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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=10260",
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"results": [
{
"id": "mp-561254",
"created_at": "2022-09-04T14:41:48.140668Z",
"structure_string": "Na8 Li24 Ge8 O32\n1.0\n-5.602840 5.602840 6.480019\n5.602840 -5.602840 6.480019\n5.602840 5.602840 -6.480019\nNa Li Ge O\n8 24 8 32\ndirect\n0.555900 0.018193 0.012142 Na\n0.194100 0.231807 0.487858 Na\n0.981807 0.993949 0.537707 Na\n0.006051 0.543758 0.987858 Na\n0.743949 0.706242 0.512142 Na\n0.293758 0.805900 0.037707 Na\n0.768193 0.256051 0.962293 Na\n0.456242 0.444100 0.462293 Na\n0.410079 0.587857 0.135620 Li\n0.447187 0.311265 0.147510 Li\n0.223529 0.090132 0.190708 Li\n0.850576 0.217179 0.690708 Li\n0.688735 0.836245 0.135922 Li\n0.909868 0.100576 0.133397 Li\n0.302813 0.938735 0.352490 Li\n0.725541 0.589921 0.177778 Li\n0.061265 0.413755 0.364078 Li\n0.339921 0.662143 0.364380 Li\n0.412143 0.547763 0.822222 Li\n0.967179 0.776471 0.866603 Li\n0.700323 0.552813 0.864078 Li\n0.452237 0.274459 0.864380 Li\n0.899424 0.032821 0.809292 Li\n0.049677 0.697187 0.635922 Li\n0.297763 0.975541 0.635620 Li\n0.163755 0.299677 0.852490 Li\n0.526471 0.159868 0.309292 Li\n0.024459 0.660079 0.322222 Li\n0.840132 0.149424 0.366603 Li\n0.337857 0.702237 0.677778 Li\n0.586245 0.950323 0.647510 Li\n0.782821 0.473529 0.633397 Li\n0.215676 0.004225 0.857238 Ge\n0.754225 0.396987 0.288548 Ge\n0.146987 0.358439 0.142762 Ge\n0.534324 0.245775 0.642762 Ge\n0.603013 0.891561 0.357238 Ge\n0.995775 0.853013 0.211452 Ge\n0.108439 0.465676 0.711452 Ge\n0.641561 0.784324 0.788548 Ge\n0.479511 0.727647 0.589704 O\n0.736163 0.659032 0.745808 O\n0.505388 0.105788 0.701406 O\n0.648976 0.380114 0.387852 O\n0.757738 0.988876 0.887852 O\n0.011124 0.898976 0.768862 O\n0.013837 0.590968 0.754192 O\n0.992262 0.261124 0.612148 O\n0.272353 0.862057 0.751864 O\n0.738876 0.351024 0.731138 O\n0.270489 0.522353 0.910296 O\n0.836776 0.259645 0.245808 O\n0.196018 0.494612 0.600400 O\n0.404382 0.803982 0.298594 O\n0.110193 0.520489 0.248136 O\n0.619886 0.007738 0.268862 O\n0.101024 0.869886 0.112148 O\n0.244612 0.144212 0.798594 O\n0.345618 0.446018 0.201406 O\n0.340968 0.086776 0.077131 O\n0.553982 0.755388 0.899600 O\n0.612057 0.360193 0.089704 O\n0.894212 0.595618 0.399600 O\n0.639807 0.729511 0.251864 O\n0.409032 0.163224 0.422869 O\n0.130114 0.242262 0.231138 O\n0.477647 0.387943 0.748136 O\n0.009645 0.263837 0.922869 O\n0.137943 0.889807 0.410296 O\n0.740355 0.986163 0.577131 O\n0.855788 0.654382 0.100400 O\n0.913224 0.990355 0.254192 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Na",
"Li",
"Ge",
"O"
],
"chemical_system": "Ge-Li-Na-O",
"density": 2.946077369060376,
"density_atomic": 0.08848706386652225,
"volume": 813.6782581983729,
"volume_molar": 6.805673616975313,
"formula_full": "Na8 Li24 Ge8 O32",
"formula_reduced": "NaLi3GeO4",
"formula_anonymous": "ABC3D4",
"energy": -412.65338721,
"energy_per_atom": -5.731297044583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -390.66938721,
"band_gap": 3.6355,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.744000Z",
"spacegroup": 88
},
{
"id": "mp-571170",
"created_at": "2022-09-04T14:41:59.406368Z",
