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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10239",
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"results": [
{
"id": "mp-753770",
"created_at": "2022-09-04T14:39:08.149686Z",
"structure_string": "Li4 Fe2 P2 C2 O14\n1.0\n5.063027 0.000000 0.000000\n-0.470397 6.325674 0.000000\n-0.452052 -0.938807 8.442402\nLi Fe P C O\n4 2 2 2 14\ndirect\n0.249611 0.965603 0.270253 Li\n0.357141 0.483192 0.283991 Li\n0.642859 0.516808 0.716009 Li\n0.750389 0.034397 0.729747 Li\n0.190059 0.748163 0.849864 Fe\n0.809941 0.251837 0.150136 Fe\n0.288479 0.257537 0.922415 P\n0.711521 0.742463 0.077585 P\n0.256900 0.751662 0.559611 C\n0.743100 0.248338 0.440389 C\n0.025610 0.719601 0.616245 O\n0.174928 0.326194 0.085755 O\n0.116512 0.059184 0.842320 O\n0.285559 0.441481 0.817362 O\n0.296997 0.748940 0.413671 O\n0.418527 0.800040 0.052603 O\n0.543472 0.214408 0.329110 O\n0.456528 0.785592 0.670890 O\n0.581473 0.199960 0.947397 O\n0.703003 0.251060 0.586329 O\n0.714441 0.558519 0.182638 O\n0.825072 0.673806 0.914245 O\n0.974390 0.280399 0.383755 O\n0.883488 0.940816 0.157680 O\n",
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],
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"formula_full": "Li4 Fe2 P2 C2 O14",
"formula_reduced": "Li2FePCO7",
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"energy": -178.21938942,
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"updated_at": "2021-11-28T01:34:27.112000Z",
"spacegroup": 2
},
{
"id": "mp-761161",
"created_at": "2022-09-04T14:39:48.296394Z",
"structure_string": "Li6 Mn2 F10\n1.0\n5.159616 0.000000 0.000000\n-2.327790 5.275950 0.000000\n-2.430066 -1.978971 7.208516\nLi Mn F\n6 2 10\ndirect\n0.685685 0.457490 0.913240 Li\n0.343615 0.968824 0.712344 Li\n0.941988 0.559933 0.301722 Li\n0.058012 0.440067 0.698278 Li\n0.656385 0.031176 0.287656 Li\n0.314315 0.542510 0.086760 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.963520 0.709982 0.543249 F\n0.756030 0.741493 0.136481 F\n0.627846 0.270425 0.672386 F\n0.864801 0.281014 0.068418 F\n0.438714 0.252730 0.241854 F\n0.135199 0.718986 0.931582 F\n0.372154 0.729575 0.327614 F\n0.243970 0.258507 0.863519 F\n0.036480 0.290018 0.456751 F\n0.561286 0.747270 0.758146 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.8899057042042213,
"density_atomic": 0.09172940709902175,
"volume": 196.22932894975577,
"volume_molar": 6.565114667643179,
"formula_full": "Li6 Mn2 F10",
"formula_reduced": "Li3MnF5",
"formula_anonymous": "AB3C5",
"energy": -103.80174468,
"energy_per_atom": -5.766763593333334,
"energy_above_hull": null,
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"energy_uncorrected": -95.84574468,
"band_gap": 3.9245,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.873000Z",
"spacegroup": 2
},
{
"id": "mp-746690",
"created_at": "2022-09-04T14:39:41.670228Z",
"structure_string": "Fe2 P6 H12 O18\n1.0\n3.236158 6.891657 0.000000\n-3.236158 6.891657 0.000000\n0.000000 2.699679 9.504749\nFe P H O\n2 6 12 18\ndirect\n0.296224 0.096922 0.356941 Fe\n0.096922 0.296224 0.856941 Fe\n0.611115 0.787756 0.935271 P\n0.787756 0.611115 0.435271 P\n0.136208 0.952441 0.680031 P\n0.952441 0.136208 0.180031 P\n0.388605 0.328967 0.553943 P\n0.328967 0.388605 0.053943 P\n0.722943 0.848807 0.982361 H\n0.848807 0.722943 0.482361 H\n0.343778 0.793188 0.738482 H\n0.793188 0.343778 0.238482 H\n0.603958 0.219503 0.595305 H\n0.219503 0.603958 0.095305 H\n0.404755 0.801463 0.137689 H\n0.801463 0.404755 0.637689 H\n0.722200 0.045234 0.221893 H\n0.045234 0.722200 0.721893 H\n0.671396 0.294847 0.957472 H\n0.294847 