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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=21",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=19",
"results": [
{
"id": "mp-698018",
"created_at": "2022-09-04T14:47:02.190811Z",
"structure_string": "Li2 Al2 Si4 H4 O14\n1.0\n5.063433 0.000000 0.000000\n0.389662 7.634299 0.000000\n0.337431 3.099948 7.920050\nLi Al Si H O\n2 2 4 4 14\ndirect\n0.684076 0.814641 0.294714 Li\n0.164054 0.117353 0.713385 Li\n0.161744 0.062145 0.395669 Al\n0.667068 0.093171 0.905357 Al\n0.176643 0.922549 0.103423 Si\n0.097528 0.503208 0.149043 Si\n0.641841 0.511161 0.912725 Si\n0.662995 0.925720 0.627497 Si\n0.652957 0.516362 0.235283 H\n0.530917 0.388043 0.709342 H\n0.119155 0.478990 0.611279 H\n0.218050 0.387044 0.476569 H\n0.309905 0.953209 0.262559 O\n0.863206 0.994881 0.082723 O\n0.234181 0.703049 0.134809 O\n0.409824 0.450191 0.050565 O\n0.144463 0.309584 0.319745 O\n0.855540 0.942295 0.464209 O\n0.808095 0.583175 0.241391 O\n0.800867 0.034108 0.737042 O\n0.332405 0.045809 0.928415 O\n0.656881 0.352681 0.806180 O\n0.934808 0.483134 0.988946 O\n0.619013 0.704993 0.748273 O\n0.366484 0.013432 0.571608 O\n0.250698 0.391370 0.592451 O\n",
"nsites": 26,
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"Al",
"Si",
"H",
"O"
],
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"volume": 306.15556377673306,
"volume_molar": 7.091199613540938,
"formula_full": "Li2 Al2 Si4 H4 O14",
"formula_reduced": "LiAlSi2H2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -185.71275316,
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"updated_at": "2021-11-28T01:37:49.728000Z",
"spacegroup": 1
},
{
"id": "mp-1031514",
"created_at": "2022-09-04T14:47:27.121972Z",
"structure_string": "Li1 Mg6 Al1 O8\n1.0\n8.485062 0.000000 0.000000\n0.000000 4.200671 0.000000\n0.000000 0.000000 4.200671\nLi Mg Al O\n1 6 1 8\ndirect\n0.500000 0.000000 -0.000000 Li\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.260412 0.000000 0.500000 Mg\n0.739588 -0.000000 0.500000 Mg\n0.260412 0.500000 0.000000 Mg\n0.739588 0.500000 -0.000000 Mg\n-0.000000 0.000000 -0.000000 Al\n0.217185 0.000000 -0.000000 O\n0.782815 -0.000000 0.000000 O\n0.247443 0.500000 0.500000 O\n0.752557 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Mg",
"Al",
"O"
],
"chemical_system": "Al-Li-Mg-O",
"density": 3.413120416073885,
"density_atomic": 0.10686306480514207,
"volume": 149.72432270377956,
"volume_molar": 5.635380915736402,
"formula_full": "Li1 Mg6 Al1 O8",
"formula_reduced": "LiMg6AlO8",
"formula_anonymous": "ABC6D8",
"energy": -102.90120404,
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"updated_at": "2021-11-28T01:38:06.664000Z",
"spacegroup": 123
},
{
"id": "mp-1204113",
"created_at": "2022-09-04T14:47:05.656436Z",
"structure_string": "H96 C32 Se24 Br48 N8\n1.0\n12.987298 0.000000 -2.669208\n0.000000 17.446331 0.000000\n0.003467 0.000000 17.547837\nH C Se Br N\n96 32 24 48 8\ndirect\n0.417865 0.206230 0.551418 H\n0.582135 0.706230 0.948582 H\n0.582135 0.793770 0.448582 H\n0.417865 0.293770 0.051418 H\n0.524617 0.168624 0.514104 H\n0.475383 0.668624 0.985896 H\n0.475383 0.831376 0.485896 H\n0.524617 0.331376 0.014104 H\n0.493261 0.128864 0.600806 H\n0.506739 0.628864 0.899194 H\n0.506739 0.871136 0.399194 H\n0.493261 0.371136 0.100806 H\n0.487909 0.334884 0.554447 H\n0.512091 0.834884 0.945553 H\n0.512091 0.665116 0.445553 H\n0.487909 0.165116 0.054447 