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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11532",
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"results": [
{
"id": "mp-1177198",
"created_at": "2022-09-04T14:46:20.221467Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.769569 0.000000 0.000000\n4.878280 8.508947 0.000000\n0.124100 0.078430 14.283003\nLi V P O\n8 6 16 58\ndirect\n0.683085 0.091308 0.443846 Li\n0.100938 0.668661 0.950038 Li\n0.232812 0.095854 0.942431 Li\n0.920781 0.778855 0.557699 Li\n0.085719 0.226034 0.436077 Li\n0.765639 0.907552 0.061182 Li\n0.311417 0.910835 0.552976 Li\n0.978819 0.060237 0.006545 Li\n0.004018 0.560394 0.750055 V\n0.992354 0.437465 0.247832 V\n0.565908 0.001776 0.249375 V\n0.433505 0.997645 0.752111 V\n0.564103 0.433639 0.752132 V\n0.437348 0.563634 0.247498 V\n0.695456 0.224465 0.156821 P\n0.682070 0.089568 0.665022 P\n0.230627 0.685502 0.657743 P\n0.329336 0.336250 0.869351 P\n0.331339 0.333258 0.366974 P\n0.088610 0.685614 0.164078 P\n0.909804 0.769392 0.343635 P\n0.222768 0.091247 0.158180 P\n0.776625 0.906267 0.843282 P\n0.090468 0.229716 0.653883 P\n0.913838 0.306048 0.834357 P\n0.667492 0.666079 0.634386 P\n0.667661 0.668416 0.129938 P\n0.770514 0.312078 0.340803 P\n0.318988 0.907077 0.335406 P\n0.306917 0.772362 0.841638 P\n0.765779 0.226923 0.425915 O\n0.657797 0.257050 0.669416 O\n0.794837 0.973413 0.932611 O\n0.657988 0.086905 0.164449 O\n0.540653 0.383994 0.167899 O\n0.478468 0.331805 0.823384 O\n0.383121 0.526517 0.676907 O\n0.209216 0.782064 0.924508 O\n0.258971 0.655585 0.166075 O\n0.483465 0.182491 0.330416 O\n0.521140 0.097521 0.683497 O\n0.340705 0.473701 0.317037 O\n0.314247 0.361130 0.972549 O\n0.329135 0.337840 0.471162 O\n0.184200 0.489358 0.823131 O\n0.379561 0.088199 0.167406 O\n0.322420 0.188688 0.837039 O\n0.084955 0.660113 0.660711 O\n0.003110 0.789829 0.254521 O\n0.992081 0.757055 0.432886 O\n0.002839 0.770838 0.076433 O\n0.089205 0.527853 0.176119 O\n0.179889 0.335685 0.327576 O\n0.921877 0.735774 0.833026 O\n0.101921 0.378466 0.680085 O\n0.254916 0.080335 0.661825 O\n0.794639 0.997933 0.752626 O\n0.756330 0.003782 0.575891 O\n0.242742 0.994657 0.423953 O\n0.744350 0.918372 0.339312 O\n0.899973 0.620129 0.320798 O\n0.082233 0.261044 0.173585 O\n0.819204 0.662836 0.677838 O\n0.918859 0.462167 0.826103 O\n0.005698 0.203540 0.914585 O\n0.014323 0.246248 0.562103 O\n0.987948 0.213880 0.737813 O\n0.914209 0.339912 0.339307 O\n0.676478 0.813624 0.165678 O\n0.621637 0.906049 0.830538 O\n0.814237 0.517849 0.177486 O\n0.676787 0.656332 0.026251 O\n0.677495 0.663896 0.530565 O\n0.661669 0.523063 0.681205 O\n0.478790 0.900627 0.317804 O\n0.516421 0.816095 0.671288 O\n0.740768 0.343243 0.833456 O\n0.796031 0.206670 0.249549 O\n0.793782 0.202733 0.072874 O\n0.618056 0.471333 0.322193 O\n0.520779 0.668349 0.176211 O\n0.463977 0.615253 0.829106 O\n0.339565 0.912745 0.838480 O\n0.197298 0.029027 0.068494 O\n0.206812 0.996508 0.247347 O\n0.343911 0.739395 0.331578 O\n0.235070 0.769706 0.572193 O\n0.207395 0.792829 0.748010 O\n",
