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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=52",
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"results": [
{
"id": "mp-1233534",
"created_at": "2022-09-04T14:42:47.373286Z",
"structure_string": "Mg1 P4 Br12 O4\n1.0\n7.085401 -0.522056 -0.031964\n-0.856430 10.217991 0.050712\n-0.008315 0.095758 11.218034\nMg P Br O\n1 4 12 4\ndirect\n0.500306 0.996124 0.759771 Mg\n0.375588 0.312735 0.256726 P\n0.626256 0.685372 0.764813 P\n0.926185 0.212193 0.754072 P\n0.095054 0.809079 0.242171 P\n0.768831 0.658266 0.598362 Br\n0.929439 0.968859 0.204114 Br\n0.231220 0.859802 0.415004 Br\n0.656926 0.155317 0.916618 Br\n0.199594 0.357072 0.407877 Br\n0.799431 0.624806 0.909247 Br\n0.360192 0.547319 0.763390 Br\n0.686563 0.131344 0.591125 Br\n0.159594 0.947939 0.728079 Br\n0.200029 0.344829 0.098677 Br\n0.327590 0.835637 0.110720 Br\n0.615592 0.476342 0.250580 Br\n0.594721 0.824903 0.779921 O\n0.972686 0.357653 0.740149 O\n0.432486 0.180727 0.262835 O\n0.979217 0.676179 0.239647 O\n",
"nsites": 21,
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"elements": [
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"P",
"Br",
"O"
],
"chemical_system": "Br-Mg-O-P",
"density": 2.40926742978934,
"density_atomic": 0.02601844770354033,
"volume": 807.1196344716034,
"volume_molar": 23.145657375941635,
"formula_full": "Mg1 P4 Br12 O4",
"formula_reduced": "MgP4(Br3O)4",
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"band_gap": 2.0645,
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"updated_at": "2021-11-28T01:35:53.254000Z",
"spacegroup": 1
},
{
"id": "mp-15704",
"created_at": "2022-09-04T14:43:12.261766Z",
"structure_string": "Be2 Si2 N4\n1.0\n-2.036497 2.036497 4.082512\n2.036497 -2.036497 4.082512\n2.036497 2.036497 -4.082512\nBe Si N\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.129493 0.125000 0.504493 N\n0.620507 0.625000 0.495507 N\n0.875000 0.379493 0.004493 N\n0.375000 0.870507 0.995507 N\n",
"nsites": 8,
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"elements": [
"Be",
"Si",
"N"
],
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"density": 3.1928535219439826,
"density_atomic": 0.11812313818930631,
"volume": 67.72593517773845,
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"formula_full": "Be2 Si2 N4",
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"formula_anonymous": "ABC2",
"energy": -62.87658524,
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"band_gap": 3.5618,
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"updated_at": "2021-11-28T01:35:57.230000Z",
"spacegroup": 122
},
{
"id": "mp-1202720",
"created_at": "2022-09-04T14:42:01.691528Z",
"structure_string": "Cs16 Te8 S24\n1.0\n13.043062 0.000000 0.000000\n0.000000 10.284824 0.000000\n0.000000 9.994769 14.541154\nCs Te S\n16 8 24\ndirect\n0.912385 0.696946 0.876692 Cs\n0.587615 0.696946 0.376692 Cs\n0.087615 0.303054 0.123308 Cs\n0.412385 0.303054 0.623308 Cs\n0.727570 0.877625 0.084022 Cs\n0.772430 0.877625 0.584022 Cs\n0.272430 0.122375 0.915978 Cs\n0.227570 0.122375 0.415978 Cs\n0.850939 0.380691 0.598807 Cs\n0.649061 0.380691 0.098807 Cs\n0.149061 0.619309 0.401193 Cs\n0.350939 0.619309 0.901193 Cs\n0.633865 0.331630 0.848555 Cs\n0.866135 0.331630 0.348555 Cs\n0.366135 0.668370 0.151445 Cs\n0.133865 0.668370 0.651445 Cs\n0.964246 0.294636 0.885269 Te\n0.535754 0.294636 0.385269 Te\n0.035754 0.705364 0.114731 Te\n0.464246 0.705364 0.614731 Te\n0.609653 0.949491 0.804477 