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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=162",
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"results": [
{
"id": "mp-1304966",
"created_at": "2022-09-04T14:40:33.086894Z",
"structure_string": "Li1 V1 P3 H1 O10\n1.0\n4.685743 4.406105 0.103924\n-4.741637 4.470023 -0.067656\n-2.605052 0.042746 5.804617\nLi V P H O\n1 1 3 1 10\ndirect\n0.204116 0.200384 0.494871 Li\n0.653059 0.651487 0.002086 V\n0.187511 0.544602 0.106657 P\n0.553104 0.560825 0.499571 P\n0.553196 0.189807 0.901009 P\n0.238338 0.217957 0.973388 H\n0.331009 0.650231 0.951854 O\n0.652471 0.971010 0.967843 O\n0.591639 0.698730 0.657268 O\n0.300942 0.587034 0.360077 O\n0.294968 0.182679 0.850005 O\n0.182619 0.298480 0.165290 O\n0.569421 0.305135 0.640552 O\n0.698700 0.589708 0.346401 O\n0.969247 0.657609 0.027990 O\n0.652593 0.327254 0.055137 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.114795960668643,
"density_atomic": 0.06535145648083264,
"volume": 244.8300445253695,
"volume_molar": 9.215006190055266,
"formula_full": "Li1 V1 P3 H1 O10",
"formula_reduced": "LiVP3HO10",
"formula_anonymous": "ABCD3E10",
"energy": -120.29745183,
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"energy_uncorrected": -111.72745183,
"band_gap": 2.1957,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9986517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.334000Z",
"spacegroup": 1
},
{
"id": "mp-1329467",
"created_at": "2022-09-04T14:40:33.158342Z",
"structure_string": "Li16 Ti16 O32\n1.0\n7.763409 0.000000 0.000000\n-1.706695 8.573623 0.000000\n-0.001239 -4.443459 9.499877\nLi Ti O\n16 16 32\ndirect\n0.906861 0.008771 0.257466 Li\n0.766288 0.400148 0.755892 Li\n0.353422 0.222646 0.992150 Li\n0.508734 0.147420 0.511155 Li\n0.751667 0.080898 0.743967 Li\n0.847435 0.718758 0.499137 Li\n0.413292 0.510814 0.761227 Li\n0.498806 0.834430 0.499517 Li\n0.596914 0.477006 0.237504 Li\n0.163233 0.259535 0.519008 Li\n0.251377 0.585320 0.248563 Li\n0.243305 0.235014 0.245661 Li\n0.661381 0.757934 0.014108 Li\n0.094279 0.973692 0.741726 Li\n0.262826 0.895678 0.257063 Li\n0.008911 0.641627 0.012497 Li\n0.688667 0.106949 0.994295 Ti\n0.829525 0.044740 0.504752 Ti\n0.690001 0.447201 0.986942 Ti\n0.827099 0.377094 0.498819 Ti\n0.437847 0.196974 0.742980 Ti\n0.922052 0.345739 0.259171 Ti\n0.584007 0.129661 0.261042 Ti\n0.081459 0.285996 0.771480 Ti\n0.933547 0.695020 0.244994 Ti\n0.433551 0.853647 0.749864 Ti\n0.082206 0.628091 0.761682 Ti\n0.581769 0.785780 0.265294 Ti\n0.182054 0.602930 0.499390 Ti\n0.317071 0.534882 0.009717 Ti\n0.173075 0.937205 0.497582 Ti\n0.325503 0.876946 0.003083 Ti\n0.877710 0.189718 0.876105 O\n0.958630 0.168326 0.632653 O\n0.556677 0.321752 0.868114 O\n0.961500 0.504689 0.627471 O\n0.873866 0.543294 0.872338 O\n0.227943 0.093153 0.872666 O\n0.301754 0.064832 0.622192 O\n0.690619 0.263406 0.376292 O\n0.628172 0.285528 0.625379 O\n0.974524 0.839920 0.623184 O\n0.529285 0.636735 0.888892 O\n0.792148 0.222801 0.130665 O\n0.462780 0.006451 0.126162 O\n0.371882 0.041279 0.369652 O\n0.210429 0.413105 0.883279 O\n0.724887 0.593428 0.372720 O\n0.283717 0.387480 0.636796 O\n0.803142 0.564675 0.121796 O\n0.628060 0.946718 0.628792 O\n0.556295 0.972028 0.880066 O\n0.202158 0.759868 0.878229 O\n0.467499 0.338817 0.122293 O\n0.045915 0.141163 0.376624 O\n0.381666 0.696973 0.381583 O\n0.305007 0.721604 0.629652 O\n0.707650 0.911973 0.385486 O\n0.784798 0.889128 0.134833 O\n0.141010 0.442931 0.140191 O\n0.057666 0.471578 0.380641 O\n0.457457 0.668411 0.135417 O\n0.050721 0.818200 0.370605 O\n0.129257 0.786262 0.125840 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.6474386456646073,
