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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10132",
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"results": [
{
"id": "mp-1227898",
"created_at": "2022-09-04T14:39:34.902323Z",
"structure_string": "Ba2 Pr2 Ta2 Co2 O12\n1.0\n5.828780 0.000000 0.000000\n0.000000 5.753987 0.000000\n0.000000 5.729417 8.074158\nBa Pr Ta Co O\n2 2 2 2 12\ndirect\n0.761095 0.749069 0.749735 Ba\n0.238905 0.749069 0.249735 Ba\n0.700562 0.269577 0.247257 Pr\n0.299438 0.269577 0.747257 Pr\n0.758057 0.999056 0.000232 Ta\n0.241943 0.999056 0.500232 Ta\n0.753626 0.502138 0.498146 Co\n0.246374 0.502138 0.998146 Co\n0.047074 0.675047 0.546166 O\n0.952926 0.675047 0.046166 O\n0.485062 0.276467 0.471727 O\n0.514938 0.276467 0.971727 O\n0.497776 0.729386 0.534250 O\n0.502224 0.729386 0.034250 O\n0.968242 0.242485 0.453510 O\n0.031758 0.242485 0.953510 O\n0.241107 0.857087 0.741771 O\n0.758893 0.857087 0.241771 O\n0.277923 0.199688 0.257207 O\n0.722077 0.199688 0.757207 O\n",
"nsites": 20,
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"elements": [
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"Pr",
"Ta",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Pr-Ta",
"density": 7.53152603166135,
"density_atomic": 0.07385607297029498,
"volume": 270.79695948692034,
"volume_molar": 8.153887037051259,
"formula_full": "Ba2 Pr2 Ta2 Co2 O12",
"formula_reduced": "BaPrTaCoO6",
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"energy": -170.63913028000002,
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"energy_above_hull": null,
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"energy_uncorrected": -159.11913028,
"band_gap": 1.6852999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.802000Z",
"spacegroup": 7
},
{
"id": "mp-23376",
"created_at": "2022-09-04T14:39:35.111863Z",
"structure_string": "Ga2 Se2 Br14\n1.0\n6.773282 0.000000 0.000000\n0.000000 7.006515 0.000000\n0.000000 3.723498 14.853182\nGa Se Br\n2 2 14\ndirect\n0.997872 0.337192 0.501585 Ga\n0.002128 0.337192 0.001585 Ga\n0.593352 0.051200 0.662009 Se\n0.406648 0.051200 0.162009 Se\n0.605655 0.171916 0.264188 Br\n0.394345 0.171916 0.764188 Br\n0.126149 0.017692 0.004768 Br\n0.873851 0.017692 0.504768 Br\n0.129800 0.407936 0.135739 Br\n0.870200 0.407936 0.635739 Br\n0.133136 0.559343 0.872920 Br\n0.866864 0.559343 0.372920 Br\n0.655922 0.361354 0.997111 Br\n0.344078 0.361354 0.497111 Br\n0.389538 0.798461 0.632337 Br\n0.610462 0.798461 0.132337 Br\n0.814076 0.847656 0.766214 Br\n0.185924 0.847656 0.266214 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ga",
"Se",
"Br"
],
"chemical_system": "Br-Ga-Se",
"density": 3.3357875394945373,
"density_atomic": 0.025535936452553865,
"volume": 704.888972191964,
"volume_molar": 23.583003392842958,
"formula_full": "Ga2 Se2 Br14",
"formula_reduced": "GaSeBr7",
"formula_anonymous": "ABC7",
"energy": -52.13991303,
"energy_per_atom": -2.896661835,
