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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=10270",
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"results": [
{
"id": "mp-626024",
"created_at": "2022-09-04T14:44:17.025073Z",
"structure_string": "H8 Se4 O16\n1.0\n4.746222 0.000000 0.000000\n0.000000 8.462318 0.000000\n0.000000 0.080055 9.253590\nH Se O\n8 4 16\ndirect\n0.597667 0.026511 0.791450 H\n0.097667 0.973489 0.208550 H\n0.526454 0.713818 0.007882 H\n0.026454 0.286182 0.992118 H\n0.512848 0.781174 0.501136 H\n0.012848 0.218826 0.498864 H\n0.944919 0.524742 0.704266 H\n0.444919 0.475258 0.295734 H\n0.092449 0.718354 0.116970 Se\n0.592449 0.281646 0.883030 Se\n0.945646 0.780871 0.611158 Se\n0.445646 0.219129 0.388842 Se\n0.245163 0.634014 0.255866 O\n0.745163 0.365986 0.744134 O\n0.790232 0.866155 0.747220 O\n0.290232 0.133845 0.252780 O\n0.823586 0.628367 0.043288 O\n0.323586 0.371633 0.956712 O\n0.212040 0.871214 0.533928 O\n0.712040 0.128786 0.466072 O\n0.336708 0.764541 0.982757 O\n0.836708 0.235459 0.017243 O\n0.701391 0.728722 0.479025 O\n0.201391 0.271278 0.520975 O\n0.953746 0.901276 0.162921 O\n0.453746 0.098724 0.837079 O\n0.089908 0.600424 0.663227 O\n0.589908 0.399576 0.336773 O\n",
"nsites": 28,
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"elements": [
"H",
"Se",
"O"
],
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"density": 2.5908961765611345,
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"volume": 371.66155763211975,
"volume_molar": 7.993565054076704,
"formula_full": "H8 Se4 O16",
"formula_reduced": "H2SeO4",
"formula_anonymous": "AB2C4",
"energy": -151.16300400999998,
"energy_per_atom": -5.398678714642856,
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"updated_at": "2021-11-28T01:36:24.506000Z",
"spacegroup": 4
},
{
"id": "mp-1028728",
"created_at": "2022-09-04T14:44:15.761342Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n1.671576 -2.895255 0.000000\n1.671576 2.895255 0.000000\n0.000000 0.000000 38.160078\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.000000 0.000000 0.331777 Te\n0.000000 0.000000 0.231764 Te\n0.000000 0.000000 0.469703 Mo\n0.000000 0.000000 0.093910 W\n0.333333 0.666667 0.281751 W\n0.333333 0.666667 0.657544 W\n0.000000 0.000000 0.701487 Se\n0.333333 0.666667 0.425969 Se\n0.333333 0.666667 0.513417 Se\n0.000000 0.000000 0.613592 Se\n0.333333 0.666667 0.054044 S\n0.333333 0.666667 0.133789 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.766314085945183,
"density_atomic": 0.03248845428901526,
"volume": 369.36198605352996,
"volume_molar": 18.536248928395953,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy": -87.03281143000001,
"energy_per_atom": -7.252734285833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -84.13881143,
"band_gap": 3.4284,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.294000Z",
"spacegroup": 156
},
{
"id": "mp-7368",
"created_at": "2022-09-04T14:44:15.775651Z",
"structure_string": "Dy8 Se12\n1.0\n4.029047 0.000000 0.000000\n0.000000 11.000814 0.000000\n0.000000 0.000000 11.162090\nDy Se\n8 12\ndirect\n0.250000 0.998707 0.806277 Dy\n0.750000 0.001293 0.193723 Dy\n0.750000 0.498707 0.693723 Dy\n0.250000 0.501293 0.306277 Dy\n0.250000 0.187465 0.487153 Dy\n0.750000 0.812535 0.512847 Dy\n0.750000 0.687465 0.012847 Dy\n0.250000 0.312535 0.987153 Dy\n0.250000 0.304760 0.726330 Se\n0.750000 0.695240 0.273670 Se\n0.750000 0.804760 0.773670 Se\n0.250000 0.195240 0.226330 Se\n0.250000 0.944095 0.381224 Se\n0.750000 0.055905 0.618776 Se\n0.750000 0.444095 0.118776 Se\n0.250000 0.555905 0.881224 Se\n0.250000 0.874571 0.044456 Se\n0.750000 0.125429 0.955544 Se\n0.750000 0.374571 0.455544 Se\n0.250000 0.625429 0.544456 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Dy",