"density_atomic": 0.10121506124057933,
"volume": 632.3169616810053,
"volume_molar": 5.949846481528969,
"formula_full": "Li16 Ti16 O32",
"formula_reduced": "LiTiO2",
"formula_anonymous": "ABC2",
"energy": -329.45343597,
"energy_per_atom": -5.14770993703125,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -307.46943597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.229000Z",
"spacegroup": 1
},
{
"id": "mp-932458",
"created_at": "2022-09-04T14:40:33.250915Z",
"structure_string": "Sm4 In21 Pd10\n1.0\n4.530761 0.000000 0.000000\n-2.265381 11.678251 0.000000\n-2.265381 -1.796170 14.359798\nSm In Pd\n4 21 10\ndirect\n0.086375 0.135128 0.675061 Sm\n0.707374 0.411947 0.165790 Sm\n0.285111 0.588053 0.834210 Sm\n0.896564 0.864872 0.324939 Sm\n0.672028 0.788443 0.867416 In\n0.316223 0.220118 0.132388 In\n0.402449 0.976748 0.203999 In\n0.236740 0.832459 0.702386 In\n0.888341 0.707910 0.504712 In\n0.303525 0.900307 0.495783 In\n0.060885 0.564420 0.299514 In\n0.771585 0.167541 0.297614 In\n0.579373 0.434384 0.404336 In\n0.699615 0.099693 0.504217 In\n0.924819 0.435580 0.700486 In\n0.495235 0.000000 0.000000 In\n0.452573 0.293551 0.794047 In\n0.695124 0.603387 0.002116 In\n0.575819 0.034480 0.798348 In\n0.100962 0.292090 0.495288 In\n0.292757 0.407382 0.000457 In\n0.540170 0.706449 0.205953 In\n0.922791 0.181071 0.949453 In\n0.417652 0.577075 0.594234 In\n0.058751 0.827552 0.053063 In\n0.822355 0.678839 0.689824 Pd\n0.256820 0.082859 0.385022 Pd\n0.734362 0.926346 0.615396 Pd\n0.523124 0.335171 0.606164 Pd\n0.128131 0.619840 0.113758 Pd\n0.909884 0.065939 0.111095 Pd\n0.859921 0.389748 0.887648 Pd\n0.456156 0.675792 0.394155 Pd\n0.086918 0.934061 0.888905 Pd\n0.191018 0.321161 0.310176 Pd\n",
"nsites": 35,
"nelements": 3,
"elements": [
"Sm",
"In",
"Pd"
],
"chemical_system": "In-Pd-Sm",
"density": 8.909906195829107,
"density_atomic": 0.04606496598787968,
"volume": 759.7965015150337,
"volume_molar": 13.073147088797388,
"formula_full": "Sm4 In21 Pd10",
"formula_reduced": "Sm4In21Pd10",
"formula_anonymous": "A4B10C21",
"energy": -109.38923275,
"energy_per_atom": -3.12540665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -109.38923275,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0049079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.856000Z",
"spacegroup": 1
},
{
"id": "mp-1099946",
"created_at": "2022-09-04T14:40:33.254295Z",