"nsites": 88,
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"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.4960255091906385,
"density_atomic": 0.07411599129328504,
"volume": 1187.3281118480143,
"volume_molar": 8.125292065742915,
"formula_full": "Li8 V6 P16 O58",
"formula_reduced": "Li4V3P8O29",
"formula_anonymous": "A3B4C8D29",
"energy": -669.89634635,
"energy_per_atom": -7.612458481250001,
"energy_above_hull": null,
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"energy_uncorrected": -619.85034635,
"band_gap": 0.8648999999999999,
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"updated_at": "2021-11-28T01:37:28.303000Z",
"spacegroup": 1
},
{
"id": "mp-779023",
"created_at": "2022-09-04T14:46:20.247342Z",
"structure_string": "Li4 Mn8 B8 O24\n1.0\n5.236630 0.000000 0.000000\n0.236934 9.082665 0.000000\n0.119975 0.263286 10.340637\nLi Mn B O\n4 8 8 24\ndirect\n0.055172 0.066731 0.318305 Li\n0.111129 0.074060 0.850767 Li\n0.413430 0.420937 0.061681 Li\n0.409083 0.437047 0.599067 Li\n0.091996 0.723704 0.378947 Mn\n0.031951 0.417849 0.868377 Mn\n0.451904 0.076350 0.118717 Mn\n0.412173 0.776766 0.620496 Mn\n0.564927 0.268128 0.365162 Mn\n0.618105 0.889999 0.875746 Mn\n0.892531 0.604819 0.122037 Mn\n0.927592 0.233232 0.611770 Mn\n0.071696 0.419427 0.379392 B\n0.118539 0.751399 0.865674 B\n0.390497 0.742713 0.132529 B\n0.438127 0.082783 0.633395 B\n0.578301 0.925575 0.371292 B\n0.577652 0.240312 0.882703 B\n0.913735 0.258653 0.114156 B\n0.913471 0.576435 0.622391 B\n0.065059 0.140104 0.139998 O\n0.081477 0.680370 0.567340 O\n0.016038 0.389851 0.060750 O\n0.040688 0.449835 0.678709 O\n0.153636 0.758584 0.195244 O\n0.186862 0.079694 0.664833 O\n0.321991 0.437596 0.405904 O\n0.356502 0.739986 0.803553 O\n0.450047 0.048292 0.308760 O\n0.472930 0.104755 0.928236 O\n0.408670 0.828793 0.434367 O\n0.430351 0.363783 0.875771 O\n0.504255 0.609541 0.114631 O\n0.547360 0.207619 0.577809 O\n0.505108 0.868248 0.081428 O\n0.592437 0.956260 0.660879 O\n0.647567 0.263533 0.143303 O\n0.659887 0.590663 0.617189 O\n0.831951 0.908618 0.371615 O\n0.838633 0.234365 0.847701 O\n0.924264 0.540966 0.333621 O\n0.006010 0.624100 0.913910 O\n0.954131 0.284514 0.402760 O\n0.001461 0.882339 0.887176 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1660660317476466,
"density_atomic": 0.08946232857384656,
"volume": 491.82712658412703,
"volume_molar": 6.73148224062716,
"formula_full": "Li4 Mn8 B8 O24",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -359.76590915,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.863000Z",
"spacegroup": 1
},
{
"id": "mp-705884",
"created_at": "2022-09-04T14:46:20.337762Z",
