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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11520",
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"results": [
{
"id": "mp-1224299",
"created_at": "2022-09-04T14:46:13.077477Z",
"structure_string": "Ho2 Ga4 Fe13 C2\n1.0\n6.508276 0.000000 0.000000\n0.869598 6.467104 0.000000\n0.884103 0.678953 6.520419\nHo Ga Fe C\n2 4 13 2\ndirect\n0.662664 0.661249 0.662726 Ho\n0.334836 0.338297 0.335990 Ho\n0.850107 0.329691 0.327444 Ga\n0.648588 0.659721 0.136526 Ga\n0.658447 0.149974 0.671285 Ga\n0.166658 0.663620 0.665302 Ga\n0.712759 0.993593 0.287967 Fe\n0.007400 0.289078 0.714735 Fe\n0.283575 0.714712 0.003636 Fe\n0.001134 0.712603 0.286257 Fe\n0.711507 0.284703 0.999418 Fe\n0.291238 0.006573 0.713676 Fe\n0.904670 0.907679 0.909094 Fe\n0.095984 0.094365 0.090742 Fe\n0.003712 0.501343 0.998895 Fe\n0.492168 0.004767 0.005620 Fe\n0.004044 0.997515 0.497937 Fe\n0.341712 0.341951 0.865621 Fe\n0.340186 0.858548 0.335819 Fe\n0.491343 0.988983 0.491685 C\n0.997269 0.501035 0.499625 C\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ho",
"Ga",
"Fe",
"C"
],
"chemical_system": "C-Fe-Ga-Ho",
"density": 8.22129501199195,
"density_atomic": 0.07651877053822802,
"volume": 274.44246493098854,
"volume_molar": 7.870148353979889,
"formula_full": "Ho2 Ga4 Fe13 C2",
"formula_reduced": "Ho2Ga4Fe13C2",
"formula_anonymous": "A2B2C4D13",
"energy": -148.41970288,
"energy_per_atom": -7.067604899047619,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.668000Z",
"spacegroup": 1
},
{
"id": "mp-778120",
"created_at": "2022-09-04T14:46:13.095509Z",
"structure_string": "Li5 Mn4 Si6 O20\n1.0\n5.446057 0.015120 0.179028\n-2.635952 4.779498 -0.181727\n-2.059514 1.210241 16.184446\nLi Mn Si O\n5 4 6 20\ndirect\n0.406401 0.795808 0.771848 Li\n0.333024 0.840501 0.443839 Li\n0.666731 0.160442 0.556867 Li\n0.588204 0.195248 0.235885 Li\n0.853889 0.358600 0.049482 Li\n0.993172 0.799719 0.582014 Mn\n0.197894 0.011646 0.079334 Mn\n0.797683 0.979709 0.917281 Mn\n0.006706 0.205937 0.416870 Mn\n0.116722 0.120384 0.751252 Si\n0.331736 0.470758 0.598881 Si\n0.475058 0.321291 0.903505 Si\n0.517101 0.667361 0.095534 Si\n0.670980 0.531974 0.402501 Si\n0.882431 0.877969 0.248375 Si\n0.085362 0.876973 0.694518 O\n0.155575 0.956096 0.197204 O\n0.227353 0.422095 0.695004 O\n0.490906 0.629019 0.889304 O\n0.071473 0.210005 0.546777 O\n0.209171 0.121194 0.963022 O\n0.356399 0.774030 0.565824 O\n0.218271 0.653621 0.068617 O\n0.378385 0.543959 0.403738 O\n0.379292 0.160242 0.816211 O\n0.610302 0.817430 0.184752 O\n0.626230 0.462556 0.595791 O\n0.760727 0.317258 0.936807 O\n0.641325 0.226302 0.434434 O\n0.778334 0.896073 0.038151 O\n0.932398 0.790410 0.455024 O\n0.533640 0.370546 0.103795 O\n0.782987 0.582274 0.306916 O\n0.845049 0.054570 0.801135 O\n0.909283 0.124668 0.302758 O\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.9075611097237535,
"density_atomic": 0.08248660506016953,
"volume": 424.3113166612857,
"volume_molar": 7.3007499285577016,
"formula_full": "Li5 Mn4 Si6 O20",
"formula_reduced": "Li5Mn4(Si3O10)2",
"formula_anonymous": "A4B5C6D20",
"energy": -272.46109018,
"energy_per_atom": -7.784602576571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -252.04909018,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 16.9996311,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.430000Z",
"spacegroup": 1
},
{