H\n0.616543 0.353372 0.606351 H\n0.383457 0.853372 0.893649 H\n0.383457 0.646628 0.393649 H\n0.616543 0.146628 0.106351 H\n0.595617 0.299661 0.517275 H\n0.404383 0.799661 0.982725 H\n0.404383 0.700339 0.482725 H\n0.595617 0.200339 0.017275 H\n0.446323 0.275036 0.672979 H\n0.553677 0.775036 0.827021 H\n0.553677 0.724964 0.327021 H\n0.446323 0.224964 0.172979 H\n0.530241 0.202195 0.723050 H\n0.469759 0.702195 0.776950 H\n0.469759 0.797805 0.276950 H\n0.530241 0.297805 0.223050 H\n0.574281 0.299357 0.721973 H\n0.425719 0.799357 0.778027 H\n0.425719 0.700643 0.278027 H\n0.574281 0.200643 0.221973 H\n0.721188 0.247538 0.673393 H\n0.278812 0.747538 0.826607 H\n0.278812 0.752462 0.326607 H\n0.721188 0.252462 0.173393 H\n0.669488 0.152013 0.667181 H\n0.330512 0.652013 0.832819 H\n0.330512 0.847987 0.332819 H\n0.669488 0.347987 0.167181 H\n0.700553 0.196369 0.582579 H\n0.299447 0.696369 0.917421 H\n0.299447 0.803631 0.417421 H\n0.700553 0.303631 0.082579 H\n0.181116 0.267582 0.417928 H\n0.818884 0.767582 0.082072 H\n0.818884 0.732418 0.582072 H\n0.181116 0.232418 0.917928 H\n0.123250 0.228032 0.493383 H\n0.876750 0.728032 0.006617 H\n0.876750 0.771968 0.506617 H\n0.123250 0.271968 0.993383 H\n0.219401 0.174627 0.457067 H\n0.780599 0.674627 0.042933 H\n0.780599 0.825373 0.542933 H\n0.219401 0.325373 0.957067 H\n0.148326 0.214346 0.291584 H\n0.851674 0.714346 0.208416 H\n0.851674 0.785654 0.708416 H\n0.148326 0.285654 0.791584 H\n0.173762 0.117090 0.322904 H\n0.826238 0.617090 0.177096 H\n0.826238 0.882910 0.677096 H\n0.173762 0.382910 0.822904 H\n0.051540 0.141923 0.263644 H\n0.948460 0.641923 0.236356 H\n0.948460 0.858077 0.736356 H\n0.051540 0.358077 0.763644 H\n0.008820 0.285399 0.337116 H\n0.991180 0.785399 0.162884 H\n0.991180 0.714601 0.662884 H\n0.008820 0.214601 0.837116 H\n0.923475 0.204587 0.317207 H\n0.076525 0.704587 0.182793 H\n0.076525 0.795413 0.682793 H\n0.923475 0.295413 0.817207 H\n0.952757 0.244918 0.413155 H\n0.047243 0.744918 0.086845 H\n0.047243 0.755082 0.586845 H\n0.952757 0.255082 0.913155 H\n0.972502 0.081822 0.372010 H\n0.027498 0.581822 0.127990 H\n0.027498 0.918178 0.627990 H\n0.972502 0.418178 0.872010 H\n0.102220 0.064226 0.422507 H\n0.897780 0.564226 0.077493 H\n0.897780 0.935774 0.577493 H\n0.102220 0.435774 0.922507 H\n0.015799 0.117852 0.469162 H\n0.984201 0.617852 0.030838 H\n0.984201 0.882148 0.530838 H\n0.015799 0.382148 0.969162 H\n0.494961 0.181430 0.566776 C\n0.505039 0.681430 0.933224 C\n0.505039 0.818570 0.433224 C\n0.494961 0.318570 0.066776 C\n0.566543 0.311958 0.570145 C\n0.433457 0.811958 0.929855 C\n0.433457 0.688042 0.429855 C\n0.566543 0.188042 0.070145 C\n0.526145 0.255053 0.688662 C\n0.473855 0.755053 0.811338 C\n0.473855 0.744947 0.311338 C\n0.526145 0.244947 0.188662 C\n0.671886 0.206136 0.636176 C\n0.328114 0.706136 0.863824 C\n0.328114 0.793864 0.363824 C\n0.671886 0.293864 0.136176 C\n0.155089 0.214994 0.441871 C\n0.844911 0.714994 0.058129 C\n0.844911 0.785006 0.558129 C\n0.155089 0.285006 0.941871 C\n0.114880 0.161615 0.309701 C\n0.885120 0.661615 0.190299 C\n0.885120 0.838385 0.690299 C\n0.114880 0.338385 0.809701 C\n0.982886 0.232307 0.360702 C\n0.017114 0.732307 0.139298 C\n0.017114 0.767693 0.639298 C\n0.982886 0.267693 0.860702 C\n0.038294 0.105124 0.413728 C\n0.961706 0.605124 0.086272 C\n0.961706 0.894876 0.586272 C\n0.038294 0.394876 0.913728 C\n0.967594 0.063539 0.086053 Se\n0.032406 0.563539 0.413947 Se\n0.032406 