"Se"
],
"chemical_system": "Dy-Se",
"density": 7.543623196320235,
"density_atomic": 0.04042567874309531,
"volume": 494.7350451949058,
"volume_molar": 14.896820405343421,
"formula_full": "Dy8 Se12",
"formula_reduced": "Dy2Se3",
"formula_anonymous": "A2B3",
"energy": -121.66452728,
"energy_per_atom": -6.083226364,
"energy_above_hull": null,
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"energy_uncorrected": -116.00052728,
"band_gap": 0.3663000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.511000Z",
"spacegroup": 62
},
{
"id": "mp-19860",
"created_at": "2022-09-04T14:44:15.776521Z",
"structure_string": "Ce2 Ti2 Ge2\n1.0\n4.062421 0.000000 0.000000\n0.000000 4.062421 0.000000\n0.000000 0.000000 7.845132\nCe Ti Ge\n2 2 2\ndirect\n0.000000 0.500000 0.354506 Ce\n0.500000 0.000000 0.645494 Ce\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.230865 Ge\n0.000000 0.500000 0.769135 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ti",
"Ge"
],
"chemical_system": "Ce-Ge-Ti",
"density": 6.685312615046071,
"density_atomic": 0.04634267920289931,
"volume": 129.47028750173394,
"volume_molar": 12.994804926218508,
"formula_full": "Ce2 Ti2 Ge2",
"formula_reduced": "CeTiGe",
"formula_anonymous": "ABC",
"energy": -40.36063356,
"energy_per_atom": -6.72677226,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -40.36063356,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.8563863,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.319000Z",
"spacegroup": 129
},
{
"id": "mp-1016882",
"created_at": "2022-09-04T14:44:15.781875Z",
"structure_string": "Cd1 Os1 O3\n1.0\n3.942935 0.000000 0.000000\n0.000000 3.942935 0.000000\n0.000000 0.000000 3.942935\nCd Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cd",
"Os",
"O"
],
"chemical_system": "Cd-O-Os",
"density": 9.498405606100683,
"density_atomic": 0.08156637303427394,
"volume": 61.29977114342224,
"volume_molar": 7.383117007629497,
"formula_full": "Cd1 Os1 O3",
"formula_reduced": "CdOsO3",
"formula_anonymous": "ABC3",
"energy": -32.20624478,
"energy_per_atom": -6.441248956,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -30.14524478,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.027000Z",
"spacegroup": 221
},
{
"id": "mp-1099682",
"created_at": "2022-09-04T14:44:15.785570Z",
"structure_string": "Ba4 Sr28 Ti32 O80\n1.0\n-0.011455 0.011024 11.314798\n11.283031 -0.007520 -0.011503\n-5.644471 15.839322 -5.636832\nBa Sr Ti O\n4 28 32 80\ndirect\n0.308179 0.060962 0.122202 Ba\n0.307212 0.562850 0.122015 Ba\n0.808145 0.062830 0.121440 Ba\n0.058013 0.809144 0.121682 Ba\n0.304643 0.057613 0.612563 Sr\n0.305662 0.562558 0.615014 Sr\n0.804679 0.062521 0.614546 Sr\n0.805819 0.556411 0.113497 Sr\n0.805644 0.560898 0.614883 Sr\n0.191366 0.440922 0.385389 Sr\n0.191830 0.441634 0.886025 Sr\n0.189992 0.938123 0.382639 Sr\n0.189970 0.938298 0.884378 Sr\n0.690468 0.442402 0.384652 Sr\n0.689441 0.438190 0.883012 Sr\n0.689548 0.938766 0.382881 Sr\n0.689825 0.938936 0.884548 Sr\n0.054238 0.306392 0.114165 Sr\n0.055765 0.304718 0.613593 