"structure_string": "Li4 Fe4 P4 H4 O20\n1.0\n5.179025 0.000000 0.000000\n-2.463946 6.972473 0.000000\n-1.247017 -3.221374 10.075508\nLi Fe P H O\n4 4 4 4 20\ndirect\n0.451834 0.395852 0.199404 Li\n0.954935 0.920810 0.697453 Li\n0.048278 0.108136 0.300058 Li\n0.550501 0.606308 0.800369 Li\n0.498744 0.002454 0.498850 Fe\n0.501919 0.502900 0.500678 Fe\n0.999744 0.001938 0.999202 Fe\n0.000943 0.502291 0.000154 Fe\n0.505093 0.950654 0.180160 P\n0.005641 0.448675 0.680835 P\n0.995511 0.553779 0.319122 P\n0.494595 0.055204 0.819119 P\n0.822389 0.812039 0.465978 H\n0.676385 0.691895 0.032459 H\n0.326816 0.313231 0.968571 H\n0.174644 0.192256 0.530911 H\n0.284105 0.048298 0.168769 O\n0.781255 0.542691 0.668816 O\n0.184831 0.303545 0.024467 O\n0.376803 0.722164 0.104841 O\n0.636668 0.993469 0.328045 O\n0.683632 0.803781 0.523530 O\n0.879960 0.219228 0.605652 O\n0.137486 0.491699 0.828529 O\n0.758061 0.053278 0.123361 O\n0.742364 0.451161 0.376014 O\n0.257849 0.552270 0.623980 O\n0.241103 0.951911 0.874944 O\n0.863982 0.511464 0.171366 O\n0.123410 0.782750 0.394669 O\n0.315140 0.200799 0.474640 O\n0.364510 0.014872 0.671313 O\n0.623396 0.283417 0.895607 O\n0.816488 0.701195 0.975646 O\n0.216939 0.456727 0.330727 O\n0.716096 0.957907 0.829812 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
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"O"
],
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"density": 3.190516601433902,
"density_atomic": 0.09894655998573712,
"volume": 363.83275987754706,
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"formula_full": "Li4 Fe4 P4 H4 O20",
"formula_reduced": "LiFePHO5",
"formula_anonymous": "ABCDE5",
"energy": -256.27017655,
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"updated_at": "2021-11-28T01:37:26.254000Z",
"spacegroup": 1
},
{
"id": "mp-1223658",
"created_at": "2022-09-04T14:46:20.371398Z",
"structure_string": "K1 Al3 Fe2 Si2 H2 O12\n1.0\n-2.654370 4.666967 0.466376\n-0.000295 0.051354 -10.528229\n-5.320052 -0.011263 0.978483\nK Al Fe Si H O\n1 3 2 2 2 12\ndirect\n0.989034 0.000108 0.004691 K\n0.343267 0.500487 0.826549 Al\n0.325557 0.230909 0.418571 Al\n0.657721 0.768453 0.594969 Al\n0.662285 0.499162 0.173476 Fe\n0.003018 0.500536 0.500008 Fe\n0.652637 0.229206 0.748499 Si\n0.329759 0.770321 0.248352 Si\n0.048686 0.310116 0.055409 H\n0.025994 0.691343 0.907940 H\n0.040187 0.403956 0.097096 O\n0.025880 0.597493 0.876210 O\n0.421611 0.171152 0.644394 O\n0.573161 0.181354 0.050864 O\n0.562816 0.815359 0.356342 O\n0.411899 0.830478 0.957792 O\n0.329648 0.403051 0.498194 O\n0.633033 0.391945 0.803638 O\n0.642617 0.596511 0.567597 O\n0.336190 0.607909 0.165813 O\n0.976487 0.181911 0.497667 O\n0.008511 0.818241 0.505930 O\n",
"nsites": 22,
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"elements": [
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"Si",
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],
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"density": 3.0577113099553506,
"density_atomic": 0.08406240005646452,
"volume": 261.71034832722654,
"volume_molar": 7.163893436250858,
"formula_full": "K1 Al3 Fe2 Si2 H2 O12",
"formula_reduced": "KAl3Fe2Si2(HO6)2",
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"energy": -166.34059504,
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"updated_at": "2021-11-28T01:37:27.957000Z",
"spacegroup": 1
},
{
"id": "mp-705588",
"created_at": "2022-09-04T14:46:20.336782Z",
