368920 0.500000 N\n0.283641 0.489397 0.126164 O\n0.989397 0.783641 0.626164 O\n0.010603 0.216359 0.626164 O\n0.716359 0.510603 0.126164 O\n0.216359 0.010603 0.373836 O\n0.510603 0.716359 0.873836 O\n0.489397 0.283641 0.873836 O\n0.783641 0.989397 0.373836 O\n",
"nsites": 54,
"nelements": 5,
"elements": [
"K",
"Ca",
"H",
"N",
"O"
],
"chemical_system": "Ca-H-K-N-O",
"density": 1.8185031052572969,
"density_atomic": 0.08249757439922312,
"volume": 654.5646995471968,
"volume_molar": 7.299779180000606,
"formula_full": "K4 Ca2 H16 N24 O8",
"formula_reduced": "K2CaH8(N3O)4",
"formula_anonymous": "AB2C4D8E12",
"energy": -339.88631177,
"energy_per_atom": -6.294190958703704,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -331.52631177,
"band_gap": 3.93,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.476000Z",
"spacegroup": 68
},
{
"id": "mp-646283",
"created_at": "2022-09-04T14:39:45.299115Z",
"structure_string": "As18 Pb14 S40\n1.0\n25.978664 0.000000 0.000000\n0.000000 8.359604 0.000000\n0.000000 0.018630 8.408709\nAs Pb S\n18 14 40\ndirect\n0.265695 0.621751 0.121208 As\n0.765695 0.378249 0.878792 As\n0.158356 0.262950 0.623215 As\n0.658356 0.737050 0.376785 As\n0.275117 0.272309 0.402020 As\n0.775117 0.727691 0.597980 As\n0.151676 0.887311 0.922983 As\n0.651676 0.112689 0.077017 As\n0.136938 0.881755 0.355216 As\n0.636938 0.118245 0.644784 As\n0.052789 0.566797 0.394988 As\n0.552789 0.433203 0.605012 As\n0.043701 0.554248 0.870249 As\n0.543701 0.445752 0.129751 As\n0.364306 0.928249 0.627481 As\n0.864306 0.071751 0.372519 As\n0.356020 0.933773 0.173588 As\n0.856020 0.066227 0.826412 As\n0.239929 0.650052 0.646051 Pb\n0.739928 0.349948 0.353949 Pb\n0.628010 0.715000 0.880501 Pb\n0.128010 0.285000 0.119499 Pb\n0.273334 0.184000 0.876672 Pb\n0.773334 0.816000 0.123328 Pb\n0.415654 0.537775 0.379051 Pb\n0.915654 0.462225 0.620949 Pb\n0.414230 0.557771 0.884847 Pb\n0.914230 0.442229 0.115153 Pb\n0.507422 0.053178 0.374641 Pb\n0.007422 0.946822 0.625359 Pb\n0.501116 0.054894 0.873848 Pb\n0.001116 0.945106 0.126152 Pb\n0.023435 0.406019 0.649749 S\n0.523435 0.593981 0.350251 S\n0.081999 0.092481 0.361708 S\n0.581999 0.907519 0.638292 S\n0.306747 0.759683 0.324737 S\n0.806747 0.240317 0.675263 S\n0.314673 0.414657 0.595774 S\n0.814673 0.585343 0.404226 S\n0.384394 0.080503 0.396018 S\n0.884394 0.919497 0.603982 S\n0.435360 0.764354 0.625365 S\n0.935360 0.235646 0.374635 S\n0.478830 0.291142 0.624484 S\n0.978830 0.708858 0.375516 S\n0.098677 0.734262 0.568758 S\n0.598677 0.265738 0.431242 S\n0.098231 0.726893 0.163175 S\n0.311977 0.388719 0.156420 S\n0.598231 0.273107 0.836825 S\n0.519715 0.612087 0.925532 S\n0.092675 0.074009 0.861973 S\n0.592675 0.925991 0.138027 S\n0.201328 0.026348 0.095588 S\n0.701328 0.973652 0.904412 S\n0.214650 0.061831 0.614251 S\n0.714650 0.938169 0.385749 S\n0.191661 0.418083 0.831107 S\n0.691661 0.581917 0.168893 S\n0.199495 0.418562 0.390817 S\n0.699495 0.581438 0.609183 S\n0.306572 0.728262 0.907877 S\n0.806572 0.271738 0.092123 S\n0.974048 0.724109 0.871842 S\n0.474048 0.275891 0.128158 S\n0.928346 0.212778 0.862232 S\n0.428346 0.787222 0.137768 S\n0.887895 0.906238 0.182752 S\n0.387895 0.093762 0.817248 S\n0.811977 0.611281 0.843580 S\n0.019715 0.387913 0.074468 S\n",
"nsites": 72,
"nelements": 3,
"elements": [
"As",
"Pb",
"S"
],
"chemical_system": "As-Pb-S",
"density": 5.030353998106217,
"density_atomic": 0.039427628448884616,
"volume": 1826.1306305385162,
"volume_molar": 15.273910698959028,
"formula_full": "As18 Pb14 S40",
"formula_reduced": "As9Pb7S20",
"formula_anonymous": "A7B9C20",
"energy": -339.91232324,
"energy_per_atom": -4.721004489444444,
"energy_above_hull": null,
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"energy_uncorrected": -319.79232324,
"band_gap": 0.1430000000000006,
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"updated_at": "2021-11-28T01:34:44.661000Z",
"spacegroup": 4
},
{
"id": "mp-1644153",
"created_at": "2022-09-04T14:42:28.173112Z",