0.671396 0.457472 H\n0.411481 0.003241 0.859398 O\n0.003241 0.411481 0.359398 O\n0.596510 0.782819 0.341406 O\n0.782819 0.596510 0.841406 O\n0.523150 0.686785 0.068861 O\n0.686785 0.523150 0.568861 O\n0.179089 0.949646 0.519894 O\n0.949646 0.179089 0.019894 O\n0.188023 0.013591 0.226233 O\n0.013591 0.188023 0.726233 O\n0.874081 0.980841 0.247265 O\n0.980841 0.874081 0.747265 O\n0.435198 0.202808 0.180392 O\n0.202808 0.435198 0.680392 O\n0.528359 0.340878 0.931076 O\n0.340878 0.528359 0.431076 O\n0.410690 0.150898 0.491984 O\n0.150898 0.410690 0.991984 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
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"P",
"H",
"O"
],
"chemical_system": "Fe-H-O-P",
"density": 2.3407124148462475,
"density_atomic": 0.08963127553774808,
"volume": 423.95915680120333,
"volume_molar": 6.718793996704626,
"formula_full": "Fe2 P6 H12 O18",
"formula_reduced": "FeP3(H2O3)3",
"formula_anonymous": "AB3C6D9",
"energy": -245.12180839,
"energy_per_atom": -6.450573905000001,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:27.192000Z",
"spacegroup": 9
},
{
"id": "mp-1211087",
"created_at": "2022-09-04T14:43:13.060154Z",
"structure_string": "Li2 Cd2 Fe2 F12\n1.0\n-2.610018 -4.520684 0.000000\n-2.610018 4.520684 0.000000\n0.000000 0.000000 -9.704108\nLi Cd Fe F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.666667 0.333333 0.750000 Fe\n0.333333 0.666667 0.250000 Fe\n0.985914 0.346468 0.861389 F\n0.014086 0.653532 0.138611 F\n0.360554 0.014086 0.861389 F\n0.360554 0.346468 0.638611 F\n0.639446 0.985914 0.138611 F\n0.639446 0.653532 0.361389 F\n0.653532 0.639446 0.861389 F\n0.653532 0.014086 0.638611 F\n0.346468 0.360554 0.138611 F\n0.346468 0.985914 0.361389 F\n0.985914 0.639446 0.638611 F\n0.014086 0.360554 0.361389 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Cd",
"Fe",
"F"
],
"chemical_system": "Cd-F-Fe-Li",
"density": 4.193969025953722,
"density_atomic": 0.07860302051304248,
"volume": 228.99883341013958,
"volume_molar": 7.661462270398064,
"formula_full": "Li2 Cd2 Fe2 F12",
"formula_reduced": "LiCdFeF6",
"formula_anonymous": "ABCD6",
"energy": -94.68250029,
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"updated_at": "2021-11-28T01:36:01.750000Z",
"spacegroup": 163
},
{
"id": "mp-1101521",
"created_at": "2022-09-04T14:42:06.888391Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n4.813609 0.000000 0.000000\n-2.355050 7.682572 0.000000\n-0.046335 -2.759250 8.257986\nLi Fe P O\n2 2 4 14\ndirect\n0.129732 0.094583 0.448017 Li\n0.461570 0.092428 0.949649 Li\n0.623094 0.512347 0.051737 Fe\n0.390263 0.514723 0.553407 Fe\n0.228546 0.705548 0.297077 P\n0.770641 0.300344 0.690655 P\n0.034825 0.303066 0.188548 P\n0.972574 0.701761 0.794432 P\n0.449793 0.691745 0.171472 O\n0.819051 0.680599 0.944157 O\n0.286226 0.314074 0.077729 O\n0.759949 0.152098 0.119496 O\n0.151941 0.316875 0.359252 O\n0.338513 0.686738 0.454177 O\n0.951559 0.502367 0.212999 O\n0.754953 0.691589 0.659736 O\n0.527850 0.315307 0.582577 O\n0.256871 0.848512 0.825503 O\n0.893504 0.148673 0.618698 O\n0.051689 0.498984 0.716177 O\n0.672344 0.312350 0.861508 O\n0.093771 0.853807 0.316320 O\n",
"nsites": 22,
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"elements": [
"Li",
"Fe",
"P",
"O"
],
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"density": 2.574420939754347,
"density_atomic": 0.07203956620116411,
"volume": 305.3877356585817,
"volume_molar": 8.359490593243864,
"formula_full": "Li2 Fe2 P4 O14",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy": -164.95724611,
"energy_per_atom": -7.498056641363636,