"structure_string": "Sr28 Ca4 Fe28 Co4 O80\n1.0\n0.006285 -0.002447 11.073954\n11.431692 0.009055 0.006426\n-5.706682 15.752313 -5.543279\nSr Ca Fe Co O\n28 4 28 4 80\ndirect\n0.305597 0.064192 0.609325 Sr\n0.306058 0.563582 0.609514 Sr\n0.806901 0.064104 0.609613 Sr\n0.807880 0.565280 0.108451 Sr\n0.806731 0.563798 0.609448 Sr\n0.195854 0.434341 0.388974 Sr\n0.195024 0.438967 0.892900 Sr\n0.196533 0.935612 0.387804 Sr\n0.197250 0.936632 0.893250 Sr\n0.695833 0.435765 0.389594 Sr\n0.703179 0.439729 0.893332 Sr\n0.694775 0.935455 0.389627 Sr\n0.699639 0.934557 0.893603 Sr\n0.055913 0.293350 0.109984 Sr\n0.056631 0.296162 0.609433 Sr\n0.056527 0.796166 0.609172 Sr\n0.557695 0.291124 0.109532 Sr\n0.555051 0.295761 0.608912 Sr\n0.558759 0.796567 0.109163 Sr\n0.555497 0.795999 0.609082 Sr\n0.445633 0.202070 0.386529 Sr\n0.447747 0.204326 0.892528 Sr\n0.445517 0.703181 0.387088 Sr\n0.452089 0.708522 0.893846 Sr\n0.944659 0.202278 0.387801 Sr\n0.949723 0.206778 0.893018 Sr\n0.945146 0.703863 0.388762 Sr\n0.946729 0.706339 0.894029 Sr\n0.296460 0.065588 0.105491 Ca\n0.297051 0.567243 0.105305 Ca\n0.797702 0.064573 0.105254 Ca\n0.048504 0.786693 0.105901 Ca\n0.003136 0.999531 0.498171 Fe\n0.003416 0.499551 0.499137 Fe\n0.503530 0.000450 0.500028 Fe\n0.506066 0.502487 0.002957 Fe\n0.503894 0.500391 0.499911 Fe\n0.256657 0.251828 0.004797 Fe\n0.252585 0.248525 0.497786 Fe\n0.256413 0.754067 0.006454 Fe\n0.253321 0.749594 0.498924 Fe\n0.756110 0.248444 0.001436 Fe\n0.753137 0.249639 0.499414 Fe\n0.753769 0.750169 0.500581 Fe\n0.104605 0.085791 0.246426 Fe\n0.108591 0.091837 0.751538 Fe\n0.110557 0.592487 0.250461 Fe\n0.108893 0.592361 0.751775 Fe\n0.605088 0.089037 0.248786 Fe\n0.608908 0.091286 0.751279 Fe\n0.603484 0.589290 0.246582 Fe\n0.608283 0.590501 0.749705 Fe\n0.356720 0.408359 0.246474 Fe\n0.358909 0.410173 0.751471 Fe\n0.350350 0.907236 0.244303 Fe\n0.357742 0.908929 0.748566 Fe\n0.857219 0.406807 0.248571 Fe\n0.857668 0.409021 0.748397 Fe\n0.858402 0.912943 0.248537 Fe\n0.857742 0.908751 0.749445 Fe\n0.008076 0.002231 0.007461 Co\n0.008774 0.503054 0.006029 Co\n0.506667 0.002427 0.004750 Co\n0.759329 0.755698 0.006172 Co\n0.124290 0.122516 0.491818 O\n0.125691 0.121433 0.994171 O\n0.123315 0.621314 0.490493 O\n0.125401 0.622091 0.996727 O\n0.622451 0.121555 0.491212 O\n0.625517 0.121335 0.993265 O\n0.622941 0.622061 0.490793 O\n0.624973 0.621529 0.992641 O\n0.135651 0.386500 0.014134 O\n0.132216 0.376913 0.507114 O\n0.134722 0.881333 0.015652 O\n0.131727 0.877922 0.507106 O\n0.633968 0.375811 0.009079 O\n0.630972 0.377777 0.507292 O\n0.633095 0.887400 0.012457 O\n0.630321 0.877679 0.506325 O\n0.373951 0.119582 0.491483 O\n0.376830 0.118216 0.994666 O\n0.373510 0.618612 0.490180 O\n0.373848 0.620681 0.993956 O\n0.873441 0.119119 0.490763 O\n0.876908 0.117659 0.995086 O\n0.873374 0.619404 0.490536 O\n0.884206 0.614443 0.994785 O\n0.382475 0.383749 0.012805 O\n0.380847 0.378483 0.505334 O\n0.383236 0.886479 0.013684 O\n0.382183 0.880466 0.506739 O\n0.887283 0.382836 0.010499 O\n0.881663 0.379717 0.506858 O\n0.891736 0.889041 0.018277 O\n0.881101 0.879692 0.506218 O\n0.102479 0.105803 0.146615 O\n0.081088 0.094809 0.640256 O\n0.094265 0.609056 0.146810 O\n0.081369 0.594723 0.639939 O\n0.602390 0.102836 0.147178 O\n0.581581 0.094112 0.639698 O\n0.587297 0.596320 0.139473 O\n0.578685 0.592598 0.637446 O\n0.442259 0.406340 0.357611 O\n0.441710 0.404194 0.860830 O\n0.436184 0.907796 0.356551 O\n0.442156 0.896881 0.853426 O\n0.940654 0.404087 0.359658 O\n0.942526 0.397026 0.853491 O\n0.943639 0.909690 