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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=24",
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"results": [
{
"id": "mp-1219347",
"created_at": "2022-09-04T14:45:27.419651Z",
"structure_string": "Si1 Pb7 Cl2 O8\n1.0\n2.859015 -11.461274 0.000000\n2.859015 11.461274 0.000000\n0.000000 0.000000 5.716984\nSi Pb Cl O\n1 7 2 8\ndirect\n0.143899 0.856101 0.500000 Si\n0.910022 0.089978 0.000000 Pb\n0.409586 0.590414 0.500000 Pb\n0.583316 0.416684 0.500000 Pb\n0.083319 0.916681 0.000000 Pb\n0.689983 0.310017 0.000000 Pb\n0.304918 0.695082 0.000000 Pb\n0.804793 0.195207 0.500000 Pb\n0.528006 0.471994 0.000000 Cl\n0.032394 0.967606 0.500000 Cl\n0.606299 0.894756 0.750228 O\n0.105244 0.393701 0.249772 O\n0.105244 0.393701 0.750228 O\n0.606299 0.894756 0.249772 O\n0.931399 0.638059 0.715382 O\n0.361941 0.068601 0.284618 O\n0.361941 0.068601 0.715382 O\n0.931399 0.638059 0.284618 O\n",
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"elements": [
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"O"
],
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"density": 7.434229965414481,
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"volume": 374.66774072141055,
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"formula_full": "Si1 Pb7 Cl2 O8",
"formula_reduced": "SiPb7(ClO4)2",
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"spacegroup": 38
},
{
"id": "mp-723082",
"created_at": "2022-09-04T14:45:27.422914Z",
"structure_string": "Na5 Te2 H36 Au1 O28\n1.0\n5.994539 0.000000 0.000000\n-0.425701 9.006190 0.000000\n-1.881909 -1.904292 12.510433\nNa Te H Au O\n5 2 36 1 28\ndirect\n0.000000 0.000000 0.500000 Na\n0.652498 0.669806 0.045718 Na\n0.347502 0.330194 0.954282 Na\n0.671345 0.773691 0.318549 Na\n0.328655 0.226309 0.681451 Na\n0.816467 0.755262 0.805812 Te\n0.183533 0.244738 0.194188 Te\n0.145653 0.718196 0.701071 H\n0.854347 0.281804 0.298929 H\n0.399206 0.768726 0.834047 H\n0.600794 0.231274 0.165953 H\n0.112910 0.486261 0.790504 H\n0.887090 0.513739 0.209496 H\n0.375918 0.527843 0.817461 H\n0.624082 0.472157 0.182539 H\n0.002401 0.683951 0.520287 H\n0.997599 0.316049 0.479713 H\n0.791636 0.750484 0.566839 H\n0.208364 0.249516 0.433161 H\n0.434747 0.659988 0.617009 H\n0.565253 0.340012 0.382991 H\n0.284525 0.503637 0.578173 H\n0.715475 0.496363 0.421827 H\n0.834739 0.194015 0.661995 H\n0.165261 0.805985 0.338005 H\n0.902588 0.066696 0.733140 H\n0.097412 0.933304 0.266860 H\n0.555067 0.059029 0.850534 H\n0.444933 0.940971 0.149466 H\n0.297339 0.011807 0.818514 H\n0.702661 0.988193 0.181486 H\n0.730182 0.429218 0.689551 H\n0.269818 0.570782 0.310449 H\n0.672526 0.361717 0.564252 H\n0.327474 0.638283 0.435748 H\n0.784267 0.458141 0.891168 H\n0.215733 0.541859 0.108832 H\n0.836244 0.357332 0.983930 H\n0.163756 0.642668 0.016070 H\n0.510034 0.922752 0.620241 H\n0.489966 0.077248 0.379759 H\n0.267822 0.915127 0.639337 H\n0.732178 0.084873 0.360663 H\n0.000000 0.000000 0.000000 Au\n0.122506 0.802566 0.756223 O\n0.877494 0.197434 0.243777 O\n0.653616 0.769022 0.669664 O\n0.346384 0.230978 0.330336 O\n0.857884 0.547746 0.787366 O\n0.142116 0.452254 0.212634 O\n0.530240 0.716121 0.865394 O\n0.469760 0.283879 0.134606 O\n0.973281 0.774174 0.956769 O\n0.026719 0.225826 0.043231 O\n0.822423 0.978866 0.849653 O\n0.177577 0.021134 0.150347 O\n0.263686 0.440762 0.794566 O\n0.736314 0.559238 0.205434 O\n0.868580 0.739252 0.500941 O\n0.131420 0.260748 0.499059 O\n0.285826 0.610729 0.573142 O\n0.714174 0.389271 0.426858 O\n0.942586 0.114420 0.672674 O\n0.057414 0.885580 0.327326 O\n0.402774 0.100375 0.843986 O\n0.597226 0.899625 0.156014 O\n0.661271 0.338196 0.636633 O\n0.338729 0.661804 0.363367 O\n0.722025 0.419136 0.950890 O\n0.277975 0.580864 0.049110 O\n0.364994 0.969626 0.600454 O\n0.635006 0.030374 0.399546 O\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Na",