"structure_string": "Fe16 O18\n1.0\n6.191227 0.000000 0.000000\n-1.622244 6.640194 0.000000\n-0.047036 -2.150034 9.009356\nFe O\n16 18\ndirect\n0.503480 0.993528 0.997925 Fe\n0.833452 0.327800 0.890326 Fe\n0.166154 0.669333 0.777605 Fe\n0.493885 0.007683 0.663645 Fe\n0.328278 0.328700 0.887979 Fe\n0.658561 0.656027 0.447060 Fe\n0.661843 0.662406 0.774658 Fe\n0.840354 0.337525 0.557383 Fe\n0.000378 0.000084 0.671289 Fe\n0.171871 0.657294 0.445498 Fe\n0.498110 0.004290 0.339405 Fe\n0.838418 0.329911 0.218162 Fe\n0.007418 0.003932 0.335418 Fe\n0.158878 0.680833 0.108268 Fe\n0.327458 0.331474 0.217899 Fe\n0.674573 0.676004 0.109407 Fe\n0.893393 0.640260 0.938468 O\n0.269444 0.001304 0.818860 O\n0.412905 0.657802 0.943179 O\n0.597440 0.320047 0.732576 O\n0.735030 0.011190 0.823740 O\n0.917220 0.666044 0.608686 O\n0.059434 0.334462 0.737446 O\n0.254718 0.978838 0.494078 O\n0.433053 0.695655 0.616752 O\n0.598855 0.325376 0.370825 O\n0.732380 0.001535 0.499738 O\n0.911566 0.656922 0.280825 O\n0.067172 0.335497 0.372066 O\n0.277757 0.999323 0.178840 O\n0.427657 0.680195 0.276927 O\n0.600961 0.328656 0.057152 O\n0.740018 0.011894 0.189038 O\n0.074552 0.354843 0.063319 O\n",
"nsites": 34,
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"elements": [
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],
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"density": 5.297060844147451,
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"volume": 370.3831694353669,
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"formula_full": "Fe16 O18",
"formula_reduced": "Fe8O9",
"formula_anonymous": "A8B9",
"energy": -275.5602855899999,
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"updated_at": "2021-11-28T01:37:24.249000Z",
"spacegroup": 1
},
{
"id": "mp-850939",
"created_at": "2022-09-04T14:46:20.473161Z",
"structure_string": "Li2 Mn1 V1 P4 O14\n1.0\n4.854780 -0.015621 0.004812\n0.101694 8.336835 -0.004639\n-2.261363 -0.186684 6.708292\nLi Mn V P O\n2 1 1 4 14\ndirect\n0.172642 0.859216 0.670747 Li\n0.824486 0.355997 0.329947 Li\n0.790956 0.998777 0.271768 Mn\n0.211359 0.499436 0.725272 V\n0.402755 0.175536 0.522722 P\n0.220091 0.785797 0.091007 P\n0.784191 0.288949 0.912340 P\n0.600458 0.680794 0.480663 P\n0.042901 0.326748 0.843315 O\n0.141891 0.698986 0.888719 O\n0.188516 0.033542 0.477751 O\n0.248474 0.337737 0.505038 O\n0.388843 0.674776 0.601839 O\n0.594698 0.438140 0.910424 O\n0.591881 0.153188 0.752391 O\n0.405170 0.657120 0.247983 O\n0.405869 0.935380 0.096090 O\n0.610461 0.171586 0.397102 O\n0.755983 0.841350 0.506464 O\n0.809035 0.536925 0.513393 O\n0.865157 0.207909 0.111706 O\n0.944180 0.827691 0.143319 O\n",
"nsites": 22,
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"elements": [
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"Mn",
"V",
"P",
"O"
],
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"volume": 271.60497076457125,
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"formula_full": "Li2 Mn1 V1 P4 O14",
"formula_reduced": "Li2MnV(P2O7)2",
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"energy": -171.61290649,
