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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=27",
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"results": [
{
"id": "mp-778220",
"created_at": "2022-09-04T14:39:16.487764Z",
"structure_string": "Li4 V3 Cr2 Fe3 O16\n1.0\n5.907699 0.000000 0.000000\n-2.948232 5.135679 0.000000\n-0.023595 -0.168522 9.588183\nLi V Cr Fe O\n4 3 2 3 16\ndirect\n0.666839 0.338969 0.106241 Li\n0.000328 0.996346 0.003462 Li\n0.998097 0.002261 0.503893 Li\n0.340458 0.678416 0.605503 Li\n0.657208 0.839380 0.285933 V\n0.830895 0.661462 0.787927 V\n0.159658 0.824604 0.289490 V\n0.667488 0.332231 0.515663 Cr\n0.330771 0.656165 0.015807 Cr\n0.834072 0.171679 0.785532 Fe\n0.339022 0.170041 0.785683 Fe\n0.172642 0.337590 0.286613 Fe\n0.834204 0.163063 0.398618 O\n0.523986 0.045346 0.658314 O\n0.680057 0.356808 0.897109 O\n0.990864 0.981343 0.689783 O\n0.994219 0.992310 0.189314 O\n0.325843 0.144000 0.397459 O\n0.962905 0.496973 0.661159 O\n0.533820 0.495295 0.661667 O\n0.160456 0.319578 0.901929 O\n0.827214 0.672978 0.393045 O\n0.479186 0.518346 0.159889 O\n0.041484 0.537614 0.162081 O\n0.337801 0.672328 0.398993 O\n0.668764 0.816000 0.894915 O\n0.492296 0.961689 0.161555 O\n0.149721 0.817187 0.894582 O\n",
"nsites": 28,
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"elements": [
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"V",
"Cr",
"Fe",
"O"
],
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"density": 4.0419867750954115,
"density_atomic": 0.09625105233617635,
"volume": 290.9059103292119,
"volume_molar": 6.2567012139944715,
"formula_full": "Li4 V3 Cr2 Fe3 O16",
"formula_reduced": "Li4V3Cr2Fe3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -220.22160087,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.661000Z",
"spacegroup": 1
},
{
"id": "mp-778265",
"created_at": "2022-09-04T14:39:16.602763Z",
"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n5.243389 0.000000 0.000000\n-2.602254 5.667478 0.000000\n-0.203770 -2.807134 8.603290\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.512446 0.327646 0.883434 Li\n0.013857 0.329175 0.381972 Li\n0.986045 0.671778 0.617477 Li\n0.485340 0.670359 0.118500 Li\n0.550068 0.765802 0.802717 Mn\n0.949681 0.234325 0.696901 Mn\n0.050901 0.769821 0.302728 Mn\n0.457195 0.234995 0.198492 Fe\n0.039238 0.739592 0.965555 B\n0.463044 0.263641 0.533480 B\n0.537536 0.736548 0.464268 B\n0.959806 0.259480 0.035663 B\n0.761513 0.702522 0.975126 O\n0.123585 0.676030 0.821513 O\n0.769275 0.174479 0.898227 O\n0.375605 0.322905 0.677123 O\n0.739146 0.297087 0.524648 O\n0.270739 0.177958 0.396078 O\n0.732153 0.825712 0.600910 O\n0.260844 0.702389 0.473809 O\n0.623526 0.674707 0.320871 O\n0.234498 0.829453 0.101832 O\n0.867039 0.318234 0.178222 O\n0.236923 0.295362 0.030457 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.141396291324015,
"density_atomic": 0.09387387767398751,
"volume": 255.66217775033286,
"volume_molar": 6.415140089252685,
"formula_full": "Li4 Mn3 Fe1 B4 O12",
"formula_reduced": "Li4Mn3Fe(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy": -188.76714041,
"energy_per_atom": -7.8652975170833335,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -173.26314041,
"band_gap": 2.97,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 18.9994573,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.012000Z",
"spacegroup": 1
},
{
"id": "mp-1247699",
"created_at": "2022-09-04T14:39:16.737102Z",