"structure_string": "Li14 Mn10 O24\n1.0\n0.782827 6.129231 -2.012784\n-4.901355 6.166173 6.786460\n5.447329 -0.018702 4.239955\nLi Mn O\n14 10 24\ndirect\n0.415236 0.248518 0.418007 Li\n0.918171 0.751454 0.915271 Li\n0.795466 0.873405 0.305259 Li\n0.296995 0.372286 0.808068 Li\n0.036294 0.627773 0.525348 Li\n0.537960 0.126571 0.027993 Li\n0.975742 0.365626 0.459926 Li\n0.463164 0.877039 0.946654 Li\n0.870344 0.122903 0.386702 Li\n0.357625 0.634380 0.873483 Li\n0.125540 0.866549 0.635926 Li\n0.617331 0.373060 0.119412 Li\n0.207980 0.133496 0.697405 Li\n0.715908 0.627007 0.213964 Li\n0.166453 0.500014 0.166704 Mn\n0.002236 0.998701 0.990070 Mn\n0.496745 0.499626 0.498828 Mn\n0.331124 0.001281 0.343219 Mn\n0.836413 0.500421 0.834517 Mn\n0.666759 0.999955 0.666688 Mn\n0.747347 0.252812 0.741036 Mn\n0.243312 0.751764 0.238707 Mn\n0.586020 0.747174 0.592293 Mn\n0.089901 0.248275 0.094653 Mn\n0.233586 0.449940 0.447959 O\n0.734273 0.948254 0.946357 O\n0.599209 0.051704 0.386946 O\n0.099623 0.550096 0.885410 O\n0.423516 0.928100 0.656553 O\n0.919370 0.430751 0.155071 O\n0.909901 0.071893 0.676761 O\n0.413813 0.569257 0.178261 O\n0.078954 0.928849 0.312676 O\n0.584818 0.426541 0.813920 O\n0.748406 0.573431 0.519386 O\n0.254457 0.071180 0.020629 O\n0.503726 0.182121 0.728580 O\n0.995302 0.680171 0.225002 O\n0.829681 0.817818 0.604752 O\n0.337914 0.319871 0.108357 O\n0.150917 0.174431 0.394991 O\n0.649254 0.682875 0.863563 O\n0.684027 0.317101 0.469740 O\n0.182546 0.825541 0.938356 O\n0.334377 0.682070 0.567626 O\n0.823996 0.190208 0.029000 O\n0.509347 0.809766 0.304298 O\n0.998919 0.317939 0.765675 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.872051228103523,
"density_atomic": 0.10860963643423346,
"volume": 441.9497346265909,
"volume_molar": 5.544757314095784,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.91266063,
"energy_per_atom": -7.081513763125,
"energy_above_hull": null,
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"energy_uncorrected": -306.74466063,
"band_gap": 0.9553000000000004,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:52.971000Z",
"spacegroup": 2
},
{
"id": "mp-1200664",
"created_at": "2022-09-04T14:39:08.909545Z",
"structure_string": "Sr4 Cr8 O40\n1.0\n14.997645 0.000000 0.000000\n0.000000 7.276327 0.000000\n0.000000 2.482636 8.589936\nSr Cr O\n4 8 40\ndirect\n0.382784 0.313341 0.806762 Sr\n0.882784 0.186659 0.193238 Sr\n0.617216 0.686659 0.193238 Sr\n0.117216 0.813341 0.806762 Sr\n0.629828 0.096682 0.787785 Cr\n0.129828 0.403318 0.212215 Cr\n0.370172 0.903318 0.212215 Cr\n0.870172 0.596682 0.787785 Cr\n0.358000 0.903498 0.598243 Cr\n0.858000 0.596502 0.401757 Cr\n0.642000 0.096502 0.401757 Cr\n0.142000 0.403498 0.598243 Cr\n0.268220 0.843487 0.170749 O\n0.768220 0.656513 0.829251 O\n0.731780 0.156513 0.829251 O\n0.231780 0.343487 0.170749 O\n0.439499 0.729007 0.216870 O\n0.939499 0.770993 0.783130 O\n0.560501 0.270993 0.783130 O\n0.060501 0.229007 0.216870 O\n0.400499 0.090238 0.073065 O\n0.900499 0.409762 0.926935 O\n0.599501 0.909762 0.926935 O\n0.099501 0.590238 0.073065 O\n0.371204 0.957255 0.393689 O\n0.871204 0.542745 0.606311 O\n0.628796 0.042745 0.606311 O\n0.128796 0.457255 0.393689 O\n0.251713 0.904339 0.639187 O\n0.751713 0.595661 0.360813 O\n0.748287 0.095661 0.360813 O\n0.248287 0.404339 0.639187 O\n0.407724 0.070675 0.658556 O\n0.907724 0.429325 0.341444 O\n0.592276 0.929325 0.341444 O\n0.092276 0.570675 0.658556 O\n0.399408 0.693853 0.687641 O\n0.899408 0.806147 0.312359 O\n0.600592 0.306147 0.312359 O\n0.100592 0.193853 0.687641 O\n0.462675 0.463629 0.502071 O\n0.962675 0.036371 0.497929 O\n0.537325 0.536371 0.497929 O\n0.037325 0.963629 0.502071 O\n0.225540 0.996867 0.955330 O\n0.725540 0.503133 0.044670 O\n0.774460 0.003133 0.044670 O\n0.274460 0.496867 0.955330 O\n0.478921 0.453300 0.057963 O\n0.978921 0.046700 0.942037 O\n0.521079 0.546700 0.942037 O\n0.021079 0.953300 0.057963 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Sr",
"Cr",
"O"
],
"chemical_system": "Cr-O-Sr",
"density": 2.4913824890202543,
"density_atomic": 0.055472550977153416,
"volume": 937.4005536795379,
"volume_molar": 10.856073236077142,
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