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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=10137",
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"results": [
{
"id": "mp-1263751",
"created_at": "2022-09-04T14:41:07.214942Z",
"structure_string": "Li4 Fe4 Si12 O32\n1.0\n3.915886 6.724822 -0.085771\n-3.915886 6.724822 0.085771\n-6.455609 0.000000 13.057257\nLi Fe Si O\n4 4 12 32\ndirect\n0.298760 0.751589 0.621964 Li\n0.751589 0.298760 0.878036 Li\n0.248411 0.701240 0.121964 Li\n0.701240 0.248411 0.378036 Li\n0.240665 0.554684 0.833004 Fe\n0.445316 0.759335 0.333004 Fe\n0.554684 0.240665 0.666996 Fe\n0.759335 0.445316 0.166996 Fe\n0.456446 0.795562 0.836378 Si\n0.829247 0.863869 0.894262 Si\n0.165860 0.178019 0.886614 Si\n0.178019 0.165860 0.613386 Si\n0.863869 0.829247 0.605738 Si\n0.204438 0.543554 0.336378 Si\n0.795562 0.456446 0.663622 Si\n0.821981 0.834140 0.386614 Si\n0.136131 0.170753 0.394262 Si\n0.170753 0.136131 0.105738 Si\n0.834140 0.821981 0.113386 Si\n0.543554 0.204438 0.163622 Si\n0.048696 0.716731 0.881728 O\n0.290034 0.942585 0.880484 O\n0.119722 0.689309 0.684169 O\n0.342238 0.918510 0.708118 O\n0.494027 0.560702 0.865277 O\n0.303839 0.276700 0.884085 O\n0.685928 0.764963 0.879651 O\n0.057415 0.709966 0.380484 O\n0.283269 0.951304 0.381728 O\n0.764963 0.685928 0.620349 O\n0.276700 0.303839 0.615915 O\n0.310691 0.880278 0.184169 O\n0.081490 0.657762 0.208118 O\n0.560702 0.494027 0.634723 O\n0.148729 0.100116 0.513938 O\n0.851271 0.899884 0.486062 O\n0.439298 0.505973 0.365277 O\n0.689309 0.119722 0.815831 O\n0.918510 0.342238 0.791882 O\n0.235037 0.314072 0.379651 O\n0.723300 0.696161 0.384085 O\n0.716731 0.048696 0.618272 O\n0.942585 0.290034 0.619516 O\n0.696161 0.723300 0.115915 O\n0.314072 0.235037 0.120349 O\n0.505973 0.439298 0.134723 O\n0.100116 0.148729 0.986062 O\n0.899884 0.851271 0.013938 O\n0.880278 0.310691 0.315831 O\n0.657762 0.081490 0.291882 O\n0.709966 0.057415 0.119516 O\n0.951304 0.283269 0.118272 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.685574718900187,
"density_atomic": 0.07644327188452485,
"volume": 680.2429921962414,
"volume_molar": 7.877921250017977,
"formula_full": "Li4 Fe4 Si12 O32",
"formula_reduced": "LiFeSi3O8",
"formula_anonymous": "ABC3D8",
"energy": -412.67477937,
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"updated_at": "2021-11-28T01:35:11.256000Z",
"spacegroup": 15
},
{
"id": "mp-19328",
"created_at": "2022-09-04T14:39:23.994845Z",
"structure_string": "Na1 W1 O3\n1.0\n3.969588 0.000000 0.000000\n0.000000 3.969588 0.000000\n0.000000 0.000000 3.969588\nNa W O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"W",
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],
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"density": 6.764876751177076,
"density_atomic": 0.07993439681841817,
"volume": 62.5512945491811,
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"formula_full": "Na1 W1 O3",
"formula_reduced": "NaWO3",
"formula_anonymous": "ABC3",
"energy": -39.68041944,
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"updated_at": "2021-11-28T01:34:33.149000Z",