"structure_string": "Sr4 Ca12 Mn16 O40\n1.0\n-0.063589 -0.004493 5.592233\n11.113241 -0.024817 -0.128926\n-0.031343 15.450588 -0.018305\nSr Ca Mn O\n4 12 16 40\ndirect\n0.008675 0.002220 0.113358 Sr\n0.981487 0.514103 0.377056 Sr\n0.512085 0.239921 0.388447 Sr\n0.510822 0.231734 0.117499 Sr\n0.023808 0.994295 0.613544 Ca\n0.958095 0.543577 0.129286 Ca\n0.965731 0.545087 0.628981 Ca\n0.979002 0.518905 0.871649 Ca\n0.009843 0.960262 0.384570 Ca\n0.010117 0.958177 0.882734 Ca\n0.544958 0.232381 0.890723 Ca\n0.523335 0.766809 0.376841 Ca\n0.517446 0.759579 0.873839 Ca\n0.483685 0.224836 0.621209 Ca\n0.500435 0.778072 0.121425 Ca\n0.506913 0.780485 0.621841 Ca\n0.510785 0.992196 0.993547 Mn\n0.512063 0.995813 0.498056 Mn\n0.466644 0.508521 0.985195 Mn\n0.466384 0.505409 0.498358 Mn\n0.046985 0.247275 0.994194 Mn\n0.031629 0.238333 0.505992 Mn\n0.992660 0.742679 0.000989 Mn\n0.999783 0.747849 0.503940 Mn\n0.941043 0.268398 0.247525 Mn\n0.914381 0.270508 0.742363 Mn\n0.008064 0.755667 0.248007 Mn\n0.007301 0.756714 0.747147 Mn\n0.526727 0.991665 0.252780 Mn\n0.523824 0.994129 0.752000 Mn\n0.502602 0.518722 0.252598 Mn\n0.502337 0.515056 0.744831 Mn\n0.195422 0.592424 0.249911 O\n0.185674 0.588667 0.753624 O\n0.716819 0.404702 0.204581 O\n0.703182 0.399990 0.681154 O\n0.825148 0.897180 0.240144 O\n0.838187 0.906171 0.735427 O\n0.661725 0.149390 0.251832 O\n0.609752 0.162080 0.753607 O\n0.709700 0.657274 0.228431 O\n0.713492 0.660751 0.725057 O\n0.295862 0.860084 0.271084 O\n0.299821 0.856185 0.771443 O\n0.301894 0.354599 0.518861 O\n0.339768 0.350790 0.997616 O\n0.293277 0.856985 0.484769 O\n0.270593 0.848180 0.981852 O\n0.761428 0.148661 0.001620 O\n0.728595 0.148585 0.511680 O\n0.689512 0.627619 0.026236 O\n0.705607 0.626436 0.521624 O\n0.772927 0.877791 0.012001 O\n0.785306 0.886510 0.516846 O\n0.241501 0.095892 0.476317 O\n0.255819 0.100563 0.969597 O\n0.188016 0.604010 0.501995 O\n0.166008 0.591067 0.996670 O\n0.589615 0.987295 0.377671 O\n0.594461 0.985490 0.873157 O\n0.530774 0.475066 0.375566 O\n0.571047 0.484800 0.869938 O\n0.459775 0.997859 0.126661 O\n0.445037 0.998159 0.626946 O\n0.068991 0.238939 0.127987 O\n0.069613 0.209039 0.633794 O\n0.073178 0.752055 0.123775 O\n0.082721 0.757164 0.626879 O\n0.992889 0.286049 0.378523 O\n0.968382 0.301416 0.873163 O\n0.943517 0.745861 0.376662 O\n0.932779 0.739320 0.874507 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr",
"density": 4.065179276586706,
"density_atomic": 0.07499307996818595,
"volume": 960.0885845806613,
"volume_molar": 8.03026194224154,
"formula_full": "Sr4 Ca12 Mn16 O40",
"formula_reduced": "SrCa3Mn4O10",
"formula_anonymous": "AB3C4D10",
"energy": -556.7978137800001,
"energy_per_atom": -7.733302969166668,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -502.62981378,
"band_gap": 0.1503000000000001,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.743000Z",
"spacegroup": 1
},
{
"id": "mp-754995",
"created_at": "2022-09-04T14:39:16.627670Z",
"structure_string": "Li8 Mn4 P4 H4 O20\n1.0\n-0.694341 -1.970321 4.806030\n7.987996 -7.579193 0.020141\n2.711309 5.323899 5.082671\nLi Mn P H O\n8 4 4 4 20\ndirect\n0.789808 0.153769 0.439290 Li\n0.289780 0.653662 0.939383 Li\n0.016102 0.340768 0.525386 Li\n0.515784 0.840811 0.025067 Li\n0.674117 0.264076 0.113563 Li\n0.173813 0.764037 0.613540 Li\n0.165333 0.006161 0.589360 Li\n0.665443 0.506357 0.089866 Li\n0.999549 0.998743 0.993875 Mn\n0.274940 0.251957 0.772865 Mn\n0.499580 0.498719 0.493964 Mn\n0.774379 0.752022 0.272266 Mn\n0.362887 0.078503 0.295650 P\n0.862730 0.578545 0.795850 P\n0.143320 0.435075 0.187216 