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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=10250",
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"results": [
{
"id": "mp-3051",
"created_at": "2022-09-04T14:48:07.230227Z",
"structure_string": "Mg8 Ge4 O16\n1.0\n4.969759 0.000000 0.000000\n0.000000 6.102763 0.000000\n0.000000 0.000000 10.442349\nMg Ge O\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.493437 0.750000 0.776094 Mg\n0.993437 0.250000 0.723906 Mg\n0.506563 0.250000 0.223906 Mg\n0.006563 0.750000 0.276094 Mg\n0.563842 0.750000 0.094324 Ge\n0.063842 0.250000 0.405676 Ge\n0.436158 0.250000 0.905676 Ge\n0.936158 0.750000 0.594324 Ge\n0.233166 0.478642 0.335621 O\n0.733166 0.521358 0.164379 O\n0.766834 0.978642 0.664379 O\n0.266834 0.021358 0.835621 O\n0.766834 0.521358 0.664379 O\n0.266834 0.478642 0.835621 O\n0.233166 0.021358 0.335621 O\n0.733166 0.978642 0.164379 O\n0.729847 0.750000 0.940124 O\n0.229847 0.250000 0.559876 O\n0.270153 0.250000 0.059876 O\n0.770153 0.750000 0.440124 O\n0.211076 0.750000 0.092096 O\n0.711076 0.250000 0.407904 O\n0.788924 0.250000 0.907904 O\n0.288924 0.750000 0.592096 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-O",
"density": 3.885094989077907,
"density_atomic": 0.08840930856215264,
"volume": 316.70873186747883,
"volume_molar": 6.81165915438234,
"formula_full": "Mg8 Ge4 O16",
"formula_reduced": "Mg2GeO4",
"formula_anonymous": "AB2C4",
"energy": -186.88245368,
"energy_per_atom": -6.674373345714286,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -175.89045368,
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"updated_at": "2021-11-28T01:38:26.827000Z",
"spacegroup": 62
},
{
"id": "mp-1404033",
"created_at": "2022-09-04T14:45:34.900239Z",
"structure_string": "Ti4 Zn2 O8\n1.0\n1.475609 7.243165 0.000000\n-1.475609 7.243165 0.000000\n0.000000 6.395144 7.407960\nTi Zn O\n4 2 8\ndirect\n0.358783 0.358784 0.967430 Ti\n0.843754 0.843754 0.317460 Ti\n0.156246 0.156246 0.682540 Ti\n0.641217 0.641217 0.032570 Ti\n0.607343 0.607343 0.386391 Zn\n0.392657 0.392657 0.613609 Zn\n0.148453 0.148453 0.893836 O\n0.535942 0.535942 0.779009 O\n0.464058 0.464058 0.220991 O\n0.851547 0.851547 0.106164 O\n0.829604 0.829604 0.856425 O\n0.210096 0.210096 0.435237 O\n0.170396 0.170396 0.143575 O\n0.789904 0.789904 0.564763 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"O"
],
"chemical_system": "O-Ti-Zn",
"density": 4.721767667117767,
"density_atomic": 0.08840966345500821,
"volume": 158.35373026982077,
"volume_molar": 6.81163181111381,
"formula_full": "Ti4 Zn2 O8",
"formula_reduced": "Ti2ZnO4",
"formula_anonymous": "AB2C4",
"energy": -113.53107317,
"energy_per_atom": -8.109362369285714,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -108.03507317,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.650000Z",
"spacegroup": 12
},
{
"id": "mp-859108",
"created_at": "2022-09-04T14:45:56.396163Z",