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"updated_at": "2021-11-28T01:35:37.939000Z",
"spacegroup": 1
},
{
"id": "mp-690548",
"created_at": "2022-09-04T14:40:37.026913Z",
"structure_string": "Na2 Mg2 Fe2 S6 O24\n1.0\n4.302016 7.479323 0.000000\n-4.302016 7.479323 0.000000\n0.000000 4.974417 7.424701\nNa Mg Fe S O\n2 2 2 6 24\ndirect\n0.001288 0.500731 0.997110 Na\n0.500731 0.001288 0.497110 Na\n0.146051 0.651059 0.557607 Mg\n0.651059 0.146051 0.057607 Mg\n0.347830 0.852513 0.947292 Fe\n0.852513 0.347830 0.447292 Fe\n0.247854 0.457698 0.252056 S\n0.046367 0.952579 0.752911 S\n0.541347 0.749425 0.252634 S\n0.457698 0.247854 0.752056 S\n0.952579 0.046367 0.252911 S\n0.749425 0.541347 0.752634 S\n0.079653 0.435692 0.264235 O\n0.280498 0.619007 0.083399 O\n0.013385 0.110889 0.585040 O\n0.110889 0.013385 0.085040 O\n0.412257 0.282499 0.237780 O\n0.226814 0.935582 0.756207 O\n0.071196 0.775274 0.743191 O\n0.569120 0.914067 0.233004 O\n0.385442 0.713622 0.416145 O\n0.210995 0.496487 0.410203 O\n0.504457 0.783734 0.089504 O\n0.282499 0.412257 0.737780 O\n0.721073 0.581592 0.258549 O\n0.496487 0.210995 0.910203 O\n0.783734 0.504457 0.589504 O\n0.619007 0.280498 0.583399 O\n0.435692 0.079653 0.764235 O\n0.935582 0.226814 0.256207 O\n0.775274 0.071196 0.243191 O\n0.581592 0.721073 0.758549 O\n0.892106 0.989129 0.914616 O\n0.989129 0.892106 0.414616 O\n0.713622 0.385442 0.916145 O\n0.914067 0.569120 0.733004 O\n",
"nsites": 36,
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"elements": [
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],
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"density": 2.7200460939957507,
"density_atomic": 0.07534583080244879,
"volume": 477.7968417972501,
"volume_molar": 7.992666211073588,
"formula_full": "Na2 Mg2 Fe2 S6 O24",
"formula_reduced": "NaMgFe(SO4)3",
"formula_anonymous": "ABCD3E12",
"energy": -242.58875132,
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"updated_at": "2021-11-28T01:35:00.233000Z",
"spacegroup": 9
},
{
"id": "mp-757746",
"created_at": "2022-09-04T14:44:45.328498Z",
"structure_string": "Li10 Mn2 P6 O22\n1.0\n5.377985 0.000000 0.000000\n0.844645 8.532822 0.000000\n0.220446 0.903849 9.588709\nLi Mn P O\n10 2 6 22\ndirect\n0.778209 0.663033 0.661147 Li\n0.712668 0.378190 0.166960 Li\n0.680853 0.614661 0.320373 Li\n0.828244 0.379664 0.846504 Li\n0.488722 0.995562 0.159133 Li\n0.511278 0.004438 0.840867 Li\n0.171756 0.620336 0.153496 Li\n0.319147 0.385339 0.679627 Li\n0.287332 0.621810 0.833040 Li\n0.221791 0.336967 0.338853 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.962399 0.047284 0.688531 P\n0.777618 0.702311 0.984697 P\n0.730111 0.327636 0.521704 P\n0.269889 0.672364 0.478296 P\n0.222382 0.297689 0.015303 P\n0.037601 0.952716 0.311469 P\n0.048416 0.741570 0.940354 O\n0.947549 0.184539 0.559810 O\n0.871970 0.130666 0.817794 O\n0.792633 0.600284 0.127772 O\n0.819931 0.399736 0.381035 O\n0.762191 0.016052 0.307559 O\n0.772031 0.931337 0.662299 O\n0.713663 0.432227 0.642526 O\n0.659680 0.616852 0.870955 O\n0.630295 0.864891 0.005230 O\n0.521111 0.746208 0.483656 O\n0.478889 0.253792 0.516344 O\n0.369705 0.135109 0.994770 O\n0.340320 0.383148 0.129045 O\n0.286337 0.567773 0.357474 O\n0.227969 0.068663 0.337701 O\n0.237809 0.983948 0.692441 O\n0.180069 0.600264 0.618965 O\n0.207367 0.399716 0.872228 O\n0.128030 0.869334 0.182206 O\n0.052451 0.815461 0.440190 O\n0.951584 0.258430 0.059646 O\n",
"nsites": 40,
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"elements": [
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"O"
],
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"density": 2.70623665825986,