"Te",
"H",
"Au",
"O"
],
"chemical_system": "Au-H-Na-O-Te",
"density": 2.5848861105471332,
"density_atomic": 0.10660148636241211,
"volume": 675.4127213125552,
"volume_molar": 5.649208998387303,
"formula_full": "Na5 Te2 H36 Au1 O28",
"formula_reduced": "Na5Te2H36AuO28",
"formula_anonymous": "AB2C5D28E36",
"energy": -375.11149404,
"energy_per_atom": -5.209881861666667,
"energy_above_hull": null,
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"total_magnetization": 2.19e-05,
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"updated_at": "2021-11-28T01:37:08.380000Z",
"spacegroup": 2
},
{
"id": "mp-25886",
"created_at": "2022-09-04T14:45:27.424654Z",
"structure_string": "Cu2 P2 O8\n1.0\n0.000000 4.787779 5.425491\n2.729800 0.000000 5.425491\n2.729800 4.787779 0.000000\nCu P O\n2 2 8\ndirect\n0.026006 0.473994 0.026006 Cu\n0.776006 0.223994 0.776006 Cu\n0.389234 0.110766 0.389234 P\n0.139234 0.860766 0.139234 P\n0.003572 0.177981 0.060983 O\n0.604182 0.759542 0.356183 O\n0.356183 0.280092 0.604182 O\n0.969908 0.893817 0.490458 O\n0.490458 0.645818 0.969908 O\n0.072019 0.246428 0.492537 O\n0.060983 0.757464 0.003572 O\n0.492536 0.189017 0.072019 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"P",
"O"
],
"chemical_system": "Cu-O-P",
"density": 3.7121196105101117,
"density_atomic": 0.08461498426969905,
"volume": 141.81885281396012,
"volume_molar": 7.1171091172282495,
"formula_full": "Cu2 P2 O8",
"formula_reduced": "CuPO4",
"formula_anonymous": "ABC4",
"energy": -80.22572683,
"energy_per_atom": -6.685477235833333,
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"band_gap": 0.0078999999999997,
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"total_magnetization": 9.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.021000Z",
"spacegroup": 43
},
{
"id": "mp-1275718",
"created_at": "2022-09-04T14:45:27.429686Z",
"structure_string": "Co6 Te2 O16\n1.0\n1.667065 -2.551951 -4.951157\n1.628110 -5.838435 0.109971\n-10.577574 -0.195581 -0.036597\nCo Te O\n6 2 16\ndirect\n0.999997 0.499997 0.500002 Co\n0.500003 0.999995 0.500001 Co\n0.500018 0.499977 0.999998 Co\n0.500021 0.000001 0.999997 Co\n0.999994 0.500013 0.000005 Co\n0.000000 0.000005 0.500002 Co\n0.999930 0.000018 0.999994 Te\n0.500022 0.499999 0.500003 Te\n0.132272 0.153667 0.420789 O\n0.625081 0.654573 0.918316 O\n0.374929 0.345420 0.081681 O\n0.867732 0.846330 0.579214 O\n0.647205 0.608693 0.395051 O\n0.141820 0.123458 0.897875 O\n0.138153 0.606426 0.394497 O\n0.638249 0.104314 0.894169 O\n0.633538 0.142962 0.408870 O\n0.139553 0.650307 0.905393 O\n0.860469 0.349694 0.094614 O\n0.366464 0.857036 0.591131 O\n0.361713 0.895702 0.105798 O\n0.861850 0.393573 0.605509 O\n0.858198 0.876528 0.102143 O\n0.352791 0.391311 0.604949 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"Te",
"O"
],
"chemical_system": "Co-O-Te",
"density": 4.624092010065826,
"density_atomic": 0.07728196716738213,
"volume": 310.55110111288053,
"volume_molar": 7.7924268503114975,
"formula_full": "Co6 Te2 O16",
"formula_reduced": "Co3TeO8",
"formula_anonymous": "AB3C8",