"structure_string": "Li4 Mn4 Si4 O14\n1.0\n-2.550627 4.312152 -0.000069\n0.000259 -0.000066 13.368718\n2.550716 4.312204 0.000030\nLi Mn Si O\n4 4 4 14\ndirect\n0.245944 0.581965 0.346251 Li\n0.245951 0.918055 0.346102 Li\n0.653840 0.418049 0.754066 Li\n0.653851 0.081978 0.753937 Li\n0.972036 0.999994 0.027854 Mn\n0.972240 0.500006 0.027796 Mn\n0.998113 0.249931 0.036962 Mn\n0.963022 0.749984 0.001984 Mn\n0.309310 0.363187 0.404506 Si\n0.309324 0.136816 0.404420 Si\n0.595506 0.636814 0.690792 Si\n0.595506 0.863186 0.690684 Si\n0.164136 0.249998 0.382233 O\n0.617760 0.750015 0.835902 O\n0.663031 0.133588 0.130518 O\n0.663022 0.366418 0.130617 O\n0.869391 0.866428 0.336970 O\n0.869375 0.633572 0.337089 O\n0.259716 0.870788 0.708510 O\n0.259699 0.629206 0.708650 O\n0.291469 0.370793 0.740298 O\n0.291461 0.129204 0.740215 O\n0.077516 0.056689 0.383351 O\n0.077516 0.443316 0.383486 O\n0.616530 0.556690 0.922581 O\n0.616526 0.943332 0.922437 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.296698658706925,
"density_atomic": 0.08841020162674816,
"volume": 294.0837089114137,
"volume_molar": 6.811590347259228,
"formula_full": "Li4 Mn4 Si4 O14",
"formula_reduced": "Li2Mn2Si2O7",
"formula_anonymous": "A2B2C2D7",
"energy": -205.47801066,
"energy_per_atom": -7.90300041,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.18801066,
"band_gap": 3.0250000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0009482,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.394000Z",
"spacegroup": 40
},
{
"id": "mp-777822",
"created_at": "2022-09-04T14:41:09.444587Z",
"structure_string": "Li4 Mn8 B8 O24\n1.0\n5.388641 0.000000 0.000000\n0.024376 9.021246 0.000000\n0.440900 0.149847 10.237621\nLi Mn B O\n4 8 8 24\ndirect\n0.133902 0.992974 0.923636 Li\n0.601226 0.514014 0.323583 Li\n0.655476 0.492952 0.828500 Li\n0.859191 0.019018 0.590204 Li\n0.131328 0.300844 0.367992 Mn\n0.171614 0.649757 0.868024 Mn\n0.360148 0.809608 0.124058 Mn\n0.337785 0.156035 0.623199 Mn\n0.667091 0.862061 0.368232 Mn\n0.646500 0.171871 0.876425 Mn\n0.843417 0.349797 0.116115 Mn\n0.860122 0.681121 0.618364 Mn\n0.161943 0.656660 0.369130 B\n0.173555 0.318821 0.871694 B\n0.330357 0.159693 0.117237 B\n0.330219 0.822897 0.619897 B\n0.668515 0.189397 0.378921 B\n0.675570 0.829884 0.868162 B\n0.831301 0.693988 0.125800 B\n0.835182 0.326676 0.628819 B\n0.068511 0.703280 0.068095 O\n0.050828 0.289822 0.557724 O\n0.197825 0.274828 0.180088 O\n0.234682 0.024642 0.101581 O\n0.189757 0.947955 0.618678 O\n0.223183 0.687509 0.657629 O\n0.254835 0.519026 0.365424 O\n0.297723 0.777909 0.313925 O\n0.274269 0.179632 0.837815 O\n0.318722 0.440452 0.873053 O\n0.419861 0.188273 0.416523 O\n0.436509 0.809298 0.924519 O\n0.566037 0.199946 0.061553 O\n0.585499 0.828679 0.582372 O\n0.713126 0.562281 0.142753 O\n0.711067 0.826345 0.162768 O\n0.707069 0.198825 0.683746 O\n0.773793 0.321571 0.328458 O\n0.750469 0.464222 0.648011 O\n0.810427 0.067976 0.401004 O\n0.789744 0.701136 0.812832 O\n0.794854 0.961635 0.866298 O\n0.922704 0.689521 0.427181 O\n0.917918 0.326780 0.907071 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1288707409752323,
