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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=10171",
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"results": [
{
"id": "mp-17339",
"created_at": "2022-09-04T14:42:24.443119Z",
"structure_string": "Ba5 Ho8 Mn4 O21\n1.0\n5.548281 0.000000 1.627335\n2.774141 9.878931 0.813667\n-0.006264 0.000000 10.293257\nBa Ho Mn O\n5 8 4 21\ndirect\n0.465326 0.395295 0.674054 Ba\n0.139379 0.325946 0.395295 Ba\n0.860621 0.674054 0.604705 Ba\n0.534674 0.604706 0.325946 Ba\n0.000000 0.000000 0.000000 Ba\n0.589486 0.051349 0.769681 Ho\n0.359165 0.230320 0.051349 Ho\n0.640834 0.769681 0.948651 Ho\n0.410514 0.948651 0.230319 Ho\n0.751655 0.077930 0.418759 Ho\n0.170414 0.581241 0.077930 Ho\n0.829586 0.418759 0.922070 Ho\n0.248344 0.922070 0.581241 Ho\n0.959992 0.792002 0.288016 Mn\n0.248007 0.711984 0.792001 Mn\n0.751993 0.288016 0.207999 Mn\n0.040008 0.207999 0.711984 Mn\n0.102034 0.893842 0.405759 O\n0.507792 0.594241 0.893842 O\n0.995875 0.405759 0.106158 O\n0.401634 0.106158 0.594241 O\n0.897967 0.106158 0.594241 O\n0.492208 0.405759 0.106158 O\n0.004124 0.594241 0.893842 O\n0.598366 0.893842 0.405759 O\n0.925041 0.871816 0.773902 O\n0.698944 0.226098 0.871816 O\n0.796857 0.773902 0.128184 O\n0.570760 0.128184 0.226098 O\n0.074959 0.128184 0.226098 O\n0.301056 0.773902 0.128184 O\n0.203143 0.226098 0.871816 O\n0.429240 0.871816 0.773902 O\n0.372750 0.666506 0.587995 O\n0.500001 0.000000 0.000000 O\n0.627252 0.333494 0.412005 O\n0.960745 0.412004 0.666506 O\n0.039255 0.587995 0.333494 O\n",
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"elements": [
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"O"
],
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"density": 7.538735337119369,
"density_atomic": 0.06734182299958776,
"volume": 564.2852882113486,
"volume_molar": 8.942645880015553,
"formula_full": "Ba5 Ho8 Mn4 O21",
"formula_reduced": "Ba5Ho8Mn4O21",
"formula_anonymous": "A4B5C8D21",
"energy": -311.87117886,
"energy_per_atom": -8.207136285789474,
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"band_gap": 0.5823,
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"is_magnetic": true,
"total_magnetization": 20.0015045,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.858000Z",
"spacegroup": 87
},
{
"id": "mp-581206",
"created_at": "2022-09-04T14:43:03.984458Z",
"structure_string": "Ba5 Eu8 Zn4 O21\n1.0\n-7.084719 7.084719 2.919047\n7.084719 -7.084719 2.919047\n7.084719 7.084719 -2.919047\nBa Eu Zn O\n5 8 4 21\ndirect\n0.468113 0.861752 0.329865 Ba\n0.861752 0.531887 0.393639 Ba\n0.000000 0.000000 0.000000 Ba\n0.138248 0.468113 0.606361 Ba\n0.531887 0.138248 0.670135 Ba\n0.410220 0.358287 0.768507 Eu\n0.250377 0.165711 0.416088 Eu\n0.641713 0.410220 0.051933 Eu\n0.589780 0.641713 0.231493 Eu\n0.358287 0.589780 0.948067 Eu\n0.165711 0.749623 0.915334 Eu\n0.749623 0.834289 0.583912 Eu\n0.834289 0.250377 0.084666 Eu\n0.252710 0.957866 0.210576 Zn\n0.042134 0.252710 0.294844 Zn\n0.957866 0.747290 0.705156 Zn\n0.747290 0.042134 0.789424 Zn\n0.610355 0.495665 0.592907 