P\n0.643384 0.934985 0.686804 P\n0.828993 0.154689 0.809997 H\n0.328649 0.654578 0.310202 H\n0.630705 0.369494 0.710737 H\n0.130389 0.869520 0.210665 H\n0.630997 0.124051 0.235281 O\n0.130941 0.624008 0.735276 O\n0.184140 0.094961 0.175051 O\n0.683873 0.594976 0.675244 O\n0.629699 0.074668 0.668316 O\n0.129467 0.574703 0.168491 O\n0.180805 0.160739 0.499835 O\n0.680729 0.660868 0.999996 O\n0.963166 0.159179 0.875025 O\n0.463061 0.659105 0.375046 O\n0.593833 0.331137 0.597755 O\n0.093888 0.831137 0.097528 O\n0.373833 0.342542 0.010005 O\n0.873906 0.842506 0.509583 O\n0.931917 0.435142 0.799858 O\n0.432498 0.935124 0.299423 O\n0.231242 0.418095 0.355355 O\n0.731290 0.917950 0.854922 O\n0.856609 0.404315 0.211361 O\n0.356616 0.904291 0.711138 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.9300130155436412,
"density_atomic": 0.09759443086369174,
"volume": 409.85945249137455,
"volume_molar": 6.1705782867989765,
"formula_full": "Li8 Mn4 P4 H4 O20",
"formula_reduced": "Li2MnPHO5",
"formula_anonymous": "ABCD2E5",
"energy": -280.43362437,
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"energy_uncorrected": -260.02162437,
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"total_magnetization": 3.1e-06,
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"updated_at": "2021-11-28T01:34:40.279000Z",
"spacegroup": 1
},
{
"id": "mp-695074",
"created_at": "2022-09-04T14:39:16.734865Z",
"structure_string": "K2 Na6 Al8 Si8 O32\n1.0\n8.512997 0.000000 0.000000\n0.042890 10.089667 0.000000\n0.065150 4.905005 8.859305\nK Na Al Si O\n2 6 8 8 32\ndirect\n0.019350 0.006344 0.009550 K\n0.517737 0.009948 0.997634 K\n0.516097 0.559414 0.974571 Na\n0.511713 0.439718 0.563289 Na\n0.502585 0.991567 0.437859 Na\n0.018362 0.999078 0.546907 Na\n0.999141 0.562053 0.452985 Na\n0.013117 0.442350 0.003815 Na\n0.319444 0.236827 0.097091 Al\n0.818987 0.343373 0.335796 Al\n0.812076 0.903788 0.335646 Al\n0.199485 0.898325 0.337165 Al\n0.322816 0.099691 0.664443 Al\n0.315295 0.661210 0.667649 Al\n0.818650 0.763863 0.901766 Al\n0.825547 0.328860 0.761142 Al\n0.321298 0.662154 0.239573 Si\n0.682495 0.667635 0.232887 Si\n0.698185 0.240462 0.100045 Si\n0.197677 0.341375 0.336716 Si\n0.699005 0.099942 0.657706 Si\n0.702845 0.656544 0.665537 Si\n0.196428 0.760039 0.908257 Si\n0.193269 0.334484 0.760032 Si\n0.309286 0.718925 0.057559 O\n0.687353 0.712449 0.054775 O\n0.500129 0.704390 0.268784 O\n0.517221 0.299561 0.047481 O\n0.780707 0.342673 0.165982 O\n0.234759 0.337774 0.181311 O\n0.711928 0.488189 0.346887 O\n0.308587 0.476203 0.340609 O\n0.016657 0.392003 0.339171 O\n0.689802 0.059971 0.223265 O\n0.318742 0.040821 0.201880 O\n0.237652 0.178893 0.484027 O\n0.779562 0.164325 0.490704 O\n0.005152 0.957259 0.331785 O\n0.690228 0.230605 0.709753 O\n0.802689 0.773845 0.264241 O\n0.326246 0.232936 0.730027 O\n0.192649 0.746380 0.290388 O\n0.517977 0.045442 0.654051 O\n0.274824 0.838466 0.517695 O\n0.731703 0.823117 0.519386 O\n0.807042 0.959084 0.779004 O\n0.211406 0.941217 0.792169 O\n0.516437 0.613633 0.685389 O\n0.795386 0.524867 0.644232 O\n0.224841 0.514710 0.646528 O\n0.763177 0.652679 0.820802 O\n0.261791 0.652583 0.841827 O\n0.014499 0.718118 0.964485 O\n0.018477 0.291631 0.725446 O\n0.199132 0.294696 0.936690 O\n0.805955 0.263515 0.955599 O\n",
"nsites": 56,
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"elements": [
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"Na",
"Al",
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"O"
],