"structure_string": "H64 Ru2 C16 N8 Cl14\n1.0\n8.849932 0.000000 0.000000\n0.000000 10.269514 0.000000\n0.000000 0.000000 12.931755\nH Ru C N Cl\n64 2 16 8 14\ndirect\n0.898881 0.029985 0.340895 H\n0.019582 0.760738 0.339931 H\n0.791991 0.116871 0.672757 H\n0.401150 0.152705 0.016533 H\n0.025241 0.863171 0.239617 H\n0.401150 0.847295 0.983467 H\n0.109869 0.413417 0.054615 H\n0.452607 0.662571 0.751978 H\n0.178362 0.982753 0.660847 H\n0.821638 0.517247 0.160847 H\n0.208009 0.383129 0.172757 H\n0.664130 0.301891 0.772175 H\n0.608953 0.426605 0.393495 H\n0.694248 0.730244 0.588353 H\n0.019582 0.239262 0.660069 H\n0.547648 0.676620 0.059475 H\n0.305752 0.769756 0.088353 H\n0.598850 0.652705 0.483467 H\n0.598850 0.347295 0.516533 H\n0.890131 0.913417 0.445385 H\n0.980418 0.739262 0.839931 H\n0.208009 0.616871 0.827243 H\n0.547393 0.837429 0.251978 H\n0.732245 0.639395 0.826502 H\n0.664130 0.698109 0.227825 H\n0.452352 0.176620 0.440525 H\n0.636111 0.177627 0.926366 H\n0.732245 0.360605 0.173498 H\n0.391047 0.073395 0.893495 H\n0.391047 0.926605 0.106505 H\n0.898881 0.970015 0.659105 H\n0.636111 0.822373 0.073634 H\n0.267755 0.139395 0.673498 H\n0.178362 0.017247 0.339153 H\n0.109869 0.586583 0.945385 H\n0.363889 0.677627 0.573634 H\n0.824693 0.401735 0.055942 H\n0.267755 0.860605 0.326502 H\n0.452607 0.337429 0.248022 H\n0.305752 0.230244 0.911647 H\n0.175307 0.098265 0.555942 H\n0.335870 0.801891 0.727825 H\n0.101119 0.529985 0.159105 H\n0.608953 0.573395 0.606505 H\n0.462625 0.679924 0.234776 H\n0.025241 0.136829 0.760383 H\n0.175307 0.901735 0.444058 H\n0.974759 0.363171 0.260383 H\n0.335870 0.198109 0.272175 H\n0.363889 0.322373 0.426366 H\n0.547648 0.323380 0.940525 H\n0.821638 0.482753 0.839153 H\n0.824693 0.598265 0.944058 H\n0.694248 0.269756 0.411647 H\n0.537375 0.820076 0.734776 H\n0.974759 0.636829 0.739617 H\n0.980418 0.260738 0.160069 H\n0.890131 0.086583 0.554615 H\n0.547393 0.162571 0.748022 H\n0.537375 0.179924 0.265224 H\n0.791991 0.883129 0.327243 H\n0.101119 0.470015 0.840895 H\n0.452352 0.823380 0.559475 H\n0.462625 0.320076 0.765224 H\n0.919561 0.000000 0.000000 Ru\n0.080439 0.500000 0.500000 Ru\n0.400851 0.167363 0.932800 C\n0.444804 0.244203 0.288948 C\n0.555196 0.744203 0.211052 C\n0.173000 0.085882 0.639931 C\n0.599149 0.332637 0.432800 C\n0.107309 0.426731 0.138485 C\n0.892691 0.073269 0.638485 C\n0.892691 0.926731 0.361515 C\n0.107309 0.573269 0.861515 C\n0.827000 0.414118 0.139931 C\n0.555196 0.255797 0.788948 C\n0.400851 0.832637 0.067200 C\n0.599149 0.667363 0.567200 C\n0.173000 0.914118 0.360069 C\n0.444804 0.755797 0.711052 C\n0.827000 0.585882 0.860069 C\n0.455948 0.267861 0.401995 N\n0.544052 0.767861 0.098005 N\n0.544052 0.232139 0.901995 N\n0.971263 0.640834 0.820178 N\n0.028737 0.140834 0.679822 N\n0.971263 0.359166 0.179822 N\n0.028737 0.859166 0.320178 N\n0.455948 0.732139 0.598005 N\n0.105804 0.924598 0.880129 Cl\n0.724949 0.074015 0.114295 Cl\n0.894196 0.575402 0.380129 Cl\n0.105804 0.075402 0.119871 Cl\n0.275051 0.574015 0.385705 Cl\n0.075187 0.290159 0.415689 Cl\n0.075187 0.709841 0.584311 Cl\n0.511614 0.000000 0.500000 Cl\n0.488386 0.500000 0.000000 Cl\n0.924813 0.790159 0.084311 Cl\n0.275051 0.425985 0.614295 Cl\n0.924813 0.209841 0.915689 Cl\n0.724949 0.925985 0.885705 Cl\n0.894196 0.424598 0.619871 Cl\n",
"nsites": 104,
"nelements": 5,
"elements": [
"H",
"Ru",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Ru",
"density": 1.5078346142043628,
"density_atomic": 0.08848833963481954,
"volume": 1175.2960947080164,
"volume_molar": 6.805575497124966,
"formula_full": "H64 Ru2 C16 N8 Cl14",
"formula_reduced": "H32RuC8N4Cl7",
"formula_anonymous": "AB4C7D8E32",
"energy": -522.99505376,
"energy_per_atom": -5.028798593846154,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -511.51105376,
"band_gap": 0.1525999999999999,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.846000Z",
"spacegroup": 18
},
{
"id": "mp-534863",
"created_at": "2022-09-04T14:46:51.876188Z",