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"spacegroup": 1
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{
"id": "mp-781050",
"created_at": "2022-09-04T14:46:20.491341Z",
"structure_string": "Li4 Cr1 Sb1 Te2 O12\n1.0\n5.165491 0.000000 0.000000\n-0.003401 5.410813 0.000000\n-0.000890 -0.473276 7.466934\nLi Cr Sb Te O\n4 1 1 2 12\ndirect\n0.002173 0.577325 0.734417 Li\n0.496709 0.060540 0.196284 Li\n0.996339 0.585120 0.194620 Li\n0.504303 0.031471 0.748613 Li\n0.999539 0.008534 0.999105 Cr\n0.500819 0.500970 0.496505 Sb\n0.999965 0.003659 0.498671 Te\n0.500038 0.501213 0.998983 Te\n0.306108 0.809414 0.577850 O\n0.126988 0.986597 0.260089 O\n0.326713 0.187156 0.951447 O\n0.186205 0.308361 0.577268 O\n0.795018 0.312083 0.070183 O\n0.362866 0.487595 0.250146 O\n0.632901 0.482543 0.748403 O\n0.189496 0.677136 0.949983 O\n0.828404 0.678278 0.436538 O\n0.690175 0.797328 0.065001 O\n0.877391 0.975147 0.739251 O\n0.677852 0.171931 0.435443 O\n",
"nsites": 20,
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"elements": [
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"Sb",
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"O"
],
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"density_atomic": 0.09583266135564315,
"volume": 208.6971155457981,
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"formula_full": "Li4 Cr1 Sb1 Te2 O12",
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{
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"created_at": "2022-09-04T14:46:20.548756Z",
"structure_string": "Tl10 Ag10 As20 Pb10 S50\n1.0\n7.788178 0.049780 2.338167\n2.467524 7.034784 3.785000\n-0.456011 -0.474216 46.521704\nTl Ag As Pb S\n10 10 20 10 50\ndirect\n0.304271 0.143006 0.028044 Tl\n0.255216 0.456405 0.119770 Tl\n0.306020 0.145468 0.226291 Tl\n0.255439 0.455719 0.319813 Tl\n0.306062 0.145534 0.426201 Tl\n0.255482 0.455798 0.519776 Tl\n0.306150 0.145558 0.626172 Tl\n0.255881 0.455542 0.719825 Tl\n0.305831 0.146187 0.826418 Tl\n0.688804 0.846793 0.975770 Tl\n0.111944 0.752943 0.018692 Ag\n0.110262 0.763318 0.217775 Ag\n0.110204 0.763470 0.417708 Ag\n0.110314 0.763209 0.617729 Ag\n0.894729 0.242376 0.181331 Ag\n0.112740 0.760917 0.817963 Ag\n0.895132 0.242337 0.381228 Ag\n0.895328 0.241932 0.581234 Ag\n0.894066 0.242772 0.781412 Ag\n0.887745 0.239432 0.982312 Ag\n0.109300 0.035433 0.127811 As\n0.109367 0.036319 0.327637 As\n0.548137 0.393701 0.036936 As\n0.109527 0.036233 0.527642 As\n0.449570 0.618185 0.161337 As\n0.545772 0.401845 0.236303 As\n0.109755 0.036337 0.727857 As\n0.449218 0.618070 0.361464 As\n0.545876 0.401463 0.436311 As\n0.110275 0.040114 0.926639 As\n0.882155 0.964410 0.075152 As\n0.449211 0.617947 0.561456 As\n0.545956 0.401740 0.636211 As\n0.884153 0.960978 0.274723 As\n0.448791 0.618251 0.761464 As\n0.545592 0.393574 0.837457 As\n0.884126 0.960758 0.474679 As\n0.449766 0.615664 0.961568 As\n0.884357 0.961975 0.674508 As\n0.892301 0.957063 0.872086 As\n0.751098 0.524831 0.081837 Pb\n0.689630 0.816337 0.171968 Pb\n0.750473 0.528827 0.282285 Pb\n0.690078 