"spacegroup": 221
},
{
"id": "mp-505595",
"created_at": "2022-09-04T14:40:08.041769Z",
"structure_string": "Fe12 O16\n1.0\n3.012780 0.000000 -0.000318\n0.000000 10.056886 0.000000\n-0.001429 0.000000 10.461103\nFe O\n12 16\ndirect\n0.279186 0.377359 0.250758 Fe\n0.272077 0.124205 0.750055 Fe\n0.720814 0.877359 0.249242 Fe\n0.727923 0.624205 0.749945 Fe\n0.246396 0.121257 0.072899 Fe\n0.753604 0.621257 0.427101 Fe\n0.245705 0.381649 0.926686 Fe\n0.754295 0.881649 0.573314 Fe\n0.753153 0.880463 0.925961 Fe\n0.753951 0.619842 0.073265 Fe\n0.246847 0.380462 0.574039 Fe\n0.246049 0.119842 0.426735 Fe\n0.252887 0.186518 0.250753 O\n0.252945 0.312112 0.751242 O\n0.747113 0.686518 0.249247 O\n0.747055 0.812112 0.748758 O\n0.252802 0.487538 0.101607 O\n0.251852 0.010221 0.897435 O\n0.747198 0.987538 0.398393 O\n0.748148 0.510221 0.602565 O\n0.747457 0.511368 0.897560 O\n0.747713 0.989047 0.098853 O\n0.252543 0.011368 0.602440 O\n0.252287 0.489047 0.401147 O\n0.750002 0.249562 0.001210 O\n0.249998 0.749562 0.498790 O\n0.251756 0.748860 0.999232 O\n0.748244 0.248860 0.500768 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.8519109200236805,
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"volume": 316.9628905632049,
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"formula_full": "Fe12 O16",
"formula_reduced": "Fe3O4",
"formula_anonymous": "A3B4",
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"spacegroup": 57
},
{
"id": "mp-557604",
"created_at": "2022-09-04T14:42:16.634606Z",
"structure_string": "Al6 P6 O24\n1.0\n6.298707 -10.513173 0.000000\n6.298707 10.513173 0.000000\n-11.248832 0.000000 4.864597\nAl P O\n6 6 24\ndirect\n0.646408 0.943725 0.497708 Al\n0.353592 0.056275 0.502292 Al\n0.943725 0.497708 0.646408 Al\n0.497708 0.646408 0.943725 Al\n0.502292 0.353592 0.056275 Al\n0.056275 0.502292 0.353592 Al\n0.260251 0.404482 0.964246 P\n0.739749 0.595518 0.035754 P\n0.595518 0.035754 0.739749 P\n0.035754 0.739749 0.595518 P\n0.964246 0.260251 0.404482 P\n0.404482 0.964246 0.260251 P\n0.972308 0.305057 0.308468 O\n0.687067 0.950137 0.150776 O\n0.027692 0.694943 0.691532 O\n0.308468 0.972308 0.305057 O\n0.997435 0.404578 0.561234 O\n0.002565 0.595422 0.438766 O\n0.799535 0.619783 0.403311 O\n0.049863 0.849224 0.312933 O\n0.404578 0.561234 0.997435 O\n0.950137 0.150776 0.687067 O\n0.403311 0.799535 0.619783 O\n0.150776 0.687067 0.950137 O\n0.312933 0.049863 0.849224 O\n0.200465 0.380217 0.596689 O\n0.619783 0.403311 0.799535 O\n0.849224 0.312933 0.049863 O\n0.691532 0.027692 0.694943 O\n0.595422 0.438766 0.002565 O\n0.305057 0.308468 0.972308 O\n0.561234 0.997435 0.404578 O\n0.438766 0.002565 0.595422 O\n0.694943 0.691532 0.027692 O\n0.596689 0.200465 0.380217 O\n0.380217 0.596689 0.200465 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 1.8859509843073958,
"density_atomic": 0.05587794423260114,
"volume": 644.261353820464,
"volume_molar": 10.777312663708328,
"formula_full": "Al6 P6 O24",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
"energy": -285.70242391,