"energy_above_hull": null,
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"energy_uncorrected": -44.66391303,
"band_gap": 2.2203,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005373,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.155000Z",
"spacegroup": 7
},
{
"id": "mp-685555",
"created_at": "2022-09-04T14:39:35.333522Z",
"structure_string": "Hg36 As36 S72\n1.0\n46.210701 0.000000 0.000000\n0.000000 9.481015 0.000000\n0.000000 3.326315 8.938406\nHg As S\n36 36 72\ndirect\n0.832618 0.004770 0.491626 Hg\n0.874649 0.378718 0.377228 Hg\n0.792580 0.878561 0.867330 Hg\n0.874937 0.622669 0.619643 Hg\n0.707409 0.877714 0.867919 Hg\n0.665947 0.504012 0.992005 Hg\n0.833530 0.508397 0.990840 Hg\n0.625983 0.377735 0.367806 Hg\n0.499304 0.003991 0.492095 Hg\n0.708447 0.120090 0.119688 Hg\n0.540715 0.377734 0.367843 Hg\n0.791655 0.120245 0.120039 Hg\n0.624903 0.620122 0.619801 Hg\n0.459285 0.877734 0.867843 Hg\n0.667389 0.004048 0.492021 Hg\n0.374017 0.877735 0.867806 Hg\n0.332611 0.504048 0.992021 Hg\n0.541775 0.620125 0.619730 Hg\n0.500696 0.503991 0.992095 Hg\n0.207420 0.378561 0.367330 Hg\n0.292591 0.377714 0.367919 Hg\n0.375097 0.120122 0.119801 Hg\n0.458225 0.120125 0.119730 Hg\n0.166470 0.008397 0.490840 Hg\n0.041383 0.879456 0.876769 Hg\n0.999827 0.509150 0.990577 Hg\n0.208345 0.620245 0.620039 Hg\n0.125351 0.878718 0.877228 Hg\n0.334053 0.004012 0.492005 Hg\n0.291553 0.620090 0.619688 Hg\n0.958617 0.379456 0.376769 Hg\n0.125063 0.122669 0.119643 Hg\n0.167382 0.504770 0.991626 Hg\n0.041502 0.122890 0.119962 Hg\n0.000173 0.009150 0.490577 Hg\n0.958498 0.622890 0.619962 Hg\n0.749865 0.497796 0.386902 As\n0.832425 0.748243 0.250743 As\n0.750009 0.007094 0.495849 As\n0.749936 0.501389 0.979167 As\n0.834274 0.246591 0.751871 As\n0.583338 0.507023 0.995757 As\n0.665580 0.246562 0.750574 As\n0.583326 0.997466 0.886946 As\n0.416674 0.497466 0.386946 As\n0.667787 0.746573 0.250634 As\n0.498918 0.746536 0.250599 As\n0.416662 0.007023 0.495757 As\n0.750042 0.500126 0.610553 As\n0.583349 0.001300 0.479093 As\n0.416651 0.501300 0.979093 As\n0.249991 0.507094 0.995849 As\n0.501082 0.246536 0.750599 As\n0.332213 0.246573 0.750634 As\n0.250135 0.997796 0.886902 As\n0.083359 0.598543 0.531572 As\n0.334420 0.746562 0.250574 As\n0.165726 0.746591 0.251871 As\n0.083344 0.016299 0.497873 As\n0.583334 0.000190 0.110536 As\n0.416666 0.500190 0.610536 As\n0.916641 0.098543 0.031572 As\n0.250064 0.001389 0.479167 As\n0.167575 0.248243 0.750743 As\n0.999240 0.248284 0.752020 As\n0.916656 0.516299 0.997873 As\n0.083409 0.502990 0.983264 As\n0.000760 0.748284 0.252020 As\n0.249958 0.000126 0.110553 As\n0.916591 0.002990 0.483264 As\n0.083450 0.451330 0.405402 As\n0.916550 0.951330 0.905402 As\n0.879328 0.354573 0.112821 S\n0.878357 0.665291 0.334618 S\n0.787109 0.843302 0.608048 S\n0.674465 0.495104 0.722057 S\n0.712974 0.843080 0.608091 S\n0.825153 0.275144 0.505361 S\n0.507797 