"structure_string": "Ca4 Mg8 Ti4 Al8 Si4 O40\n1.0\n-9.021166 0.000000 0.000000\n4.072614 9.037557 0.000000\n-1.043241 -4.470618 -9.425473\nCa Mg Ti Al Si O\n4 8 4 8 4 40\ndirect\n0.603586 0.368053 0.578484 Ca\n0.630986 0.392580 0.051650 Ca\n0.374697 0.619562 0.958742 Ca\n0.396047 0.631339 0.419273 Ca\n0.944150 0.055786 0.654761 Mg\n0.945359 0.057854 0.151733 Mg\n0.734022 0.261042 0.254450 Mg\n0.498880 0.998456 0.006554 Mg\n0.177259 0.858199 0.539791 Mg\n0.148716 0.828524 0.057209 Mg\n0.050392 0.942827 0.846403 Mg\n0.063368 0.944890 0.347317 Mg\n0.846370 0.170144 0.955971 Ti\n0.820204 0.144102 0.459164 Ti\n0.259232 0.751012 0.755318 Ti\n0.011390 0.501215 0.491855 Ti\n0.952875 0.433171 0.796378 Al\n0.560223 0.051046 0.698075 Al\n0.653953 0.770923 0.744519 Al\n0.671716 0.768233 0.239715 Al\n0.230709 0.335145 0.554433 Al\n0.225695 0.340903 0.067270 Al\n0.432057 0.940243 0.304174 Al\n0.047410 0.567447 0.194617 Al\n0.775498 0.660766 0.930484 Si\n0.767243 0.660123 0.443558 Si\n0.334504 0.232658 0.763640 Si\n0.344856 0.233366 0.256283 Si\n0.955076 0.271804 0.826789 O\n0.941907 0.281945 0.348835 O\n0.877675 0.374377 0.615148 O\n0.723253 0.049932 0.584576 O\n0.863338 0.376679 0.122283 O\n0.739012 0.063851 0.074427 O\n0.937641 0.832317 0.981558 O\n0.805246 0.497810 0.898481 O\n0.628081 0.124365 0.881288 O\n0.933762 0.829060 0.489498 O\n0.790412 0.496993 0.432926 O\n0.625888 0.132383 0.382676 O\n0.834569 0.950738 0.790854 O\n0.682915 0.625811 0.785107 O\n0.497414 0.201395 0.701993 O\n0.841497 0.957170 0.292517 O\n0.507655 0.216006 0.177197 O\n0.677662 0.620034 0.292890 O\n0.626353 0.678323 0.556415 O\n0.642081 0.662487 0.051320 O\n0.370875 0.330520 0.938066 O\n0.381986 0.318458 0.431324 O\n0.331993 0.366247 0.709360 O\n0.472454 0.777112 0.821805 O\n0.167557 0.064914 0.717581 O\n0.496843 0.793842 0.306000 O\n0.321977 0.372104 0.221573 O\n0.172469 0.069026 0.211015 O\n0.385230 0.859944 0.628308 O\n0.210210 0.512399 0.564894 O\n0.044926 0.163173 0.517122 O\n0.380739 0.873542 0.120361 O\n0.200218 0.514518 0.096323 O\n0.049234 0.159554 0.012749 O\n0.262340 0.931948 0.908159 O\n0.142130 0.610073 0.853198 O\n0.278431 0.967133 0.415087 O\n0.113396 0.608176 0.375561 O\n0.063279 0.718703 0.659878 O\n0.020879 0.725522 0.183034 O\n",
"nsites": 68,
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],
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"density": 3.2724275607140942,
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"volume": 768.4522340638429,
"volume_molar": 6.805481648336659,
"formula_full": "Ca4 Mg8 Ti4 Al8 Si4 O40",
"formula_reduced": "CaMg2TiAl2SiO10",
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"energy": -531.93553032,
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"updated_at": "2021-11-28T01:38:23.661000Z",
"spacegroup": 1
},
{
"id": "mp-1245566",
"created_at": "2022-09-04T14:48:09.273975Z",
"structure_string": "Mn2 Al2 N4\n1.0\n5.455873 0.389903 -0.525757\n-2.129645 3.952308 0.000000\n-6.652456 -3.584583 4.833565\nMn Al N\n2 2 4\ndirect\n0.000000 0.500000 0.750000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.250000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.014519 0.125000 N\n0.500000 0.985481 0.625000 N\n0.470963 0.485481 0.360481 N\n0.529037 0.514519 0.889519 N\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.038490812055141,
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"volume": 90.40407541885705,
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"formula_full": "Mn2 Al2 N4",
"formula_reduced": "MnAlN2",
"formula_anonymous": "ABC2",
"energy": -65.60794377,
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"updated_at": "2021-11-28T01:38:32.221000Z",
"spacegroup": 122
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{
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{
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}