Te\n0.890347 0.949491 0.304477 Te\n0.390347 0.050509 0.195523 Te\n0.109653 0.050509 0.695523 Te\n0.881985 0.502791 0.750967 S\n0.618015 0.502791 0.250967 S\n0.118015 0.497209 0.249033 S\n0.381985 0.497209 0.749033 S\n0.888876 0.578377 0.106186 S\n0.611124 0.578377 0.606186 S\n0.111124 0.421623 0.893814 S\n0.388876 0.421623 0.393814 S\n0.642017 0.250834 0.506616 S\n0.857983 0.250834 0.006616 S\n0.357983 0.749166 0.493384 S\n0.142017 0.749166 0.993384 S\n0.640196 0.697980 0.833643 S\n0.859804 0.697980 0.333643 S\n0.359804 0.302020 0.166357 S\n0.140196 0.302020 0.666357 S\n0.510000 0.900419 0.930396 S\n0.990000 0.900419 0.430396 S\n0.490000 0.099581 0.069604 S\n0.010000 0.099581 0.569604 S\n0.768409 0.036818 0.824870 S\n0.731591 0.036818 0.324870 S\n0.231591 0.963182 0.175130 S\n0.268409 0.963182 0.675130 S\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Cs",
"Te",
"S"
],
"chemical_system": "Cs-S-Te",
"density": 3.334344232256493,
"density_atomic": 0.024607411994056815,
"volume": 1950.6317857234628,
"volume_molar": 24.47287330116011,
"formula_full": "Cs16 Te8 S24",
"formula_reduced": "Cs2TeS3",
"formula_anonymous": "AB2C3",
"energy": -186.44830755,
"energy_per_atom": -3.884339740625,
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"energy_uncorrected": -174.37630755,
"band_gap": 2.4192,
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"updated_at": "2021-11-28T01:35:33.829000Z",
"spacegroup": 14
},
{
"id": "mp-1245046",
"created_at": "2022-09-04T14:42:01.699372Z",
"structure_string": "Ga50 N50\n1.0\n11.806677 0.150982 0.163350\n0.140906 11.855036 0.383672\n0.154919 0.377080 11.333906\nGa N\n50 50\ndirect\n0.041534 0.939263 0.481230 Ga\n0.056324 0.837061 0.220810 Ga\n0.825067 0.847305 0.927531 Ga\n0.197640 0.909128 0.810701 Ga\n0.161938 0.094948 0.119524 Ga\n0.233552 0.520232 0.768753 Ga\n0.609301 0.773961 0.755092 Ga\n0.934969 0.080096 0.220971 Ga\n0.352993 0.163621 0.573464 Ga\n0.453314 0.094059 0.121688 Ga\n0.414573 0.893158 0.679498 Ga\n0.327621 0.074099 0.870432 Ga\n0.530192 0.338721 0.118665 Ga\n0.796407 0.340909 0.297092 Ga\n0.121392 0.209273 0.381156 Ga\n0.687058 0.054572 0.898212 Ga\n0.215208 0.007952 0.583229 Ga\n0.503320 0.510289 0.824087 Ga\n0.146839 0.754684 0.664518 Ga\n0.901912 0.190784 0.438058 Ga\n0.784632 0.927164 0.447919 Ga\n0.488413 0.399304 0.554908 Ga\n0.897980 0.539603 0.435781 Ga\n0.865973 0.143172 0.984496 Ga\n0.325768 0.307188 0.340563 Ga\n0.368676 0.752841 0.883885 Ga\n0.933339 0.590718 0.170352 Ga\n0.090462 0.374917 0.195573 Ga\n0.538084 0.886959 0.309547 Ga\n0.676250 0.150753 0.117616 Ga\n0.888541 0.350188 0.839489 Ga\n0.764820 0.225441 0.635181 Ga\n0.504166 0.085264 0.720363 Ga\n0.003693 0.711808 0.436522 Ga\n0.333903 0.883279 0.085860 Ga\n0.014892 0.511674 0.714969 Ga\n0.753840 0.531811 0.701761 Ga\n0.873012 0.766895 0.690346 Ga\n0.895158 0.628720 0.939968 Ga\n0.772700 0.797708 0.213690 Ga\n0.677301 0.428959 0.463618 Ga\n0.731387 0.403490 0.015675 Ga\n0.007557 0.953080 0.963039 Ga\n0.330853 0.315784 0.756804 Ga\n0.584648 0.892179 0.014399 Ga\n0.394367 0.675907 0.623996 Ga\n0.277541 0.841919 0.436723 Ga\n0.634023 0.693501 0.499130 Ga\n0.611364 0.306233 0.810293 Ga\n0.651459 0.658629 0.966497 Ga\n0.601632 0.168174 0.456913 N\n0.316234 0.348647 0.961987 N\n0.396923 0.049551 0.379876 N\n0.993289 0.799019 0.581033 N\n0.120435 0.818574 0.373309 N\n0.890421 0.610836 0.759500 N\n0.484123 0.380511 0.726975 N\n0.633160 0.605601 0.790616 N\n0.753669 0.021286 0.201124 N\n0.281010 0.557916 0.116174 