"id": "mp-729405",
"created_at": "2022-09-04T14:46:13.291052Z",
"structure_string": "Pr16 S12 N8\n1.0\n4.996878 9.044755 0.000000\n-4.996878 9.044755 0.000000\n0.000000 9.005407 9.163036\nPr S N\n16 12 8\ndirect\n0.284184 0.367172 0.563428 Pr\n0.817045 0.915237 0.025336 Pr\n0.917100 0.806344 0.529589 Pr\n0.712385 0.634817 0.441843 Pr\n0.358551 0.286312 0.062260 Pr\n0.387144 0.797688 0.318819 Pr\n0.190695 0.572438 0.748102 Pr\n0.612138 0.202914 0.688922 Pr\n0.799415 0.390754 0.814467 Pr\n0.632595 0.722429 0.934434 Pr\n0.083828 0.188407 0.478269 Pr\n0.581935 0.191379 0.242228 Pr\n0.185247 0.078618 0.977237 Pr\n0.806026 0.423152 0.256943 Pr\n0.426868 0.812572 0.754459 Pr\n0.203162 0.607093 0.187405 Pr\n0.907511 0.895021 0.225671 S\n0.479455 0.524965 0.250627 S\n0.611166 0.112950 0.511452 S\n0.885334 0.385117 0.993837 S\n0.526289 0.480756 0.746001 S\n0.899770 0.907197 0.720745 S\n0.096784 0.101020 0.780257 S\n0.388734 0.893582 0.490053 S\n0.003099 0.494697 0.502888 S\n0.099951 0.093536 0.280261 S\n0.112408 0.609605 0.004814 S\n0.496387 0.997908 0.005383 S\n0.702734 0.680963 0.741944 N\n0.685643 0.702259 0.244206 N\n0.356407 0.808159 0.964768 N\n0.321101 0.303008 0.752159 N\n0.302560 0.313166 0.260160 N\n0.643681 0.185146 0.034609 N\n0.186030 0.639935 0.538056 N\n0.810420 0.350970 0.465545 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Pr",
"S",
"N"
],
"chemical_system": "N-Pr-S",
"density": 5.5160849150067115,
"density_atomic": 0.04346478730107836,
"volume": 828.2566701783179,
"volume_molar": 13.855217370063123,
"formula_full": "Pr16 S12 N8",
"formula_reduced": "Pr4S3N2",
"formula_anonymous": "A2B3C4",
"energy": -265.56125183,
"energy_per_atom": -7.376701439722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.63725183,
"band_gap": 1.5325000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.862000Z",
"spacegroup": 1
},
{
"id": "mp-1173225",
"created_at": "2022-09-04T14:46:13.320031Z",
"structure_string": "Sr6 La14 Mn17 Cu3 O60\n1.0\n4.809723 -0.016619 2.707044\n1.573132 4.544912 2.706019\n-0.177850 -0.138807 55.224068\nSr La Mn Cu O\n6 14 17 3 60\ndirect\n0.251218 0.252565 0.024716 Sr\n0.247738 0.250805 0.125202 Sr\n0.249714 0.248208 0.224971 Sr\n0.252102 0.251337 0.324720 Sr\n0.249324 0.251574 0.424628 Sr\n0.252040 0.253162 0.524122 Sr\n0.747737 0.749163 0.075245 La\n0.750129 0.751159 0.175112 La\n0.752053 0.750019 0.274748 La\n0.748895 0.750505 0.374689 La\n0.254399 0.249352 0.624510 La\n0.752466 0.753500 0.474088 La\n0.247833 0.249641 0.725061 La\n0.750373 0.749445 0.574515 La\n0.254077 0.252861 0.824271 La\n0.754653 0.755888 0.673368 La\n0.243938 0.236589 0.928069 La\n0.746347 0.748038 0.776026 La\n0.748194 0.745600 0.875825 La\n0.747795 0.747197 0.976269 La\n0.000744 0.995814 0.000508 Mn\n0.000516 0.000552 0.099830 Mn\n-0.000053 0.999454 0.199865 Mn\n0.501165 0.499119 0.050159 Mn\n-0.000297 0.000588 0.299990 Mn\n0.499029 0.500279 0.150022 Mn\n0.001551 0.001673 0.399465 Mn\n0.500289 0.499931 0.249897 Mn\n-0.001835 0.000026 0.500162 Mn\n0.499982 0.502361 0.349765 Mn\n0.998081 0.004054 0.599787 Mn\n0.500355 0.499213 0.450028 Mn\n0.001376 -0.000438 0.699936 Mn\n0.502069 0.501494 0.549495 Mn\n0.000246 -0.000393 0.900025 Mn\n0.501539 0.499631 0.749890 Mn\n0.496794 0.500409 0.850344 Mn\n-0.001663 0.997180 0.800616 Cu\n0.497986 0.498773 0.650620 Cu\n0.499071 0.498161 0.950365 Cu\n0.188531 0.749973 0.031092 O\n0.311983 0.193868 0.074361 