"energy": -157.15643817,
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"energy_uncorrected": -136.33643817,
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"updated_at": "2021-11-28T01:36:58Z",
"spacegroup": 12
},
{
"id": "mp-1174824",
"created_at": "2022-09-04T14:45:27.434433Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.451197 7.661916 0.000000\n-1.451197 7.661916 0.000000\n0.000000 6.189776 11.339980\nLi Mn Co O\n8 2 4 14\ndirect\n0.642025 0.642025 0.790636 Li\n0.934723 0.934723 0.342600 Li\n0.211553 0.211553 0.942785 Li\n0.067785 0.067785 0.642978 Li\n0.361534 0.361534 0.210609 Li\n0.507524 0.507524 0.492704 Li\n0.780900 0.780900 0.075292 Li\n0.568592 0.568592 0.143619 Li\n0.000257 0.000257 0.007766 Mn\n0.286060 0.286060 0.571576 Mn\n0.858268 0.858268 0.717008 Co\n0.141247 0.141247 0.267312 Co\n0.429668 0.429668 0.857337 Co\n0.710590 0.710590 0.423867 Co\n0.595232 0.595232 0.968223 O\n0.880440 0.880440 0.541944 O\n0.179779 0.179779 0.112463 O\n0.027079 0.027079 0.833613 O\n0.311749 0.311749 0.406984 O\n0.460768 0.460768 0.684596 O\n0.738943 0.738943 0.258558 O\n0.690932 0.690932 0.602911 O\n0.964736 0.964736 0.164656 O\n0.256778 0.256778 0.736849 O\n0.115364 0.115364 0.463974 O\n0.406071 0.406071 0.029425 O\n0.542286 0.542286 0.320628 O\n0.829116 0.829116 0.889084 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.116350368315603,
"density_atomic": 0.11103297817057492,
"volume": 252.17733020711083,
"volume_molar": 5.423740639243648,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.20515586,
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"updated_at": "2021-11-28T01:36:58.484000Z",
"spacegroup": 8
},
{
"id": "mp-16794",
"created_at": "2022-09-04T14:45:27.436352Z",
"structure_string": "Sc8 Re12 Si16\n1.0\n6.631072 0.000000 0.000000\n0.000000 6.631072 0.000000\n0.000000 0.000000 12.473815\nSc Re Si\n8 12 16\ndirect\n0.007513 0.658686 0.030950 Sc\n0.992487 0.341314 0.530950 Sc\n0.341314 0.992487 0.469050 Sc\n0.158686 0.492487 0.780950 Sc\n0.841314 0.507513 0.280950 Sc\n0.492487 0.158686 0.219050 Sc\n0.507513 0.841314 0.719050 Sc\n0.658686 0.007513 0.969050 Sc\n0.667964 0.667964 0.500000 Re\n0.167964 0.832036 0.250000 Re\n0.332036 0.332036 0.000000 Re\n0.017677 0.814534 0.632628 Re\n0.982323 0.185466 0.132628 Re\n0.814534 0.017677 0.367372 Re\n0.314534 0.482323 0.382628 Re\n0.685466 0.517677 0.882628 Re\n0.482323 0.314534 0.617372 Re\n0.517677 0.685466 0.117372 Re\n0.185466 0.982323 0.867372 Re\n0.832036 0.167964 0.750000 Re\n0.026247 0.721422 0.437694 Si\n0.620753 0.304546 0.430395 Si\n0.379247 0.695454 0.930395 Si\n0.195454 0.120753 0.680395 Si\n0.304546 0.620753 0.569605 Si\n0.695454 0.379247 0.069605 Si\n0.804546 0.879247 0.180395 Si\n0.120753 0.195454 0.319605 Si\n0.973753 0.278578 0.937694 Si\n0.721422 0.026247 0.562306 Si\n0.221422 0.473753 0.187694 Si\n0.778578 0.526247 0.687694 Si\n0.473753 0.221422 0.812306 Si\n0.526247 0.778578 0.312306 Si\n0.278578 0.973753 0.062306 Si\n0.879247 0.804546 0.819605 Si\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Re",
"Si"
],
"chemical_system": "Re-Sc-Si",
"density": 9.214155079305874,
"density_atomic": 0.06563503407769773,
"volume": 548.4875646957654,
"volume_molar": 9.175192554743072,
"formula_full": "Sc8 Re12 Si16",
"formula_reduced": "Sc2Re3Si4",
"formula_anonymous": "A2B3C4",
"energy": -308.70711586,
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"updated_at": "2021-11-28T01:37:01.827000Z",
"spacegroup": 92
},
{
"id": "mp-1176930",