N\n0.575393 0.388636 0.954175 N\n0.529480 0.771762 0.919603 N\n0.173243 0.519901 0.417586 N\n0.754467 0.557219 0.525741 N\n0.043408 0.286680 0.637271 N\n0.960787 0.025285 0.712413 N\n0.072117 0.188828 0.216412 N\n0.639216 0.561748 0.278130 N\n0.374682 0.307687 0.500650 N\n0.716474 0.795026 0.056061 N\n0.110407 0.729883 0.083448 N\n0.098062 0.751490 0.983938 N\n0.272183 0.315174 0.046334 N\n0.045819 0.975699 0.129554 N\n0.377055 0.672434 0.306103 N\n0.367157 0.607985 0.803027 N\n0.756380 0.363377 0.734467 N\n0.484435 0.927445 0.147353 N\n0.404605 0.588291 0.347327 N\n0.139778 0.522356 0.933905 N\n0.590328 0.553266 0.195383 N\n0.918676 0.024516 0.400313 N\n0.713447 0.945199 0.281326 N\n0.216270 0.516061 0.504597 N\n0.306818 0.061586 0.047009 N\n0.922636 0.740774 0.253912 N\n0.357533 0.593505 0.069310 N\n0.063021 0.480032 0.982257 N\n0.095908 0.179392 0.950305 N\n0.904099 0.466640 0.287380 N\n0.699381 0.310823 0.160311 N\n0.605504 0.154912 0.360162 N\n0.371575 0.110617 0.299533 N\n0.135890 0.261504 0.638615 N\n0.907915 0.103074 0.732057 N\n0.645121 0.154071 0.757640 N\n0.756660 0.842008 0.772728 N\n0.105997 0.248957 0.877326 N\n0.407762 0.357151 0.212163 N\n0.768028 0.555309 0.024300 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.388335575388051,
"density_atomic": 0.06312497129748489,
"volume": 1584.1591361481435,
"volume_molar": 9.540029304124124,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -563.4648252999999,
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"updated_at": "2021-11-28T01:35:41.441000Z",
"spacegroup": 1
},
{
"id": "mp-1521011",
"created_at": "2022-09-04T14:43:54.221921Z",
"structure_string": "Na1 Ca1 Y1 W1 O6\n1.0\n0.000000 -4.153276 -4.153276\n4.153276 -0.000000 -4.153276\n4.153276 -4.153276 0.000000\nNa Ca Y W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Y\n0.000000 -0.000000 -0.000000 W\n0.766297 0.233703 0.233703 O\n0.233703 0.766297 0.766297 O\n0.766297 0.233703 0.766297 O\n0.233703 0.766297 0.233703 O\n0.766297 0.766297 0.233703 O\n0.233703 0.233703 0.766297 O\n",
"nsites": 10,
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"elements": [
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"Y",
"W",
"O"
],
"chemical_system": "Ca-Na-O-W-Y",
"density": 5.004255087739423,
"density_atomic": 0.06979071166059728,
"volume": 143.2855427614996,
"volume_molar": 8.628857073827499,
"formula_full": "Na1 Ca1 Y1 W1 O6",
"formula_reduced": "NaCaYWO6",
"formula_anonymous": "ABCDE6",
"energy": -80.75127097999999,
"energy_per_atom": -8.075127098,
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"updated_at": "2021-11-28T01:36:23.314000Z",
"spacegroup": 216
},
{
"id": "mp-23650",
"created_at": "2022-09-04T14:43:58.714550Z",
"structure_string": "Te8 Se8 S8 N16 Cl16\n1.0\n8.188066 0.000000 0.000000\n0.000000 8.816189 0.000000\n0.000000 0.000000 20.990266\nTe Se S N Cl\n8 8 8 16 16\ndirect\n0.925419 0.608007 0.907287 Te\n0.425419 0.391993 0.592713 Te\n0.574581 0.108007 0.092713 Te\n0.074581 0.891993 0.407287 Te\n0.074581 0.391993 0.092713 Te\n0.574581 0.608007 0.407287 Te\n0.425419 0.891993 0.907287 Te\n0.925419 0.108007 0.592713 Te\n0.826227 0.501160 0.798146 Se\n0.326227 0.498840 0.701854 Se\n0.673773 0.001160 0.201854 Se\n0.173773 0.998840 0.298146 Se\n0.173773 0.498840 0.201854 Se\n0.673773 0.501160 0.298146 Se\n0.326227 0.998840 0.798146 Se\n0.826227 0.001160 0.701854 Se\n0.954029 0.759453 0.618675 S\n0.454029 0.240547 0.881325 S\n0.545971 0.259453 0.381325 S\n0.045971 0.740547 0.118675 S\n0.045971 