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"updated_at": "2021-11-28T01:35:45.353000Z",
"spacegroup": 148
},
{
"id": "mp-1219345",
"created_at": "2022-09-04T14:45:29.959151Z",
"structure_string": "Sm4 Fe31 Si3\n1.0\n4.223316 2.438631 4.117611\n-4.236989 2.443580 4.128765\n-0.005099 -9.757559 8.242295\nSm Fe Si\n4 31 3\ndirect\n0.660017 0.661503 0.330152 Sm\n0.658500 0.659996 0.830096 Sm\n0.342443 0.341829 0.171252 Sm\n0.342927 0.342701 0.671372 Sm\n0.294039 0.706081 0.499758 Fe\n0.292664 0.707157 0.000837 Fe\n0.707400 0.000702 0.146675 Fe\n0.706873 0.000122 0.645531 Fe\n0.999249 0.292513 0.352906 Fe\n0.998881 0.293066 0.852917 Fe\n0.292877 0.001248 0.353570 Fe\n0.292585 0.001371 0.853452 Fe\n0.998700 0.705629 0.147479 Fe\n0.999607 0.706449 0.646176 Fe\n0.707615 0.291728 0.000209 Fe\n0.705447 0.292905 0.499155 Fe\n0.000553 0.002077 0.249169 Fe\n0.000697 0.001890 0.747822 Fe\n0.001774 0.496179 0.500533 Fe\n0.000505 0.497715 0.001125 Fe\n0.498993 0.999876 0.000263 Fe\n0.496268 0.002580 0.500117 Fe\n0.903796 0.904091 0.451950 Fe\n0.904178 0.903860 0.951759 Fe\n0.094057 0.096156 0.048444 Fe\n0.094151 0.096851 0.546564 Fe\n0.341276 0.342481 0.922277 Fe\n0.340135 0.844697 0.172020 Fe\n0.341920 0.843664 0.669831 Fe\n0.157816 0.658453 0.330105 Fe\n0.157435 0.659006 0.829345 Fe\n0.657745 0.657549 0.078479 Fe\n0.660775 0.658705 0.578336 Fe\n0.659700 0.154930 0.330008 Fe\n0.657671 0.156021 0.828442 Fe\n0.845304 0.339437 0.170500 Si\n0.846472 0.339402 0.668505 Si\n0.338956 0.339382 0.422869 Si\n",
"nsites": 38,
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"elements": [
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"Fe",
"Si"
],
"chemical_system": "Fe-Si-Sm",
"density": 7.860052046872741,
"density_atomic": 0.07442224499092975,
"volume": 510.6000229451728,
"volume_molar": 8.091855816408055,
"formula_full": "Sm4 Fe31 Si3",
"formula_reduced": "Sm4Fe31Si3",
"formula_anonymous": "A3B4C31",
"energy": -301.57672141,
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"updated_at": "2021-11-28T01:36:58.276000Z",
"spacegroup": 1
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{
"id": "mp-1227399",
"created_at": "2022-09-04T14:39:45.872255Z",
"structure_string": "Ca4 Mg2 Fe2 Si8 O24\n1.0\n-0.015198 -0.002289 5.331073\n-9.546126 -0.014253 -2.649677\n-0.014711 -9.094502 0.003797\nCa Mg Fe Si O\n4 2 2 8 24\ndirect\n0.250545 0.499433 0.796729 Ca\n0.747100 0.000479 0.296704 Ca\n0.749850 0.499776 0.199940 Ca\n0.250287 0.000215 0.700412 Ca\n0.249782 0.500190 0.407398 Mg\n0.750398 0.999593 0.907471 Mg\n0.249527 0.999499 0.093405 Fe\n0.750062 0.500147 0.592650 Fe\n0.447065 0.711778 0.093032 Si\n0.946942 0.212096 0.593449 Si\n0.052885 0.287773 0.093675 Si\n0.552893 0.788096 0.592938 Si\n0.553689 0.286044 0.909376 Si\n0.054603 0.786896 0.407676 Si\n0.945377 0.712986 0.907535 Si\n0.446914 0.214318 0.408882 Si\n0.458244 0.635276 0.247819 O\n0.957664 0.135381 0.748187 O\n0.042161 0.364390 0.247920 O\n0.541398 0.864494 0.747285 O\n0.538710 0.361313 0.754513 O\n0.041937 0.863689 0.252886 O\n0.959139 0.636212 0.753583 O\n0.464209 0.140038 0.254263 O\n0.536726 