"created_at": "2022-09-04T14:45:27.441717Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n9.787157 0.000000 0.000000\n-4.859007 8.541611 0.000000\n-0.121105 -0.069118 13.997107\nLi V P O\n12 6 16 58\ndirect\n0.094843 0.326901 0.061971 Li\n0.236308 0.338206 0.560866 Li\n0.101325 0.767488 0.556237 Li\n0.224869 0.910497 0.063987 Li\n0.677885 0.772565 0.060048 Li\n0.669360 0.901641 0.556790 Li\n0.778854 0.086908 0.940213 Li\n0.658915 0.321581 0.609764 Li\n0.654407 0.324351 0.112287 Li\n0.768133 0.678302 0.435180 Li\n0.918715 0.692970 0.938241 Li\n0.026243 0.044736 0.491043 Li\n0.434560 0.002917 0.256922 V\n0.564447 0.997185 0.749439 V\n0.430830 0.431086 0.752986 V\n0.561703 0.561467 0.248762 V\n0.999557 0.431116 0.252949 V\n0.004942 0.568390 0.748907 V\n0.086001 0.316796 0.843937 P\n0.231420 0.315088 0.344547 P\n0.085240 0.772209 0.341924 P\n0.332024 0.670175 0.129750 P\n0.337584 0.666696 0.626172 P\n0.233368 0.914979 0.844808 P\n0.305683 0.086348 0.659832 P\n0.679730 0.766923 0.841533 P\n0.313289 0.225072 0.160124 P\n0.689351 0.913393 0.343765 P\n0.769042 0.090493 0.159388 P\n0.669355 0.334687 0.370505 P\n0.671037 0.336394 0.870662 P\n0.909988 0.221265 0.659484 P\n0.769139 0.677673 0.657992 P\n0.907195 0.676098 0.157274 P\n0.006989 0.211853 0.580537 O\n0.091441 0.344726 0.329724 O\n0.226979 0.241760 0.077691 O\n0.248690 0.336100 0.838252 O\n0.094955 0.476651 0.819097 O\n0.182684 0.520737 0.166452 O\n0.083984 0.616596 0.330880 O\n0.001437 0.752895 0.069393 O\n0.085009 0.749784 0.835539 O\n0.332638 0.514465 0.670097 O\n0.386879 0.469868 0.333533 O\n0.190436 0.673609 0.664016 O\n0.338633 0.679726 0.023620 O\n0.339989 0.659872 0.519891 O\n0.338962 0.820256 0.175531 O\n0.518638 0.622158 0.826277 O\n0.481629 0.663420 0.170941 O\n0.249678 0.913276 0.338211 O\n0.216910 0.015214 0.760100 O\n0.200626 0.988144 0.579882 O\n0.242998 0.987731 0.938918 O\n0.383691 0.904573 0.820329 O\n0.490787 0.811906 0.666724 O\n0.332262 0.078606 0.157951 O\n0.531920 0.911797 0.334781 O\n0.666978 0.746668 0.335145 O\n0.217297 0.202541 0.258172 O\n0.215599 0.233183 0.437459 O\n0.765885 0.764234 0.569874 O\n0.331058 0.254092 0.657694 O\n0.470908 0.099755 0.668236 O\n0.670642 0.920131 0.838424 O\n0.517072 0.189118 0.328319 O\n0.624327 0.112289 0.173621 O\n0.754353 0.997236 0.070377 O\n0.780996 0.988650 0.433762 O\n0.791878 0.004263 0.250550 O\n0.738931 0.078990 0.657293 O\n0.523955 0.338592 0.825138 O\n0.482927 0.369398 0.174511 O\n0.672004 0.187120 0.831668 O\n0.669240 0.336973 0.977685 O\n0.668780 0.339644 0.477394 O\n0.809616 0.325663 0.327585 O\n0.623706 0.514231 0.668948 O\n0.673883 0.487952 0.330598 O\n0.917851 0.254261 0.156934 O\n0.980355 0.199862 0.759570 O\n0.999328 0.252296 0.935594 O\n0.895939 0.371083 0.666623 O\n0.819369 0.488333 0.833289 O\n0.886977 0.510904 0.174057 O\n0.741843 0.659016 0.152938 O\n0.761594 0.760823 0.931717 O\n0.789651 0.782366 0.751074 O\n0.918270 0.658716 0.658275 O\n0.998193 0.776755 0.430142 O\n0.991449 0.784969 0.248693 O\n",
"nsites": 92,
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"elements": [
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"P",
"O"
],
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"density": 2.5721081495432077,
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"volume": 1170.1313811907125,
"volume_molar": 7.659452049156182,
"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
"formula_anonymous": "A3B6C8D29",
"energy": -695.73818081,
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