0.815149 0.372451 Pb\n0.751082 0.528349 0.482286 Pb\n0.243857 0.461494 0.919890 Pb\n0.690215 0.815106 0.572401 Pb\n0.750718 0.528959 0.682103 Pb\n0.695857 0.817873 0.771442 Pb\n0.756288 0.536780 0.882757 Pb\n0.120751 0.295628 0.082694 S\n0.216852 0.058342 0.165826 S\n0.120661 0.295332 0.282430 S\n0.184899 0.563635 0.184438 S\n0.390317 0.667124 0.044785 S\n0.217467 0.058362 0.365785 S\n0.625611 0.190863 0.089981 S\n0.371519 0.826850 0.110063 S\n0.120772 0.295281 0.482426 S\n0.184431 0.563497 0.384481 S\n0.627554 0.350318 0.151249 S\n0.392110 0.670665 0.245293 S\n0.217730 0.058458 0.565739 S\n0.823261 0.430521 0.016520 S\n0.631637 0.197800 0.288244 S\n0.371765 0.826757 0.310187 S\n0.120297 0.294886 0.682526 S\n0.184290 0.563686 0.584468 S\n0.790615 0.917822 0.038134 S\n0.627371 0.350092 0.351304 S\n0.392818 0.670821 0.445171 S\n0.218319 0.058673 0.765942 S\n0.823417 0.445976 0.214361 S\n0.849026 0.706521 0.119945 S\n0.631646 0.197619 0.488275 S\n0.371854 0.826677 0.510175 S\n0.130752 0.303249 0.882428 S\n0.183555 0.563694 0.784373 S\n0.786752 0.918679 0.238310 S\n0.627432 0.349828 0.551354 S\n0.393025 0.670851 0.645132 S\n0.212505 0.078895 0.963131 S\n0.823695 0.445125 0.414452 S\n0.847360 0.707272 0.320127 S\n0.631583 0.197824 0.688216 S\n0.371247 0.827437 0.710189 S\n0.182479 0.564004 0.982596 S\n0.786634 0.918447 0.438298 S\n0.626619 0.351464 0.750963 S\n0.380114 0.653120 0.849942 S\n0.824074 0.444779 0.614442 S\n0.847349 0.707153 0.520099 S\n0.638079 0.187597 0.887988 S\n0.369430 0.822040 0.909525 S\n0.786754 0.918956 0.638234 S\n0.622292 0.350406 0.949719 S\n0.817804 0.450336 0.814301 S\n0.847995 0.707545 0.719906 S\n0.784545 0.928872 0.835183 S\n0.866814 0.697739 0.916528 S\n",
"nsites": 100,
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"elements": [
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],
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"density_atomic": 0.03903533484464289,
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"volume_molar": 15.427408997431629,
"formula_full": "Tl10 Ag10 As20 Pb10 S50",
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"updated_at": "2021-11-28T01:37:26.598000Z",
"spacegroup": 1
},
{
"id": "mp-1233257",
"created_at": "2022-09-04T14:46:20.689025Z",
"structure_string": "La4 Mg1 Ga2 Fe2 O12\n1.0\n-5.477139 0.822770 0.057041\n0.059202 -0.057068 -5.786099\n1.060263 -9.946154 -0.042328\nLa Mg Ga Fe O\n4 1 2 2 12\ndirect\n0.609632 0.512809 0.678354 La\n0.092474 0.982327 0.693980 La\n0.495073 0.509292 0.292634 La\n0.979935 0.022951 0.308485 La\n0.282937 0.457089 0.910826 Mg\n0.862509 0.570771 0.072649 Ga\n0.536839 0.998527 0.492218 Ga\n0.045934 0.500485 0.495466 Fe\n0.368643 0.965952 0.073616 Fe\n0.655314 0.907782 0.688315 O\n0.137648 0.574080 0.719688 O\n0.400923 0.095753 0.270593 O\n0.894455 0.404294 0.241882 O\n0.763910 0.274774 0.508223 O\n0.202049 0.127825 0.908514 O\n0.195306 0.623131 0.066056 O\n0.793605 0.785592 0.452218 O\n0.306564 0.715062 0.448598 O\n0.702642 0.814944 0.134027 O\n0.646323 0.467545 0.914037 O\n0.277286 0.200920 0.529622 O\n",