0.995070 0.222093 S\n0.825498 0.495944 0.722294 S\n0.711479 0.162132 0.833667 S\n0.788299 0.162793 0.834301 S\n0.546288 0.343059 0.108022 S\n0.620384 0.343044 0.107994 S\n0.841814 0.779036 0.003419 S\n0.658390 0.774996 0.003913 S\n0.879286 0.889182 0.643628 S\n0.750060 0.723409 0.029866 S\n0.841194 0.996539 0.222740 S\n0.658890 0.995069 0.222114 S\n0.544815 0.662091 0.333668 S\n0.621871 0.662094 0.333709 S\n0.453712 0.843059 0.608022 S\n0.341110 0.495069 0.722114 S\n0.379616 0.843044 0.607994 S\n0.491700 0.274961 0.503892 S\n0.750043 0.950115 0.279291 S\n0.674990 0.274987 0.503858 S\n0.787213 0.387417 0.141253 S\n0.583349 0.223146 0.529905 S\n0.712670 0.386867 0.141431 S\n0.492203 0.495070 0.722093 S\n0.378129 0.162094 0.833709 S\n0.455185 0.162091 0.833668 S\n0.212891 0.343302 0.108048 S\n0.287026 0.343080 0.108091 S\n0.174502 0.995944 0.222294 S\n0.508300 0.774961 0.003892 S\n0.325010 0.774987 0.003858 S\n0.583336 0.449844 0.779235 S\n0.620638 0.886872 0.641352 S\n0.546058 0.886838 0.641326 S\n0.416651 0.723146 0.029905 S\n0.288521 0.662132 0.333667 S\n0.211701 0.662793 0.334301 S\n0.325535 0.995104 0.222057 S\n0.007907 0.497406 0.723019 S\n0.120672 0.854573 0.612821 S\n0.045932 0.854712 0.612899 S\n0.158186 0.279036 0.503419 S\n0.341610 0.274996 0.503913 S\n0.416664 0.949844 0.279235 S\n0.453942 0.386838 0.141326 S\n0.379362 0.386872 0.141352 S\n0.249940 0.223409 0.529866 S\n0.212787 0.887417 0.641253 S\n0.121643 0.165291 0.834618 S\n0.045229 0.165921 0.835257 S\n0.158806 0.496539 0.722740 S\n0.954068 0.354712 0.112899 S\n0.991649 0.779183 0.004779 S\n0.249957 0.450115 0.779291 S\n0.287330 0.886867 0.641431 S\n0.083310 0.719501 0.041852 S\n0.992093 0.997406 0.223019 S\n0.954771 0.665921 0.335257 S\n0.083297 0.956073 0.283110 S\n0.174847 0.775144 0.005361 S\n0.120714 0.389182 0.143628 S\n0.046096 0.389673 0.143399 S\n0.916690 0.219501 0.541852 S\n0.008351 0.279183 0.504779 S\n0.916703 0.456073 0.783110 S\n0.953904 0.889673 0.643399 S\n",
"nsites": 144,
"nelements": 3,
"elements": [
"Hg",
"As",
"S"
],
"chemical_system": "As-Hg-S",
"density": 5.184597053692803,
"density_atomic": 0.036770964748734106,
"volume": 3916.1333129002937,
"volume_molar": 16.377434753618534,
"formula_full": "Hg36 As36 S72",
"formula_reduced": "HgAsS2",
"formula_anonymous": "ABC2",
"energy": -516.1021882599999,
"energy_per_atom": -3.5840429740277773,
"energy_above_hull": null,
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"energy_uncorrected": -479.88618826,
"band_gap": 0.9166999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.348000Z",
"spacegroup": 7
},
{
"id": "mp-1218491",
"created_at": "2022-09-04T14:39:36.024936Z",