O\n0.575162 0.710392 0.775991 O\n0.799171 0.575162 0.864770 O\n0.289608 0.065599 0.864770 O\n0.200829 0.424838 0.135230 O\n0.504335 0.097242 0.114690 O\n0.424838 0.289608 0.224009 O\n0.031215 0.625232 0.656447 O\n0.625232 0.968785 0.594016 O\n0.017448 0.610355 0.114690 O\n0.374768 0.031215 0.405984 O\n0.710392 0.934401 0.135230 O\n0.097242 0.982552 0.592907 O\n0.934401 0.799171 0.224009 O\n0.389645 0.504335 0.407093 O\n0.495665 0.902758 0.885310 O\n0.968785 0.374768 0.343553 O\n0.065599 0.200829 0.775991 O\n0.902758 0.017448 0.407093 O\n0.500000 0.500000 0.000000 O\n0.982552 0.389645 0.885310 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ba",
"Eu",
"Zn",
"O"
],
"chemical_system": "Ba-Eu-O-Zn",
"density": 7.083332456310573,
"density_atomic": 0.06483914187255033,
"volume": 586.0657452051707,
"volume_molar": 9.287816874315352,
"formula_full": "Ba5 Eu8 Zn4 O21",
"formula_reduced": "Ba5Eu8Zn4O21",
"formula_anonymous": "A4B5C8D21",
"energy": -306.9749543000001,
"energy_per_atom": -8.078288271052633,
"energy_above_hull": null,
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"energy_uncorrected": -292.5479543,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.874000Z",
"spacegroup": 87
},
{
"id": "mp-19460",
"created_at": "2022-09-04T14:46:58.039612Z",
"structure_string": "Ba5 Nd8 Mn4 O21\n1.0\n-7.203802 7.203802 2.973865\n7.203802 -7.203802 2.973865\n7.203802 7.203802 -2.973865\nBa Nd Mn O\n5 8 4 21\ndirect\n0.530742 0.864333 0.395076 Ba\n0.864333 0.469258 0.333591 Ba\n0.135667 0.530742 0.666409 Ba\n0.469258 0.135667 0.604924 Ba\n0.000000 0.000000 0.000000 Ba\n0.410934 0.642954 0.053888 Nd\n0.642954 0.589066 0.232020 Nd\n0.357046 0.410934 0.767980 Nd\n0.589066 0.357046 0.946112 Nd\n0.247151 0.831437 0.078588 Nd\n0.831437 0.752849 0.584287 Nd\n0.168563 0.247151 0.415713 Nd\n0.752849 0.168563 0.921412 Nd\n0.040341 0.747909 0.788250 Mn\n0.747909 0.959659 0.707568 Mn\n0.252091 0.040341 0.292432 Mn\n0.959659 0.252091 0.211750 Mn\n0.901577 0.494779 0.888600 O\n0.494779 0.606180 0.593202 O\n0.012977 0.901577 0.406798 O\n0.606180 0.012977 0.111400 O\n0.098423 0.505221 0.111400 O\n0.505221 0.393820 0.406798 O\n0.987023 0.098423 0.593202 O\n0.393820 0.987023 0.888600 O\n0.068495 0.293673 0.867101 O\n0.293673 0.426572 0.225178 O\n0.201394 0.068495 0.774822 O\n0.426572 0.201394 0.132899 O\n0.931505 0.706327 0.132899 O\n0.706327 0.573428 0.774822 O\n0.798606 0.931505 0.225178 O\n0.573428 0.798606 0.867101 O\n0.622919 0.032113 0.655033 O\n0.500000 0.500000 0.000000 O\n0.377081 0.967887 0.344967 O\n0.967887 0.622919 0.590806 O\n0.032113 0.377081 0.409194 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O",
"density": 6.445957335709667,
"density_atomic": 0.061557194812222334,
"volume": 617.3120805117488,
"volume_molar": 9.783000636026852,
"formula_full": "Ba5 Nd8 Mn4 O21",
"formula_reduced": "Ba5Nd8Mn4O21",
"formula_anonymous": "A4B5C8D21",
"energy": -308.74339593,
"energy_per_atom": -8.124826208684212,
"energy_above_hull": null,
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"energy_uncorrected": -287.64439593,
"band_gap": 1.8889,