0.936461 0.913947 Se\n0.967594 0.436461 0.586053 Se\n0.117097 0.067684 0.040253 Se\n0.882903 0.567684 0.459747 Se\n0.882903 0.932316 0.959747 Se\n0.117097 0.432316 0.540253 Se\n0.684288 0.921726 0.179110 Se\n0.315712 0.421726 0.320890 Se\n0.315712 0.078274 0.820890 Se\n0.684288 0.578274 0.679110 Se\n0.719272 0.041547 0.370664 Se\n0.280728 0.541547 0.129336 Se\n0.280728 0.958453 0.629336 Se\n0.719272 0.458453 0.870664 Se\n0.955979 0.912124 0.294872 Se\n0.044021 0.412124 0.205128 Se\n0.044021 0.087876 0.705128 Se\n0.955979 0.587876 0.794872 Se\n0.527744 0.995087 0.253078 Se\n0.472256 0.495087 0.246922 Se\n0.472256 0.004913 0.746922 Se\n0.527744 0.504913 0.753078 Se\n0.853053 0.156424 0.009565 Br\n0.146947 0.656424 0.490435 Br\n0.146947 0.843576 0.990435 Br\n0.853053 0.343576 0.509565 Br\n0.217428 0.163883 0.121282 Br\n0.782572 0.663883 0.378718 Br\n0.782572 0.836117 0.878718 Br\n0.217428 0.336117 0.621282 Br\n0.647738 0.964104 0.045461 Br\n0.352262 0.464104 0.454539 Br\n0.352262 0.035896 0.954539 Br\n0.647738 0.535896 0.545461 Br\n0.613684 0.792658 0.153479 Br\n0.386316 0.292658 0.346521 Br\n0.386316 0.207342 0.846521 Br\n0.613684 0.707342 0.653479 Br\n0.796640 0.057316 0.228694 Br\n0.203360 0.557316 0.271306 Br\n0.203360 0.942684 0.771306 Br\n0.796640 0.442684 0.728694 Br\n0.767181 0.888309 0.343651 Br\n0.232819 0.388309 0.156349 Br\n0.232819 0.111691 0.656349 Br\n0.767181 0.611691 0.843651 Br\n0.672157 0.006510 0.493390 Br\n0.327843 0.506510 0.006610 Br\n0.327843 0.993490 0.506610 Br\n0.672157 0.493490 0.993390 Br\n0.696580 0.181100 0.387194 Br\n0.303420 0.681100 0.112806 Br\n0.303420 0.818900 0.612806 Br\n0.696580 0.318900 0.887194 Br\n0.040746 0.810096 0.373057 Br\n0.959254 0.310096 0.126943 Br\n0.959254 0.189904 0.626943 Br\n0.040746 0.689904 0.873057 Br\n0.099581 0.945993 0.231491 Br\n0.900419 0.445993 0.268509 Br\n0.900419 0.054007 0.768509 Br\n0.099581 0.554007 0.731491 Br\n0.417238 0.064528 0.328838 Br\n0.582762 0.564528 0.171162 Br\n0.582762 0.935472 0.671162 Br\n0.417238 0.435472 0.828838 Br\n0.385055 0.945458 0.154545 Br\n0.614945 0.445458 0.345455 Br\n0.614945 0.054542 0.845455 Br\n0.385055 0.554542 0.654545 Br\n0.564791 0.238718 0.615280 N\n0.435209 0.738718 0.884720 N\n0.435209 0.761282 0.384720 N\n0.564791 0.261282 0.115280 N\n0.072748 0.178441 0.381464 N\n0.927252 0.678441 0.118536 N\n0.927252 0.821559 0.618536 N\n0.072748 0.321559 0.881464 N\n",
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"elements": [
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"C",
"Se",
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"N"
],
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"volume": 3976.162636607107,
"volume_molar": 11.512024558798426,
"formula_full": "H96 C32 Se24 Br48 N8",
"formula_reduced": "H12C4Se3Br6N",
"formula_anonymous": "AB3C4D6E12",
"energy": -918.05178441,
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"updated_at": "2021-11-28T01:37:51.531000Z",
"spacegroup": 14
},
{
"id": "mp-1519314",
"created_at": "2022-09-04T14:47:46.215399Z",
"structure_string": "Na1 Sr1 Ce1 Bi1 O6\n1.0\n0.000000 -4.317577 -4.317577\n4.317577 0.000000 -4.317577\n4.317577 -4.317577 0.000000\nNa Sr Ce Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Bi\n0.754732 0.245268 0.245268 O\n0.245268 0.754732 0.754732 O\n0.754732 0.245268 0.754732 O\n0.245268 0.754732 0.245268 O\n0.754732 0.754732 0.245268 O\n0.245268 0.245268 0.754732 O\n",
"nsites": 10,