"structure_string": "Sr2 Ca2 Ni2 W2 O12\n1.0\n-5.569253 -0.000004 0.002563\n-0.012779 0.000003 -7.896755\n-0.000004 -5.652672 -0.000001\nSr Ca Ni W O\n2 2 2 2 12\ndirect\n0.994682 0.249525 0.531085 Sr\n0.494677 0.749525 0.968913 Sr\n0.010170 0.753123 0.451269 Ca\n0.510170 0.253122 0.048731 Ca\n0.500088 0.500219 0.502446 Ni\n0.000078 0.000213 0.997559 Ni\n0.499861 0.999272 0.500652 W\n0.999864 0.499278 0.999350 W\n0.791008 0.462201 0.272451 O\n0.291007 0.962208 0.227546 O\n0.191881 0.544766 0.716198 O\n0.691881 0.044760 0.783801 O\n0.715498 0.458030 0.803824 O\n0.215499 0.958025 0.696177 O\n0.273896 0.532493 0.209646 O\n0.773893 0.032498 0.290352 O\n0.936509 0.741145 0.024866 O\n0.436508 0.241146 0.475146 O\n0.086414 0.259225 0.983723 O\n0.586414 0.759225 0.516265 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ni",
"W",
"O"
],
"chemical_system": "Ca-Ni-O-Sr-W",
"density": 6.228414944097863,
"density_atomic": 0.08045078289627293,
"volume": 248.59919667638866,
"volume_molar": 7.485496776040684,
"formula_full": "Sr2 Ca2 Ni2 W2 O12",
"formula_reduced": "SrCaNiWO6",
"formula_anonymous": "ABCDE6",
"energy": -156.09869678,
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"updated_at": "2021-11-28T01:34:38.365000Z",
"spacegroup": 7
},
{
"id": "mp-1221129",
"created_at": "2022-09-04T14:39:36.216724Z",
"structure_string": "Na8 Ca8 B8 O24\n1.0\n0.000000 0.000000 -3.535967\n0.006016 -10.284421 0.000000\n-16.257345 0.009584 0.000000\nNa Ca B O\n8 8 8 24\ndirect\n0.213323 0.247492 0.081300 Na\n0.203910 0.259889 0.416808 Na\n0.796090 0.759889 0.916808 Na\n0.786677 0.747492 0.581300 Na\n0.377950 0.755135 0.751428 Na\n0.622050 0.255135 0.251428 Na\n0.236686 0.031951 0.900481 Na\n0.763314 0.531951 0.400481 Na\n0.530245 0.243864 0.752705 Ca\n0.469755 0.743864 0.252705 Ca\n0.234316 0.032523 0.600246 Ca\n0.234546 0.465507 0.901370 Ca\n0.240938 0.467620 0.594804 Ca\n0.759062 0.967620 0.094804 Ca\n0.765454 0.965507 0.401370 Ca\n0.765684 0.532523 0.100246 Ca\n0.319223 0.748439 0.042551 B\n0.320011 0.752433 0.461641 B\n0.679989 0.252433 0.961641 B\n0.680777 0.248439 0.542551 B\n0.839464 0.973055 0.746883 B\n0.835444 0.522368 0.750220 B\n0.164556 0.022368 0.250220 B\n0.160536 0.473055 0.246883 B\n0.033901 0.091672 0.743166 O\n0.044603 0.407225 0.750548 O\n0.955397 0.907225 0.250548 O\n0.966099 0.591672 0.243166 O\n0.481456 0.254085 0.889127 O\n0.463772 0.246868 0.613236 O\n0.536228 0.746868 0.113236 O\n0.518544 0.754085 0.389127 O\n0.762488 0.910464 0.819078 O\n0.734774 0.918705 0.669899 O\n0.738502 0.579001 0.825850 O\n0.738728 0.579164 0.675295 O\n0.261272 0.079164 0.175295 O\n0.261498 0.079001 0.325850 O\n0.265226 0.418705 0.169899 O\n0.237512 0.410464 0.319078 O\n0.225742 0.867221 0.008139 O\n0.226280 0.875023 0.495769 O\n0.233322 0.630335 0.004139 O\n0.249872 0.639961 0.505317 O\n0.750128 0.139961 0.005317 O\n0.766678 0.130335 0.504139 O\n0.773720 0.375023 0.995769 O\n0.774258 0.367221 0.508139 O\n",
"nsites": 48,
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"elements": [
"Na",
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-Na-O",
"density": 2.7385659780596323,
"density_atomic": 0.08119021946582558,
"volume": 591.204215431442,
"volume_molar": 7.417322923403141,