0.360157 O\n0.942697 0.896585 0.854567 O\n0.332337 0.285050 0.139697 O\n0.331767 0.296161 0.640041 O\n0.335297 0.784749 0.139550 O\n0.329102 0.794975 0.636486 O\n0.832375 0.287900 0.140106 O\n0.829769 0.294870 0.636734 O\n0.842175 0.793163 0.144291 O\n0.828592 0.795487 0.636691 O\n0.189274 0.198467 0.359575 O\n0.192254 0.205459 0.862407 O\n0.192196 0.705939 0.361942 O\n0.192155 0.704915 0.862462 O\n0.685654 0.203230 0.360986 O\n0.694324 0.204630 0.861805 O\n0.685730 0.703400 0.358018 O\n0.695319 0.704816 0.856905 O\n0.425256 0.057182 0.239537 O\n0.435308 0.062587 0.750080 O\n0.426163 0.558920 0.240176 O\n0.435485 0.561625 0.751012 O\n0.926715 0.063910 0.241672 O\n0.935237 0.061566 0.750416 O\n0.937057 0.556876 0.248839 O\n0.935576 0.562193 0.750517 O\n0.186342 0.439875 0.249569 O\n0.185271 0.439859 0.750508 O\n0.173735 0.928013 0.241205 O\n0.184958 0.940072 0.750584 O\n0.685092 0.440306 0.249402 O\n0.684301 0.438176 0.749322 O\n0.685300 0.938397 0.250629 O\n0.684732 0.939535 0.750390 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.739618023736249,
"density_atomic": 0.07219618898138654,
"volume": 1994.5651153016645,
"volume_molar": 8.34135547175851,
"formula_full": "Sr28 Ca4 Fe28 Co4 O80",
"formula_reduced": "Sr7CaFe7CoO20",
"formula_anonymous": "ABC7D7E20",
"energy": -1053.95582541,
"energy_per_atom": -7.319137676458333,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -929.27582541,
"band_gap": 0.0,
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"total_magnetization": 144.0000004,
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"updated_at": "2021-11-28T01:34:55.772000Z",
"spacegroup": 1
},
{
"id": "mp-1174626",
"created_at": "2022-09-04T14:40:33.324333Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.150963 0.000000 0.000000\n-0.913733 7.573338 0.000000\n-2.455259 -3.506535 6.397154\nLi Mn Co O\n8 2 4 14\ndirect\n0.576253 0.215819 0.071209 Li\n0.006686 0.507510 0.504053 Li\n0.420501 0.777629 0.916207 Li\n0.859559 0.076740 0.362341 Li\n0.283195 0.355221 0.784648 Li\n0.713875 0.639946 0.223643 Li\n0.141586 0.923745 0.639934 Li\n0.569654 0.714646 0.572740 Li\n0.000875 0.999650 0.995645 Mn\n0.285543 0.859030 0.290309 Mn\n0.432360 0.298622 0.431434 Co\n0.841617 0.569673 0.847518 Co\n0.712446 0.141997 0.712207 Co\n0.150950 0.433103 0.148050 Co\n0.145320 0.173581 0.904916 O\n0.560863 0.451771 0.322894 O\n0.999849 0.757416 0.771251 O\n0.392437 0.024770 0.173306 O\n0.835517 0.316643 0.611436 O\n0.285945 0.618106 0.058292 O\n0.674282 0.907004 0.463484 O\n0.011438 0.241721 0.233703 O\n0.438261 0.526489 0.681607 O\n0.884867 0.828598 0.106517 O\n0.278234 0.096107 0.513128 O\n0.737328 0.384732 0.950714 O\n0.141888 0.681863 0.377798 O\n0.618674 0.977868 0.831018 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.159640516973861,
"density_atomic": 0.11220067132127728,
"volume": 249.5528740627971,
"volume_molar": 5.36729476667399,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -183.02312259,
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"updated_at": "2021-11-28T01:35:02.050000Z",
"spacegroup": 1
},
{
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"updated_at": "2021-11-28T01:34:55.773000Z",
"spacegroup": 1
}
]
}