0.240547 0.381325 S\n0.545971 0.759453 0.118675 S\n0.454029 0.740547 0.618675 S\n0.954029 0.259453 0.881325 S\n0.005498 0.108558 0.428099 N\n0.627105 0.804360 0.183451 N\n0.127105 0.195640 0.316549 N\n0.127105 0.695640 0.183451 N\n0.627105 0.304360 0.316549 N\n0.372895 0.195640 0.816549 N\n0.872895 0.804360 0.683451 N\n0.994502 0.391442 0.928099 N\n0.494502 0.608558 0.571901 N\n0.505498 0.891442 0.071901 N\n0.872895 0.304360 0.816549 N\n0.372895 0.695640 0.683451 N\n0.505498 0.391442 0.428099 N\n0.494502 0.108558 0.928099 N\n0.994502 0.891442 0.571901 N\n0.005498 0.608558 0.071901 N\n0.743100 0.856542 0.851315 Cl\n0.256900 0.643458 0.351315 Cl\n0.756900 0.356542 0.148685 Cl\n0.243100 0.143458 0.648685 Cl\n0.669852 0.565683 0.965734 Cl\n0.743100 0.356542 0.648685 Cl\n0.243100 0.643458 0.851315 Cl\n0.669852 0.065683 0.534266 Cl\n0.169852 0.934317 0.965734 Cl\n0.830148 0.565683 0.465734 Cl\n0.330148 0.434317 0.034266 Cl\n0.330148 0.934317 0.465734 Cl\n0.830148 0.065683 0.034266 Cl\n0.169852 0.434317 0.534266 Cl\n0.756900 0.856542 0.351315 Cl\n0.256900 0.143458 0.148685 Cl\n",
"nsites": 56,
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"elements": [
"Te",
"Se",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-S-Se-Te",
"density": 2.959305647266258,
"density_atomic": 0.036957948690901986,
"volume": 1515.2356119208973,
"volume_molar": 16.294575249200676,
"formula_full": "Te8 Se8 S8 N16 Cl16",
"formula_reduced": "TeSeS(NCl)2",
"formula_anonymous": "ABCD2E2",
"energy": -259.68787085,
"energy_per_atom": -4.637283408035715,
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"updated_at": "2021-11-28T01:36:11.500000Z",
"spacegroup": 61
},
{
"id": "mp-1272719",
"created_at": "2022-09-04T14:42:00.018772Z",
"structure_string": "Sr8 Ta4 Mn4 O24\n1.0\n7.874183 0.000142 0.000048\n0.000048 0.000136 7.874114\n3.936990 -8.383177 3.936963\nSr Ta Mn O\n8 4 4 24\ndirect\n0.125027 0.124959 0.249992 Sr\n0.874905 0.374983 0.750008 Sr\n0.375083 0.875021 0.750008 Sr\n0.624957 0.625106 0.249985 Sr\n0.375073 0.375019 0.749996 Sr\n0.125049 0.625087 0.249997 Sr\n0.624965 0.124946 0.249979 Sr\n0.874890 0.875027 0.750020 Sr\n0.499915 0.499862 0.000252 Ta\n0.249714 0.749552 0.500675 Ta\n0.750416 0.250299 0.499285 Ta\n0.000059 0.000052 0.999791 Ta\n0.249958 0.249792 0.500209 Mn\n0.000084 0.500016 0.999892 Mn\n0.499968 0.000042 0.999944 Mn\n0.750024 0.749977 0.499989 Mn\n0.249550 0.496323 0.500919 O\n0.000162 0.747065 0.999677 O\n0.499870 0.246680 0.000238 O\n0.750395 0.997193 0.499185 O\n0.118436 0.118448 0.763102 O\n0.868622 0.368677 0.262657 O\n0.367947 0.868009 0.264023 O\n0.618172 0.618221 0.763576 O\n0.003621 0.250412 0.499111 O\n0.752944 0.499876 0.000323 O\n0.253327 0.000188 0.999733 O\n0.502817 0.749604 0.500826 O\n0.249550 0.002608 0.500902 O\n0.000161 0.253258 0.999665 O\n0.499875 0.753165 0.000221 O\n0.750387 0.503561 0.499179 O\n0.381544 0.381591 0.236897 O\n0.131325 0.631384 0.737337 O\n0.632003 0.132064 0.735978 O\n0.881813 0.881833 0.236416 O\n0.497312 0.250414 0.499125 O\n0.246742 0.499876 0.000332 O\n0.746887 0.000187 0.999737 O\n0.996450 0.749621 0.500817 O\n",
"nsites": 40,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-O-Sr-Ta",
"density": 6.4803547412919915,
"density_atomic": 0.07695501956116835,
"volume": 519.7841573960703,
"volume_molar": 7.825533401642826,
"formula_full": "Sr8 Ta4 Mn4 O24",
"formula_reduced": "Sr2TaMnO6",
"formula_anonymous": "ABC2D6",
"energy": -340.4979898,
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