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"O"
],
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"density": 5.732462625433365,
"density_atomic": 0.06212261514006876,
"volume": 160.97197417482917,
"volume_molar": 9.69395886895906,
"formula_full": "Na1 Sr1 Ce1 Bi1 O6",
"formula_reduced": "NaSrCeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -67.78466270999999,
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"updated_at": "2021-11-28T01:38:19.243000Z",
"spacegroup": 216
},
{
"id": "mp-759485",
"created_at": "2022-09-04T14:47:05.074098Z",
"structure_string": "Li2 Sb2 P8 O24\n1.0\n9.057517 0.000000 0.000000\n0.000000 7.023803 0.000000\n0.000000 0.536401 7.507907\nLi Sb P O\n2 2 8 24\ndirect\n0.981535 0.795125 0.803598 Li\n0.481535 0.204875 0.196402 Li\n0.627178 0.748793 0.280682 Sb\n0.127178 0.251207 0.719318 Sb\n0.634625 0.996504 0.579149 P\n0.434787 0.892161 0.882965 P\n0.265868 0.614141 0.409311 P\n0.618842 0.551250 0.913379 P\n0.118842 0.448750 0.086621 P\n0.765868 0.385859 0.590689 P\n0.934787 0.107839 0.117035 P\n0.134625 0.003496 0.420851 P\n0.056397 0.982406 0.235239 O\n0.472706 0.923480 0.076095 O\n0.032327 0.974720 0.581540 O\n0.285348 0.947488 0.815912 O\n0.253536 0.840612 0.411013 O\n0.715093 0.808463 0.568326 O\n0.473626 0.676370 0.839401 O\n0.741609 0.686465 0.952269 O\n0.216553 0.529830 0.588349 O\n0.149959 0.566778 0.259859 O\n0.068828 0.585262 0.938932 O\n0.424475 0.583716 0.353110 O\n0.924475 0.416284 0.646890 O\n0.568828 0.414738 0.061068 O\n0.649959 0.433222 0.740141 O\n0.716553 0.470170 0.411651 O\n0.241609 0.313535 0.047731 O\n0.973626 0.323630 0.160599 O\n0.215093 0.191537 0.431674 O\n0.753536 0.159388 0.588987 O\n0.785348 0.052512 0.184088 O\n0.532327 0.025280 0.418460 O\n0.972706 0.076520 0.923905 O\n0.556397 0.017594 0.764761 O\n",
"nsites": 36,
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"elements": [
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],
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"volume": 477.6396423052476,
"volume_molar": 7.990036551439589,
"formula_full": "Li2 Sb2 P8 O24",
"formula_reduced": "LiSb(PO3)4",
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"energy": -262.59909830000004,
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"updated_at": "2021-11-28T01:37:54.374000Z",
"spacegroup": 4
},
{
"id": "mp-1519487",
"created_at": "2022-09-04T14:47:02.262423Z",
"structure_string": "Na1 Hf1 Nb1 Sn1 O6\n1.0\n0.000000 -4.078777 -4.078777\n4.078777 -0.000000 -4.078777\n4.078777 -4.078777 -0.000000\nNa Hf Nb Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Sn\n0.746132 0.253868 0.253868 O\n0.253868 0.746132 0.746132 O\n0.746132 0.253868 0.746132 O\n0.253868 0.746132 0.253868 O\n0.746132 0.746132 0.253868 O\n0.253868 0.253868 0.746132 O\n",
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],
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"density": 6.229109392912476,
"density_atomic": 0.07368517500319727,
"volume": 135.71250932858734,
"volume_molar": 8.17279834069566,
"formula_full": "Na1 Hf1 Nb1 Sn1 O6",
"formula_reduced": "NaHfNbSnO6",
"formula_anonymous": "ABCDE6",
"energy": -83.35798946,
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"updated_at": "2021-11-28T01:37:43.857000Z",
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},
{
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"updated_at": "2021-11-28T01:38:34.694000Z",
"spacegroup": 61
}
]
}