"density_atomic": 0.08841131533182499,
"volume": 497.67385356568195,
"volume_molar": 6.811504542600375,
"formula_full": "Li4 Mn8 B8 O24",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -359.87482271,
"energy_per_atom": -8.178973243409091,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -330.04282271,
"band_gap": 0.2506000000000001,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.568000Z",
"spacegroup": 1
},
{
"id": "mp-1408617",
"created_at": "2022-09-04T14:41:48.969230Z",
"structure_string": "V2 Ni1 O6\n1.0\n4.948966 0.000000 0.000000\n-2.469341 4.494626 0.000000\n-0.231333 -2.620646 4.576411\nV Ni O\n2 1 6\ndirect\n0.005798 0.981580 0.966410 V\n0.040734 0.496671 0.458968 V\n0.603360 0.302424 0.097108 Ni\n0.476626 0.859623 0.280126 O\n0.853758 0.605204 0.272771 O\n0.126254 0.256372 0.295975 O\n0.875323 0.755996 0.778636 O\n0.047909 0.339459 0.800776 O\n0.469437 0.151870 0.800833 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"Ni",
"O"
],
"chemical_system": "Ni-O-V",
"density": 4.185300646044114,
"density_atomic": 0.08841164246520304,
"volume": 101.79654793249894,
"volume_molar": 6.811479339239951,
"formula_full": "V2 Ni1 O6",
"formula_reduced": "V2NiO6",
"formula_anonymous": "AB2C6",
"energy": -11.52656674,
"energy_per_atom": -1.2807296377777777,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1.46356674,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.298000Z",
"spacegroup": 1
},
{
"id": "mp-1220744",
"created_at": "2022-09-04T14:43:10.599316Z",
"structure_string": "Na2 Y2 Ti4 O12\n1.0\n5.335327 0.000000 0.000000\n0.000000 5.546978 0.000000\n0.000000 0.000000 7.643676\nNa Y Ti O\n2 2 4 12\ndirect\n0.494561 0.715477 0.500000 Na\n0.994561 0.284523 0.000000 Na\n0.016596 0.180495 0.500000 Y\n0.516596 0.819505 0.000000 Y\n0.512218 0.264597 0.752672 Ti\n0.012218 0.735403 0.252672 Ti\n0.512218 0.264597 0.247328 Ti\n0.012218 0.735403 0.747328 Ti\n0.923025 0.772097 0.500000 O\n0.598872 0.275642 0.500000 O\n0.098872 0.724358 0.000000 O\n0.423025 0.227903 0.000000 O\n0.192234 0.445882 0.698684 O\n0.279021 0.963480 0.290002 O\n0.779021 0.036520 0.209998 O\n0.692234 0.554118 0.801316 O\n0.779021 0.036520 0.790002 O\n0.692234 0.554118 0.198684 O\n0.192234 0.445882 0.301316 O\n0.279021 0.963480 0.709998 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Y",
"Ti",
"O"
],
"chemical_system": "Na-O-Ti-Y",
"density": 4.457571553487921,
"density_atomic": 0.08841180151756882,
"volume": 226.21414400232175,
"volume_molar": 6.811467085424457,
"formula_full": "Na2 Y2 Ti4 O12",
"formula_reduced": "NaYTi2O6",
"formula_anonymous": "ABC2D6",
"energy": -175.12571154,
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"updated_at": "2021-11-28T01:36:03.801000Z",
"spacegroup": 31
},
{
"id": "mp-753015",
"created_at": "2022-09-04T14:41:28.793405Z",