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"formula_full": "La4 Mg1 Ga2 Fe2 O12",
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"spacegroup": 1
},
{
"id": "mp-1215309",
"created_at": "2022-09-04T14:46:20.840077Z",
"structure_string": "Zr1 Ti1 Pb2 O6\n1.0\n4.193764 0.000000 0.000000\n0.070760 5.774935 0.000000\n0.111749 0.149714 5.851555\nZr Ti Pb O\n1 1 2 6\ndirect\n0.771853 0.642955 0.918596 Zr\n0.744885 0.137672 0.411186 Ti\n0.224109 0.622212 0.384934 Pb\n0.229429 0.135733 0.862027 Pb\n0.811096 0.391766 0.685374 O\n0.799596 0.905629 0.202953 O\n0.283267 0.658884 0.960237 O\n0.309710 0.156573 0.445505 O\n0.806187 0.404384 0.209497 O\n0.809868 0.921192 0.686689 O\n",
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},
{
"id": "mp-768699",
"created_at": "2022-09-04T14:46:20.741880Z",
"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n6.236869 0.000000 0.000000\n-0.141162 8.344746 0.000000\n-0.050889 -0.755605 10.197072\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.967242 0.258771 0.876095 Li\n0.528817 0.260009 0.375744 Li\n0.471630 0.742190 0.622592 Li\n0.471870 0.739635 0.122932 Li\n0.249972 0.329382 0.603269 Mn\n0.251786 0.329603 0.103368 Mn\n0.753067 0.670242 0.896902 Mn\n0.755733 0.670953 0.397333 Mn\n0.749857 0.426300 0.637993 P\n0.746073 0.425985 0.138330 P\n0.247606 0.574595 0.861885 P\n0.257259 0.574104 0.362335 P\n0.250310 0.049229 0.645125 C\n0.255276 0.049500 0.144874 C\n0.745974 0.949955 0.854710 C\n0.741690 0.950228 0.355121 C\n0.253062 0.104013 0.527485 O\n0.758658 0.091733 0.830143 O\n0.234956 0.104228 0.027937 O\n0.230822 0.171164 0.735768 O\n0.726834 0.091848 0.331126 O\n0.260289 0.171712 0.236330 O\n0.945872 0.327423 0.595311 O\n0.559064 0.312000 0.594457 O\n0.941736 0.324793 0.095549 O\n0.555335 0.313023 0.095709 O\n0.226265 0.414945 0.928319 O\n0.755162 0.465276 0.789397 O\n0.271759 0.414398 0.428740 O\n0.736044 0.465762 0.289576 O\n0.274393 0.534728 0.711554 O\n0.733867 0.585766 0.571519 O\n0.276005 0.535159 0.211273 O\n0.740156 0.585673 0.071649 O\n0.056786 0.685142 0.892858 O\n0.442346 0.677259 0.916079 O\n0.445209 0.689376 0.410644 O\n0.058816 0.671703 0.399536 O\n0.726845 0.827210 0.764102 O\n0.267154 0.907958 0.669450 O\n0.740475 0.827564 0.263998 O\n0.754696 0.895560 0.972342 O\n0.270759 0.907604 0.168067 O\n0.760101 0.896295 0.472477 O\n",
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"elements": [
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],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.7141379928968394,
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"volume_molar": 7.263625688644885,
"formula_full": "Li4 Mn4 P4 C4 O28",
"formula_reduced": "LiMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -337.37139571,
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{
"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",
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],
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"formula_full": "Li8 B16 H10 O36",
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}
]
}