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"is_magnetic": true,
"total_magnetization": 20.0000432,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.707000Z",
"spacegroup": 87
},
{
"id": "mp-1223603",
"created_at": "2022-09-04T14:46:20.755096Z",
"structure_string": "Li8 B16 H10 O36\n1.0\n8.094549 -0.066754 2.655923\n4.241661 7.655848 0.396840\n-0.005255 0.068600 10.878559\nLi B H O\n8 16 10 36\ndirect\n0.942343 0.651151 0.116440 Li\n0.068632 0.354785 0.910718 Li\n0.526475 0.683524 0.824170 Li\n0.469569 0.321569 0.183686 Li\n0.272564 0.972339 0.994010 Li\n0.727644 0.029774 0.014794 Li\n0.960877 0.387980 0.678751 Li\n0.513878 0.979711 0.496924 Li\n0.739305 0.445182 0.072052 B\n0.263058 0.554088 0.924730 B\n0.555404 0.864366 0.213081 B\n0.449209 0.129576 0.786069 B\n0.720190 0.000855 0.282182 B\n0.281066 0.996442 0.715033 B\n0.868576 0.167073 0.172434 B\n0.131522 0.832517 0.828021 B\n0.730008 0.216702 0.413287 B\n0.258784 0.784800 0.585054 B\n0.067160 0.856857 0.193555 B\n0.933241 0.142071 0.808149 B\n0.419347 0.694738 0.147633 B\n0.582539 0.306636 0.849109 B\n0.663730 0.731070 0.985271 B\n0.344607 0.268320 0.013290 B\n0.824775 0.773032 0.813335 H\n0.168595 0.288843 0.195179 H\n0.850432 0.433603 0.282609 H\n0.148545 0.568386 0.707344 H\n0.637273 0.255309 0.614279 H\n0.345961 0.739319 0.389830 H\n0.708953 0.440157 0.564522 H\n0.237615 0.526029 0.441390 H\n0.845430 0.590917 0.349621 H\n0.259271 0.366886 0.660543 H\n0.802400 0.546074 0.989998 O\n0.202782 0.448550 0.001700 O\n0.233209 0.712978 0.185363 O\n0.771986 0.287211 0.806149 O\n0.725286 0.537921 0.614657 O\n0.269647 0.413586 0.392175 O\n0.821816 0.260377 0.302455 O\n0.168335 0.742509 0.699913 O\n0.475097 0.751748 0.019323 O\n0.533547 0.247368 0.975162 O\n0.719721 0.120168 0.182043 O\n0.279013 0.881422 0.816895 O\n0.554664 0.504887 0.145738 O\n0.448457 0.494984 0.850739 O\n0.905154 0.842839 0.248428 O\n0.093793 0.159052 0.749975 O\n0.677263 0.091187 0.412847 O\n0.316708 0.907944 0.587188 O\n0.055490 0.009953 0.144284 O\n0.942618 0.992339 0.858661 O\n0.673942 0.838482 0.083882 O\n0.335968 0.154150 0.915180 O\n0.433755 0.796442 0.247603 O\n0.567078 0.202589 0.748958 O\n0.571595 0.951435 0.306123 O\n0.428465 0.048187 0.691126 O\n0.881626 0.280516 0.070804 O\n0.120784 0.718386 0.927779 O\n0.888192 0.526698 0.264064 O\n0.138033 0.456998 0.716105 O\n0.686471 0.305789 0.532798 O\n0.288585 0.697660 0.471309 O\n0.702760 0.779872 0.853228 O\n0.301784 0.225511 0.144739 O\n0.155679 0.349709 0.457491 O\n0.755721 0.650275 0.533023 O\n",
"nsites": 70,
"nelements": 4,
"elements": [
"Li",
"B",
"H",
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],
"chemical_system": "B-H-Li-O",
"density": 1.9953235261960414,
"density_atomic": 0.10326145172105096,
"volume": 677.8909150831718,
"volume_molar": 5.831935015080096,
"formula_full": "Li8 B16 H10 O36",
"formula_reduced": "Li4B8H5O18",
"formula_anonymous": "A4B5C8D18",
"energy": -498.67925441000006,
"energy_per_atom": -7.123989348714287,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -473.94725441,