"structure_string": "Fe8 O10 F6\n1.0\n6.132502 0.000000 0.000000\n0.000000 4.709360 0.000000\n0.000000 0.409245 9.399358\nFe O F\n8 10 6\ndirect\n0.249883 0.000422 0.000940 Fe\n0.750038 0.013982 0.991616 Fe\n0.249962 0.013982 0.491616 Fe\n0.750117 0.000422 0.500940 Fe\n0.504708 0.525121 0.771801 Fe\n0.991721 0.456004 0.737563 Fe\n0.495292 0.525121 0.271801 Fe\n0.008279 0.456004 0.237563 Fe\n0.997648 0.175993 0.589440 O\n0.002352 0.175993 0.089440 O\n0.248097 0.304693 0.847613 O\n0.748202 0.307749 0.846904 O\n0.251798 0.307749 0.346904 O\n0.751903 0.304693 0.347613 O\n0.748317 0.697539 0.652312 O\n0.251683 0.697539 0.152312 O\n0.494768 0.821749 0.911544 O\n0.505232 0.821749 0.411544 O\n0.493444 0.204515 0.602465 F\n0.506556 0.204515 0.102466 F\n0.248525 0.696541 0.650158 F\n0.751475 0.696541 0.150158 F\n0.001509 0.795690 0.397641 F\n0.998491 0.795690 0.897641 F\n",
"nsites": 24,
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"elements": [
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"O",
"F"
],
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"density": 4.408923925965206,
"density_atomic": 0.08841245729000234,
"volume": 271.45495935349277,
"volume_molar": 6.811416563445051,
"formula_full": "Fe8 O10 F6",
"formula_reduced": "Fe4O5F3",
"formula_anonymous": "A3B4C5",
"energy": -158.45803725,
"energy_per_atom": -6.60241821875,
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"band_gap": 0.0933999999999999,
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"updated_at": "2021-11-28T01:35:22.959000Z",
"spacegroup": 7
},
{
"id": "mp-1233921",
"created_at": "2022-09-04T14:44:02.164159Z",
"structure_string": "Mg1 V12 Zn6 O24\n1.0\n6.038970 0.014991 -0.018754\n3.032700 5.240032 0.044432\n9.024745 5.412560 15.418974\nMg V Zn O\n1 12 6 24\ndirect\n0.001543 0.014711 0.829658 Mg\n0.996830 0.495192 0.173277 V\n0.488024 0.494465 0.173134 V\n0.000617 0.501352 0.495426 V\n0.487105 0.007250 0.171995 V\n0.500718 0.498017 0.334442 V\n0.509885 0.501134 0.495718 V\n0.997195 0.505820 0.833413 V\n0.512298 0.991967 0.495422 V\n0.501650 0.013385 0.828239 V\n0.504724 0.487703 0.666808 V\n0.500109 0.504991 0.833071 V\n0.855651 0.825127 0.987685 V\n0.117102 0.126367 0.044876 Zn\n0.126342 0.122559 0.375824 Zn\n0.491037 0.501599 0.002075 Zn\n0.151510 0.146161 0.677809 Zn\n0.875839 0.874752 0.291565 Zn\n0.880509 0.862332 0.625192 Zn\n0.243293 0.263589 0.092283 O\n0.257099 0.253662 0.244729 O\n0.247512 0.722159 0.092350 O\n0.712021 0.265987 0.091581 O\n0.276119 0.732808 0.251441 O\n0.269414 0.256440 0.417781 O\n0.737932 0.277459 0.250112 O\n0.712452 0.735571 0.112051 O\n0.255585 0.717429 0.420590 O\n0.280069 0.262140 0.558986 O\n0.734134 0.734145 0.252122 O\n0.723784 0.264238 0.419631 O\n0.289200 0.723943 0.577475 O\n0.235856 0.265275 0.752112 O\n0.755127 0.273846 0.577118 O\n0.741161 0.742641 0.424917 O\n0.257739 0.278001 0.903963 O\n0.248319 0.746635 0.753235 O\n0.737960 0.735567 0.578608 O\n0.744905 0.261388 0.751662 O\n0.264491 0.761179 0.905423 O\n0.742053 0.735235 0.759362 O\n0.758776 0.255276 0.908629 O\n0.765886 0.760505 0.903920 O\n",
"nsites": 43,
"nelements": 4,