"formula_full": "Na8 Ca8 B8 O24",
"formula_reduced": "NaCaBO3",
"formula_anonymous": "ABCD3",
"energy": -338.64609952,
"energy_per_atom": -7.055127073333334,
"energy_above_hull": null,
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"band_gap": 3.8471,
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"updated_at": "2021-11-28T01:34:40.765000Z",
"spacegroup": 7
},
{
"id": "mp-41963",
"created_at": "2022-09-04T14:39:36.366243Z",
"structure_string": "Ca2 La2 Mn2 Fe2 O12\n1.0\n5.475991 0.000000 0.000000\n0.000000 5.518254 0.000000\n0.000000 5.486123 7.717048\nCa La Mn Fe O\n2 2 2 2 12\ndirect\n0.739029 0.737624 0.750607 Ca\n0.260971 0.737624 0.250607 Ca\n0.242052 0.257092 0.749608 La\n0.757948 0.257092 0.249608 La\n0.749985 0.499666 0.500464 Mn\n0.250015 0.499666 0.000464 Mn\n0.750096 0.000325 0.999417 Fe\n0.249904 0.000325 0.499417 Fe\n0.254911 0.820805 0.754375 O\n0.992012 0.310168 0.956543 O\n0.984859 0.713207 0.543998 O\n0.007988 0.310168 0.456543 O\n0.015141 0.713207 0.043998 O\n0.745089 0.820805 0.254375 O\n0.753964 0.171629 0.745381 O\n0.496943 0.696977 0.542756 O\n0.490720 0.292505 0.956852 O\n0.509280 0.292505 0.456852 O\n0.503057 0.696977 0.042756 O\n0.246036 0.171629 0.245381 O\n",
"nsites": 20,
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"elements": [
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"La",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-La-Mn-O",
"density": 5.4939405282399525,
"density_atomic": 0.0857658471384252,
"volume": 233.19305606251643,
"volume_molar": 7.021607039315226,
"formula_full": "Ca2 La2 Mn2 Fe2 O12",
"formula_reduced": "CaLaMnFeO6",
"formula_anonymous": "ABCDE6",
"energy": -162.48064367,
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"updated_at": "2021-11-28T01:34:25.928000Z",
"spacegroup": 7
},
{
"id": "mp-1049069",
"created_at": "2022-09-04T14:39:37.510362Z",
"structure_string": "La2 Zn2 Cr2 Cu2 O12\n1.0\n5.425481 0.000000 0.000000\n0.000000 5.432231 0.000000\n0.000000 5.347213 7.600495\nLa Zn Cr Cu O\n2 2 2 2 12\ndirect\n0.290872 0.749416 0.247765 La\n0.709128 0.749416 0.747765 La\n0.781454 0.254517 0.235412 Zn\n0.218546 0.254517 0.735412 Zn\n0.237434 0.989025 0.495407 Cr\n0.762566 0.989025 0.995407 Cr\n0.243117 0.488846 0.000612 Cu\n0.756883 0.488846 0.500612 Cu\n0.822381 0.322077 0.752518 O\n0.981893 0.138599 0.070825 O\n0.036087 0.761355 0.455033 O\n0.546349 0.264246 0.053956 O\n0.543700 0.914387 0.439131 O\n0.278722 0.617532 0.749340 O\n0.177619 0.322077 0.252518 O\n0.018107 0.138599 0.570825 O\n0.963913 0.761355 0.955033 O\n0.453651 0.264246 0.553956 O\n0.456300 0.914387 0.939131 O\n0.721278 0.617532 0.249340 O\n",
"nsites": 20,
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"elements": [
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"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-La-O-Zn",
"density": 6.165389898227551,
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