"band_gap": 0.9162,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.172000Z",
"spacegroup": 1
},
{
"id": "mp-1173809",
"created_at": "2022-09-04T14:41:50.688337Z",
"structure_string": "Na5 Mg4 Fe8 P12 O48\n1.0\n10.607266 -0.599132 7.346088\n4.359220 8.054135 1.553902\n-1.390484 -0.211691 9.181952\nNa Mg Fe P O\n5 4 8 12 48\ndirect\n0.998468 0.500476 0.501327 Na\n0.248268 0.501017 0.502078 Na\n0.375000 0.006441 0.993559 Na\n0.501732 0.497922 0.498983 Na\n0.751532 0.498673 0.499524 Na\n0.123405 0.261608 0.738244 Mg\n0.375000 0.733876 0.266124 Mg\n0.626595 0.261756 0.738392 Mg\n0.875000 0.738116 0.261884 Mg\n0.094992 0.061320 0.367419 Fe\n0.346211 0.375019 0.062583 Fe\n0.151814 0.633954 0.939362 Fe\n0.598186 0.060638 0.366046 Fe\n0.403789 0.937417 0.624981 Fe\n0.846644 0.366199 0.060874 Fe\n0.655008 0.632581 0.938680 Fe\n0.903356 0.939126 0.633801 Fe\n0.073681 0.350479 0.127344 P\n0.124462 0.711823 0.289946 P\n0.322724 0.128098 0.347584 P\n0.178527 0.868881 0.649797 P\n0.375000 0.287888 0.712112 P\n0.571473 0.350203 0.131119 P\n0.427276 0.652416 0.871902 P\n0.625538 0.710054 0.288177 P\n0.819937 0.131015 0.352348 P\n0.676319 0.872656 0.649521 P\n0.875000 0.289939 0.710061 P\n0.930063 0.647652 0.868985 P\n0.031127 0.330971 0.998535 O\n0.133593 0.183972 0.177349 O\n0.184598 0.405506 0.041706 O\n0.056692 0.738385 0.179536 O\n0.288144 0.994826 0.319643 O\n0.209527 0.267070 0.482633 O\n0.024151 0.738632 0.468854 O\n0.371987 0.187581 0.180822 O\n0.225362 0.531093 0.261929 O\n0.044353 0.512313 0.729662 O\n0.194050 0.819005 0.260299 O\n0.434740 0.045214 0.399792 O\n0.065326 0.952916 0.602678 O\n0.307988 0.175207 0.742305 O\n0.529808 0.332782 0.999756 O\n0.457934 0.484654 0.270559 O\n0.274358 0.466760 0.740131 O\n0.131235 0.809779 0.815066 O\n0.618765 0.184934 0.190221 O\n0.475642 0.259869 0.533240 O\n0.292066 0.729441 0.515346 O\n0.220192 0.000244 0.667218 O\n0.442012 0.257695 0.824793 O\n0.684674 0.397322 0.047084 O\n0.315260 0.600208 0.954786 O\n0.555950 0.739701 0.180995 O\n0.778970 0.000586 0.330064 O\n0.705647 0.270338 0.487687 O\n0.524638 0.738071 0.468907 O\n0.378013 0.819178 0.812419 O\n0.871074 0.191008 0.188969 O\n0.725849 0.531146 0.261368 O\n0.540473 0.517367 0.732930 O\n0.461856 0.680357 0.005174 O\n0.693308 0.820464 0.261615 O\n0.930814 0.043510 0.403613 O\n0.565402 0.958294 0.594494 O\n0.807251 0.178879 0.738573 O\n0.960522 0.483125 0.269203 O\n0.773762 0.468316 0.738552 O\n0.616407 0.822651 0.816028 O\n0.976238 0.261448 0.531684 O\n0.789478 0.730797 0.516875 O\n0.718873 0.001465 0.669029 O\n0.942749 0.261427 0.821121 O\n0.819186 0.596387 0.956490 O\n0.878926 0.811031 0.808992 O\n0.971030 0.669936 0.999414 O\n",
"nsites": 77,
"nelements": 5,
"elements": [
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"Mg",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mg-Na-O-P",
"density": 3.3606954503413142,
"density_atomic": 0.08664425516076779,
"volume": 888.6913489778065,
"volume_molar": 6.950421293167055,
"formula_full": "Na5 Mg4 Fe8 P12 O48",
"formula_reduced": "Na5Mg4Fe8(PO4)12",
"formula_anonymous": "A4B5C8D12E48",
"energy": -579.58887889,