"elements": [
"Mg",
"V",
"Zn",
"O"
],
"chemical_system": "Mg-O-V-Zn",
"density": 4.821062369102249,
"density_atomic": 0.08841262983204329,
"volume": 486.3558530233376,
"volume_molar": 6.811403270596304,
"formula_full": "Mg1 V12 Zn6 O24",
"formula_reduced": "MgV12Zn6O24",
"formula_anonymous": "AB6C12D24",
"energy": -333.57046248999995,
"energy_per_atom": -7.7574526160465105,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:21.049000Z",
"spacegroup": 1
},
{
"id": "mp-761910",
"created_at": "2022-09-04T14:42:54.336053Z",
"structure_string": "Li6 Cu4 F16\n1.0\n5.175288 0.000000 0.000000\n0.000000 5.913053 0.000000\n0.000000 0.775864 9.609730\nLi Cu F\n6 4 16\ndirect\n0.503421 0.844911 0.747303 Li\n0.996579 0.844911 0.247303 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.003421 0.155089 0.752697 Li\n0.496579 0.155089 0.252697 Li\n0.006189 0.637787 0.631049 Cu\n0.493811 0.637787 0.131049 Cu\n0.506189 0.362213 0.868951 Cu\n0.993811 0.362213 0.368951 Cu\n0.845871 0.902534 0.686812 F\n0.654129 0.902534 0.186812 F\n0.324381 0.778217 0.580273 F\n0.175619 0.778217 0.080273 F\n0.648708 0.646385 0.931510 F\n0.851292 0.646385 0.431510 F\n0.191101 0.540869 0.817403 F\n0.308899 0.540869 0.317403 F\n0.691101 0.459131 0.682597 F\n0.808899 0.459131 0.182597 F\n0.148708 0.353615 0.568490 F\n0.351292 0.353615 0.068490 F\n0.824381 0.221783 0.919727 F\n0.675619 0.221783 0.419727 F\n0.345871 0.097466 0.813188 F\n0.154129 0.097466 0.313188 F\n",
"nsites": 26,
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"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.3868916361233223,
"density_atomic": 0.08841294718369326,
"volume": 294.07457649817377,
"volume_molar": 6.8113788215745785,
"formula_full": "Li6 Cu4 F16",
"formula_reduced": "Li3Cu2F8",
"formula_anonymous": "A2B3C8",
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{
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N\n0.991630 0.853953 0.585485 N\n0.095057 0.557277 0.922107 N\n0.595057 0.942723 0.077893 N\n0.404943 0.442723 0.422107 N\n0.904943 0.057277 0.577893 N\n0.836336 0.197274 0.743825 N\n0.336336 0.302726 0.256175 N\n0.663664 0.802726 0.243825 N\n0.163664 0.697274 0.756175 N\n0.058485 0.289149 0.716563 N\n0.558485 0.210851 0.283437 N\n0.441515 0.710851 0.216563 N\n0.941515 0.789149 0.783437 N\n0.791815 0.128515 0.954710 N\n0.291815 0.371485 0.045290 N\n0.708185 0.871485 0.454710 N\n0.208185 0.628515 0.545290 N\n0.685863 0.018708 0.864772 N\n0.185863 0.481292 0.135228 N\n0.814137 0.981292 0.364772 N\n0.314137 0.518708 0.635228 N\n0.365329 0.971761 0.849236 O\n0.865329 0.528239 0.150764 O\n0.134671 0.028239 0.349236 O\n0.634671 0.471761 0.650764 O\n0.184734 0.824671 0.897548 O\n0.684734 0.675329 0.102452 O\n0.315266 0.175329 0.397548 O\n0.815266 0.324671 0.602452 O\n0.419821 0.852736 0.956091 O\n0.919821 0.647264 0.043909 O\n0.080179 0.147264 0.456091 O\n0.580179 0.352736 0.543909 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{
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}