O\n0.254191 0.704816 0.079173 O\n0.749530 0.309434 0.019058 O\n0.194523 0.750374 0.130625 O\n0.702165 0.798542 0.024743 O\n0.307038 0.189267 0.175250 O\n0.796358 0.255033 0.069953 O\n0.246938 0.704798 0.179559 O\n0.748781 0.305957 0.119331 O\n0.190812 0.750276 0.230671 O\n0.708080 0.791608 0.124811 O\n0.308092 0.193155 0.274918 O\n0.793111 0.247747 0.170765 O\n0.249790 0.708830 0.278999 O\n0.751860 0.307465 0.219069 O\n0.192490 0.748494 0.330844 O\n0.705137 0.794308 0.224647 O\n0.310594 0.193084 0.374593 O\n0.791494 0.250927 0.270723 O\n0.252117 0.706908 0.379169 O\n0.749201 0.310966 0.319149 O\n0.194081 0.753423 0.430274 O\n0.705525 0.794824 0.325235 O\n0.305031 0.190894 0.475606 O\n0.795735 0.252133 0.370253 O\n0.246328 0.707472 0.479463 O\n0.751985 0.304596 0.419081 O\n0.189190 0.748534 0.531545 O\n0.710519 0.792510 0.424936 O\n0.311415 0.188457 0.575976 O\n0.790428 0.246969 0.471094 O\n0.249243 0.689404 0.581249 O\n0.746138 0.313824 0.519160 O\n0.184350 0.758610 0.630249 O\n0.699592 0.795909 0.526235 O\n0.310053 0.172325 0.676710 O\n0.797339 0.249734 0.570285 O\n0.240444 0.686644 0.683008 O\n0.761281 0.307156 0.618076 O\n0.177661 0.752588 0.732104 O\n0.694931 0.819058 0.624767 O\n0.324105 0.191109 0.773751 O\n0.827208 0.233843 0.669182 O\n0.260927 0.680172 0.780565 O\n0.752258 0.320726 0.717707 O\n0.186999 0.737040 0.832990 O\n0.683116 0.818764 0.724870 O\n0.317960 0.182078 0.874351 O\n0.809414 0.258366 0.767707 O\n0.253614 0.676782 0.882111 O\n0.737165 0.324368 0.819362 O\n0.179212 0.762537 0.930182 O\n0.671608 0.809620 0.826328 O\n0.304989 0.180551 0.974903 O\n0.820879 0.251795 0.867790 O\n0.237363 0.716655 0.979897 O\n0.762317 0.305105 0.917580 O\n0.696764 0.822862 0.922612 O\n0.812049 0.242249 0.970380 O\n",
"nsites": 100,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-La-Mn-O-Sr",
"density": 6.240437896752348,
"density_atomic": 0.08250548049390065,
"volume": 1212.0406959801012,
"volume_molar": 7.299079678040536,
"formula_full": "Sr6 La14 Mn17 Cu3 O60",
"formula_reduced": "Sr6La14Mn17(CuO20)3",
"formula_anonymous": "A3B6C14D17E60",
"energy": -820.85728013,
"energy_per_atom": -8.2085728013,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -751.28128013,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:30.435000Z",
"spacegroup": 1
},
{
"id": "mp-780105",
"created_at": "2022-09-04T14:46:13.966381Z",
"structure_string": "Li3 Mn4 B4 O12\n1.0\n5.300254 0.000000 0.000000\n-2.310540 5.414817 0.000000\n-0.089383 -2.330188 8.711766\nLi Mn B O\n3 4 4 12\ndirect\n0.585108 0.317520 0.968265 Li\n0.917233 0.657570 0.531757 Li\n0.407066 0.679311 0.030594 Li\n0.540460 0.243021 0.306016 Mn\n0.035243 0.238736 0.788069 Mn\n0.953284 0.759929 0.206443 Mn\n0.452795 0.744572 0.693844 Mn\n0.557018 0.260823 0.638400 B\n0.939643 0.739449 0.865799 B\n0.058038 0.260093 0.128502 B\n0.446321 0.743879 0.368596 B\n0.605565 0.145788 0.752171 O\n0.716707 0.292626 0.522978 O\n0.832941 0.329741 0.141873 O\n0.356721 0.360142 0.662502 O\n0.128327 0.157741 0.236829 O\n0.772143 0.701122 0.980925 O\n0.219225 0.302968 0.009685 O\n0.873885 0.827458 0.744839 O\n0.658684 0.658673 0.362128 O\n0.166765 0.675807 0.858805 O\n0.289179 0.738519 0.488491 O\n0.388015 0.833028 0.246853 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.160077997964426,
"density_atomic": 0.09199011635365663,
"volume": 250.02686062029036,
"volume_molar": 6.546508471462128,
"formula_full": "Li3 Mn4 B4 O12",