"density_atomic": 0.0909049599688866,
"volume": 440.019994659153,
"volume_molar": 6.62465586262967,
"formula_full": "Li10 Mn2 P6 O22",
"formula_reduced": "Li5MnP3O11",
"formula_anonymous": "AB3C5D11",
"energy": -284.80128189,
"energy_per_atom": -7.12003204725,
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"updated_at": "2021-11-28T01:36:42.905000Z",
"spacegroup": 2
},
{
"id": "mp-763740",
"created_at": "2022-09-04T14:47:02.549043Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n2.616148 -4.531301 0.000000\n2.616148 4.531301 0.000000\n0.000000 0.000000 9.339150\nLi Fe Si O\n2 2 2 8\ndirect\n0.000000 0.000000 0.198123 Li\n0.000000 0.000000 0.698123 Li\n0.333333 0.666667 0.135277 Fe\n0.666667 0.333333 0.635277 Fe\n0.333333 0.666667 0.765297 Si\n0.666667 0.333333 0.265297 Si\n0.029984 0.376544 0.704357 O\n0.346560 0.970016 0.704357 O\n0.333333 0.666667 0.938520 O\n0.376544 0.346560 0.204357 O\n0.623456 0.653440 0.704357 O\n0.666667 0.333333 0.438520 O\n0.653440 0.029984 0.204357 O\n0.970016 0.623456 0.204357 O\n",
"nsites": 14,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.3228507182276243,
"density_atomic": 0.06322742106803483,
"volume": 221.4229168849941,
"volume_molar": 9.52457123550868,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy": -106.20719456,
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"updated_at": "2021-11-28T01:37:54.955000Z",
"spacegroup": 173
},
{
"id": "mp-754274",
"created_at": "2022-09-04T14:40:58.437181Z",
"structure_string": "Mn2 V4 O12\n1.0\n-1.509484 1.361958 5.612324\n6.975457 0.000440 -0.102612\n-0.714697 6.941139 0.102098\nMn V O\n2 4 12\ndirect\n0.750520 0.090300 0.090695 Mn\n0.250546 0.909617 0.908825 Mn\n0.755120 0.212329 0.614785 V\n0.255083 0.385437 0.787870 V\n0.744712 0.614556 0.212216 V\n0.244702 0.787768 0.385150 V\n0.638601 0.047877 0.805639 O\n0.138568 0.194462 0.952240 O\n0.861645 0.805432 0.047737 O\n0.361547 0.952152 0.194307 O\n0.774984 0.095358 0.390775 O\n0.724820 0.390358 0.095512 O\n0.274980 0.609536 0.904742 O\n0.224744 0.904726 0.609227 O\n0.549453 0.367495 0.646634 O\n0.049524 0.353607 0.632692 O\n0.950157 0.646445 0.367485 O\n0.450293 0.632545 0.353470 O\n",
"nsites": 18,
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],
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"volume": 269.7918494167114,
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"formula_full": "Mn2 V4 O12",
"formula_reduced": "MnV2O6",
"formula_anonymous": "AB2C6",
"energy": -156.01758455,
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{
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{
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"structure_string": "Sr2 Pr2 Ni2 Ru2 O12\n1.0\n5.655540 0.000000 0.000000\n0.000000 5.577539 0.000000\n0.000000 5.567343 7.899062\nSr Pr Ni Ru O\n2 2 2 2 12\ndirect\n0.215842 0.245130 0.249509 Sr\n0.784158 0.245130 0.749509 Sr\n0.302322 0.761313 0.751650 Pr\n0.697678 0.761313 0.251650 Pr\n0.756098 0.500682 0.000800 Ni\n0.243902 0.500682 0.500800 Ni\n0.753317 0.000415 0.499716 Ru\n0.246683 0.000415 0.999716 Ru\n0.762281 0.332815 0.256041 O\n0.237719 0.332815 0.756041 O\n0.728667 0.689329 0.744423 O\n0.271333 0.689329 0.244423 O\n0.038457 0.151675 0.544331 O\n0.961543 0.151675 0.044331 O\n0.475962 0.825708 0.460481 O\n0.524038 0.825708 0.960481 O\n0.949813 0.757080 0.455339 O\n0.050187 0.757080 0.955339 O\n0.535292 0.235853 0.537711 O\n0.464708 0.235853 0.037711 O\n",
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"formula_full": "Sr2 Pr2 Ni2 Ru2 O12",
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}