0.881298 0.087717 O\n0.035529 0.381675 0.587147 O\n0.964941 0.118209 0.087349 O\n0.464044 0.618601 0.587686 O\n0.473770 0.115849 0.912175 O\n0.975916 0.617183 0.407920 O\n0.022481 0.882503 0.906999 O\n0.525716 0.384306 0.410490 O\n0.149804 0.651846 0.017363 O\n0.649101 0.151574 0.518805 O\n0.350485 0.348566 0.018172 O\n0.850063 0.848476 0.516430 O\n0.850682 0.350948 0.983672 O\n0.350774 0.851513 0.483004 O\n0.648967 0.648177 0.983560 O\n0.149620 0.149162 0.483781 O\n",
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"volume": 463.19410590599955,
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"formula_full": "Ca4 Mg2 Fe2 Si8 O24",
"formula_reduced": "Ca2MgFe(SiO3)4",
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{
"id": "mp-1358135",
"created_at": "2022-09-04T14:46:13.863147Z",
"structure_string": "V4 Zn1 P6 O24\n1.0\n6.246281 0.000000 0.000000\n-1.579183 8.077830 0.000000\n-2.688899 -3.723442 8.273164\nV Zn P O\n4 1 6 24\ndirect\n0.376329 0.478473 0.118825 V\n0.944370 0.282433 0.478292 V\n0.623671 0.521527 0.881175 V\n0.055630 0.717567 0.521708 V\n0.000000 0.000000 0.000000 Zn\n0.783600 0.839319 0.239479 P\n0.216400 0.160681 0.760521 P\n0.618085 0.759368 0.652715 P\n0.381915 0.240632 0.347285 P\n0.891488 0.393480 0.163665 P\n0.108512 0.606520 0.836335 P\n0.744526 0.947889 0.783268 O\n0.255474 0.052111 0.216732 O\n0.145742 0.805371 0.910870 O\n0.854258 0.194629 0.089130 O\n0.199825 0.962459 0.699374 O\n0.800175 0.037541 0.300626 O\n0.366589 0.731096 0.533945 O\n0.633411 0.268904 0.466055 O\n0.077911 0.544523 0.652808 O\n0.922089 0.455477 0.347192 O\n0.763735 0.705441 0.543247 O\n0.236265 0.294559 0.456753 O\n0.984160 0.804287 0.353071 O\n0.675415 0.448829 0.080579 O\n0.324585 0.551171 0.919421 O\n0.545964 0.723983 0.234379 O\n0.454036 0.276017 0.765621 O\n0.102100 0.513949 0.152311 O\n0.015840 0.195713 0.646929 O\n0.425036 0.379533 0.272484 O\n0.574964 0.620467 0.727516 O\n0.220281 0.227799 0.938122 O\n0.779719 0.772201 0.061878 O\n0.897900 0.486051 0.847689 O\n",
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"formula_full": "V4 Zn1 P6 O24",
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{
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"structure_string": "Sm2 Fe15 Co2\n1.0\n4.254374 4.837793 0.000000\n-4.254374 4.837793 0.000000\n0.000000 1.127306 6.324824\nSm Fe Co\n2 15 2\ndirect\n0.341344 0.341344 0.342281 Sm\n0.658796 0.658796 0.658373 Sm\n0.998950 0.705688 0.293462 Fe\n0.710700 0.290406 0.999988 Fe\n0.292315 0.001057 0.706809 Fe\n0.290406 0.710700 0.999988 Fe\n0.705688 0.998950 0.293462 Fe\n0.001057 0.292315 0.706809 Fe\n0.498972 0.001411 0.000087 Fe\n0.999595 0.999595 0.500363 Fe\n0.001411 0.498972 0.000087 Fe\n0.095589 0.095589 0.096488 Fe\n0.903617 0.903617 0.905255 Fe\n0.658137 0.658137 0.153965 Fe\n0.341280 0.841242 0.342301 Fe\n0.841242 0.341280 0.342301 Fe\n0.343665 0.343665 0.838982 Fe\n0.661065 0.156171 0.659498 Co\n0.156171 0.661065 0.659498 Co\n",
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"formula_full": "Sm2 Fe15 Co2",
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