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"band_gap": 0.0310000000000001,
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"updated_at": "2021-11-28T01:35:25.273000Z",
"spacegroup": 5
},
{
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"id": "mp-850464",
"created_at": "2022-09-04T14:42:21.265349Z",
"structure_string": "Li20 Cr16 O32\n1.0\n8.381946 0.000000 0.000000\n0.000000 8.547122 0.000000\n0.000000 0.000000 8.881310\nLi Cr O\n20 16 32\ndirect\n0.438445 0.056271 0.455399 Li\n0.866851 0.124555 0.901037 Li\n0.113222 0.144265 0.125158 Li\n0.624761 0.112551 0.646352 Li\n0.313392 0.197975 0.294366 Li\n0.813392 0.302025 0.705634 Li\n0.124761 0.387449 0.353648 Li\n0.613222 0.355735 0.874842 Li\n0.366851 0.375445 0.098963 Li\n0.938445 0.443729 0.544601 Li\n0.561555 0.556271 0.044601 Li\n0.133149 0.624555 0.598963 Li\n0.886778 0.644265 0.374842 Li\n0.375239 0.612551 0.853648 Li\n0.686608 0.697975 0.205634 Li\n0.186608 0.802025 0.794366 Li\n0.875239 0.887449 0.146352 Li\n0.386778 0.855735 0.625158 Li\n0.633149 0.875445 0.401037 Li\n0.061555 0.943729 0.955399 Li\n0.875279 0.123542 0.369451 Cr\n0.124364 0.127158 0.623602 Cr\n0.624364 0.372842 0.376398 Cr\n0.375279 0.376458 0.630549 Cr\n0.124721 0.623542 0.130549 Cr\n0.875636 0.627158 0.876398 Cr\n0.375636 0.872842 0.123602 Cr\n0.624721 0.876458 0.869451 Cr\n0.623452 0.124013 0.120155 Cr\n0.371577 0.123907 0.873972 Cr\n0.871577 0.376093 0.126028 Cr\n0.123452 0.375987 0.879845 Cr\n0.376548 0.624013 0.379845 Cr\n0.628423 0.623907 0.626028 Cr\n0.128423 0.876093 0.373972 Cr\n0.876548 0.875987 0.620155 Cr\n0.874606 0.115661 0.602584 O\n0.117028 0.112288 0.357108 O\n0.619998 0.116013 0.882124 O\n0.382951 0.122902 0.104730 O\n0.867174 0.130619 0.133343 O\n0.374358 0.139858 0.643210 O\n0.629269 0.123873 0.353975 O\n0.131319 0.140202 0.891249 O\n0.631319 0.359798 0.108751 O\n0.129269 0.376127 0.646025 O\n0.874358 0.360142 0.356790 O\n0.367174 0.369381 0.866657 O\n0.882951 0.377098 0.895270 O\n0.119998 0.383987 0.117876 O\n0.617028 0.387712 0.642892 O\n0.374606 0.384339 0.397416 O\n0.125394 0.615661 0.897416 O\n0.882972 0.612288 0.142892 O\n0.380002 0.616013 0.617876 O\n0.617049 0.622902 0.395270 O\n0.132826 0.630619 0.366657 O\n0.625642 0.639858 0.856790 O\n0.370731 0.623873 0.146025 O\n0.868681 0.640202 0.608751 O\n0.368681 0.859798 0.391249 O\n0.870731 0.876127 0.853975 O\n0.125642 0.860142 0.143210 O\n0.632826 0.869381 0.633343 O\n0.117049 0.877098 0.604730 O\n0.880002 0.883987 0.382124 O\n0.382972 0.887712 0.857108 O\n0.625394 0.884339 0.102584 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.8696513870040903,
"density_atomic": 0.1068727837617906,
"volume": 636.2705041123062,
"volume_molar": 5.6348684370595095,
"formula_full": "Li20 Cr16 O32",
"formula_reduced": "Li5Cr4O8",
"formula_anonymous": "A4B5C8",
"energy": -502.40307674,
"energy_per_atom": -7.388280540294118,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -448.43507674,
"band_gap": 1.0896,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 52.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.004000Z",
"spacegroup": 19
}
]
}