"formula_reduced": "Li3Mn4(BO3)4",
"formula_anonymous": "A3B4C4D12",
"energy": -185.01657738,
"energy_per_atom": -8.04419901652174,
"energy_above_hull": null,
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"energy_uncorrected": -170.10057738,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.613000Z",
"spacegroup": 1
},
{
"id": "mp-698580",
"created_at": "2022-09-04T14:46:13.406759Z",
"structure_string": "Co7 Re17 O48\n1.0\n5.768994 0.000000 0.000000\n2.867131 6.737094 0.000000\n2.879701 0.069330 20.511471\nCo Re O\n7 17 48\ndirect\n0.483226 0.001216 0.002698 Co\n0.669757 0.014693 0.159736 Co\n0.665063 0.505351 0.666880 Co\n0.000040 0.007664 0.492572 Co\n0.843583 0.490069 0.339585 Co\n0.992576 0.505096 0.999706 Co\n0.174110 0.489088 0.666621 Co\n0.002448 0.999542 0.000361 Re\n0.332498 0.507643 0.328485 Re\n0.165853 0.996974 0.166570 Re\n0.499934 0.496997 0.999463 Re\n0.809777 0.001029 0.331333 Re\n0.135622 0.502778 0.166208 Re\n0.507929 0.990254 0.503704 Re\n0.141617 0.998234 0.668004 Re\n0.481017 0.499663 0.500294 Re\n0.694630 0.506473 0.166680 Re\n0.355876 0.992499 0.834805 Re\n0.364907 0.997473 0.331652 Re\n0.798702 0.005266 0.839180 Re\n0.860972 0.489451 0.833752 Re\n0.029880 0.497236 0.500741 Re\n0.695542 0.998007 0.666351 Re\n0.295338 0.508586 0.833830 Re\n0.511867 0.796335 0.165916 O\n0.838079 0.289338 0.998918 O\n0.619141 0.699015 0.998421 O\n0.385772 0.500892 0.230005 O\n0.729239 0.997293 0.062450 O\n0.118132 0.003150 0.266541 O\n0.452008 0.498078 0.101351 O\n0.188884 0.000645 0.071296 O\n0.616555 0.212198 0.499248 O\n0.994331 0.714754 0.330173 O\n0.225955 0.285385 0.332566 O\n0.287617 0.214080 0.164598 O\n0.364023 0.304895 0.000916 O\n0.838558 0.219822 0.167296 O\n0.162169 0.710365 0.999080 O\n0.726082 0.492773 0.562172 O\n0.053637 0.006821 0.391851 O\n0.450480 0.997978 0.602654 O\n0.789255 0.493165 0.439492 O\n0.557064 0.986942 0.407467 O\n0.882277 0.502828 0.241136 O\n0.947085 0.511185 0.092818 O\n0.162591 0.805192 0.834555 O\n0.301072 0.722423 0.668000 O\n0.537524 0.275213 0.668805 O\n0.850894 0.786025 0.502556 O\n0.481776 0.706345 0.330688 O\n0.177654 0.208875 0.499507 O\n0.040083 0.787295 0.167121 O\n0.666273 0.290913 0.332620 O\n0.041927 0.498468 0.906932 O\n0.392734 0.993136 0.733661 O\n0.780859 0.001590 0.932946 O\n0.116632 0.497100 0.760131 O\n0.872361 0.999459 0.742073 O\n0.221446 0.495168 0.573189 O\n0.284296 0.511463 0.424879 O\n0.623039 0.002592 0.257768 O\n0.992773 0.192240 0.833272 O\n0.811972 0.720887 0.666770 O\n0.455155 0.222192 0.835566 O\n0.358331 0.791262 0.501565 O\n0.022607 0.274099 0.669591 O\n0.547864 0.495508 0.898889 O\n0.605666 0.503082 0.775456 O\n0.953110 0.004930 0.593914 O\n0.700251 0.775524 0.836404 O\n0.262003 0.999806 0.927566 O\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Co",
"Re",
"O"
],
"chemical_system": "Co-O-Re",
"density": 9.052563352403908,
"density_atomic": 0.09031564646604634,
"volume": 797.2040595099764,
"volume_molar": 6.667882028906243,
"formula_full": "Co7 Re17 O48",
"formula_reduced": "Co7Re17O48",
"formula_anonymous": "A7B17C48",
"energy": -629.65120504,
"energy_per_atom": -8.745155625555556,
"energy_above_hull": null,
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"energy_uncorrected": -585.20920504,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:25.597000Z",
"spacegroup": 1
},
{
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