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"density": 2.5502071434364377,
"density_atomic": 0.0735917380933686,
"volume": 760.9549855848044,
"volume_molar": 8.183175062884755,
"formula_full": "K2 Na6 Al8 Si8 O32",
"formula_reduced": "KNa3Al4(SiO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy": -418.05643019,
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"updated_at": "2021-11-28T01:34:39.677000Z",
"spacegroup": 1
},
{
"id": "mp-753524",
"created_at": "2022-09-04T14:39:16.712402Z",
"structure_string": "La2 Bi7 O14\n1.0\n6.939945 0.000000 0.000000\n-3.382901 6.069334 0.000000\n-1.060433 -2.073315 10.412092\nLa Bi O\n2 7 14\ndirect\n0.995124 0.993260 0.985115 La\n0.665640 0.335243 0.005420 La\n0.772502 0.750968 0.302739 Bi\n0.323628 0.654697 0.978118 Bi\n0.546126 0.873155 0.691897 Bi\n0.074207 0.433641 0.296416 Bi\n0.223992 0.246435 0.688929 Bi\n0.923829 0.565698 0.691590 Bi\n0.453066 0.127859 0.302202 Bi\n0.716291 0.728289 0.096802 O\n0.380672 0.404586 0.331351 O\n0.637982 0.982238 0.902054 O\n0.633360 0.615759 0.690041 O\n0.118457 0.805391 0.326367 O\n0.043350 0.352946 0.091700 O\n0.260351 0.590717 0.768100 O\n0.312865 0.300056 0.901548 O\n0.175628 0.909391 0.695306 O\n0.736894 0.408480 0.230680 O\n0.833226 0.112013 0.331146 O\n0.953114 0.619477 0.902075 O\n0.884241 0.167994 0.693364 O\n0.335456 0.021708 0.097040 O\n",
"nsites": 23,
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"elements": [
"La",
"Bi",
"O"
],
"chemical_system": "Bi-La-O",
"density": 7.438795468550313,
"density_atomic": 0.05244363340143453,
"volume": 438.566104372373,
"volume_molar": 11.483073100414268,
"formula_full": "La2 Bi7 O14",
"formula_reduced": "La2(BiO2)7",
"formula_anonymous": "A2B7C14",
"energy": -153.03888945,
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"spacegroup": 1
},
{
"id": "mp-775268",
"created_at": "2022-09-04T14:39:16.768129Z",
"structure_string": "Li8 Mn7 Fe1 B8 O24\n1.0\n5.244915 0.000000 0.000000\n-2.609607 4.556214 0.000000\n-0.350013 -0.640687 20.992388\nLi Mn Fe B O\n8 7 1 8 24\ndirect\n0.348353 0.321972 0.665911 Li\n0.320911 0.348693 0.915890 Li\n0.349106 0.321016 0.166076 Li\n0.321115 0.349125 0.416093 Li\n0.661763 0.653112 0.791543 Li\n0.650847 0.661966 0.541334 Li\n0.661809 0.651469 0.291162 Li\n0.651376 0.661804 0.041172 Li\n0.993292 0.326177 0.559138 Mn\n0.996264 0.329426 0.058453 Mn\n0.997489 0.676838 0.933366 Mn\n0.997564 0.676663 0.433709 Mn\n0.677035 0.997260 0.183475 Mn\n0.330586 0.995821 0.807560 Mn\n0.329030 0.996211 0.308477 Mn\n0.681833 0.994468 0.683802 Fe\n0.658397 0.002830 0.937007 B\n0.658524 0.002907 0.437122 B\n0.996274 0.334308 0.811436 B\n0.995625 0.334421 0.312097 B\n0.003649 0.661409 0.686852 B\n0.002591 0.658521 0.187100 B\n0.333749 0.994179 0.562906 B\n0.334394 0.995428 0.062085 B\n0.753518 0.070656 0.790287 O\n0.752670 0.069980 0.290975 O\n0.929963 0.253686 0.952094 O\n0.420796 0.033133 0.916284 O\n0.929895 0.253529 0.452267 O\n0.420764 0.033283 0.416443 O\n0.963136 0.577906 0.826795 O\n0.357688 0.267971 0.569862 O\n0.962174 0.577751 0.327361 O\n0.358862 0.269061 0.069418 O\n0.269554 0.358095 0.819064 O\n0.269174 0.358829 0.319467 O\n0.730301 0.640652 0.693732 O\n0.727753 0.629148 0.194357 O\n0.629291 0.727976 0.944223 O\n0.021923 0.414819 0.667975 O\n0.629202 0.728038 0.444467 O\n0.033500 0.420972 0.166433 O\n0.577217 0.961811 0.578379 O\n0.577887 0.962336 0.077356 O\n0.069882 0.751226 0.541452 O\n0.069918 0.752597 0.040954 O\n0.258666 0.929291 0.700658 O\n0.253494 0.930025 0.202134 O\n",
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}