Sr\n0.056281 0.803711 0.616145 Sr\n0.555791 0.308354 0.114565 Sr\n0.556996 0.303087 0.614202 Sr\n0.556400 0.804155 0.116269 Sr\n0.555894 0.803189 0.614771 Sr\n0.438289 0.190533 0.384378 Sr\n0.441090 0.194729 0.884930 Sr\n0.440280 0.695216 0.384571 Sr\n0.440478 0.696901 0.884036 Sr\n0.941896 0.196375 0.384396 Sr\n0.939084 0.195602 0.882861 Sr\n0.942319 0.695236 0.387516 Sr\n0.941534 0.696650 0.885189 Sr\n0.996484 0.000083 0.997628 Ti\n0.997901 0.999477 0.499439 Ti\n0.995963 0.498013 0.997745 Ti\n0.998739 0.500614 0.500887 Ti\n0.496628 0.999901 0.998449 Ti\n0.498288 0.998866 0.499437 Ti\n0.498257 0.499920 0.998886 Ti\n0.498758 0.498759 0.500160 Ti\n0.247435 0.249367 0.998543 Ti\n0.248100 0.249931 0.499442 Ti\n0.248447 0.750256 0.998813 Ti\n0.248353 0.749914 0.500159 Ti\n0.746927 0.250207 0.998311 Ti\n0.749118 0.250699 0.499468 Ti\n0.745896 0.748040 0.997896 Ti\n0.749248 0.750963 0.500504 Ti\n0.118786 0.115845 0.252629 Ti\n0.114369 0.109579 0.749100 Ti\n0.119380 0.611707 0.251628 Ti\n0.113320 0.611112 0.749748 Ti\n0.624286 0.112062 0.252197 Ti\n0.617444 0.110154 0.748794 Ti\n0.620279 0.612238 0.251676 Ti\n0.612446 0.612910 0.749040 Ti\n0.369613 0.388043 0.252104 Ti\n0.365065 0.389325 0.749005 Ti\n0.373228 0.887959 0.253306 Ti\n0.366513 0.889394 0.749448 Ti\n0.869867 0.393494 0.251487 Ti\n0.861949 0.388992 0.749119 Ti\n0.869748 0.882534 0.251666 Ti\n0.866449 0.887299 0.749238 Ti\n0.118273 0.120662 0.491236 O\n0.118793 0.122712 0.992658 O\n0.120711 0.622843 0.495557 O\n0.119510 0.620889 0.993037 O\n0.619223 0.121987 0.491837 O\n0.618983 0.123839 0.994228 O\n0.618354 0.620648 0.490984 O\n0.619067 0.620477 0.992726 O\n0.121167 0.373771 0.001585 O\n0.126944 0.379045 0.507647 O\n0.122922 0.875803 0.000785 O\n0.126370 0.878289 0.506164 O\n0.623813 0.376974 0.003241 O\n0.626704 0.378096 0.505863 O\n0.621627 0.874596 0.003517 O\n0.627021 0.878384 0.506565 O\n0.368874 0.120785 0.492836 O\n0.369832 0.123140 0.992770 O\n0.370211 0.621204 0.494295 O\n0.371888 0.623084 0.993832 O\n0.869968 0.121753 0.493411 O\n0.869622 0.124274 0.992729 O\n0.870316 0.622326 0.495224 O\n0.867209 0.619731 0.991847 O\n0.375653 0.375660 0.002881 O\n0.377867 0.378588 0.509442 O\n0.374973 0.875859 0.002121 O\n0.376617 0.877145 0.506745 O\n0.871751 0.375842 0.000654 O\n0.877581 0.378608 0.507271 O\n0.871616 0.875958 0.000982 O\n0.878760 0.879580 0.510362 O\n0.062346 0.080559 0.130746 O\n0.065718 0.084593 0.630018 O\n0.054851 0.568078 0.128368 O\n0.062632 0.580277 0.629432 O\n0.562100 0.081870 0.131428 O\n0.561091 0.081012 0.628440 O\n0.567911 0.576582 0.130397 O\n0.564878 0.581205 0.628885 O\n0.428824 0.413621 0.371142 O\n0.431284 0.418938 0.868428 O\n0.433800 0.917945 0.373273 O\n0.432549 0.923630 0.870022 O\n0.933285 0.423821 0.372067 O\n0.932458 0.421329 0.868573 O\n0.929512 0.914136 0.371872 O\n0.930300 0.922562 0.869214 O\n0.312790 0.305593 0.129995 O\n0.310305 0.294035 0.630012 O\n0.316411 0.808727 0.130138 O\n0.310686 0.799433 0.629105 O\n0.813106 0.311104 0.128707 O\n0.811868 0.299196 0.628475 O\n0.809667 0.796492 0.130015 O\n0.808239 0.796509 0.629188 O\n0.184430 0.207783 0.372793 O\n0.182016 0.200554 0.867995 O\n0.182075 0.698664 0.372411 O\n0.183123 0.697283 0.869675 O\n0.688736 0.207229 0.370583 O\n0.677941 0.198628 0.868891 O\n0.690962 0.702967 0.371492 O\n0.679812 0.697919 0.868888 O\n0.499798 0.007215 0.258538 O\n0.471024 0.020625 0.747543 O\n0.490684 0.510587 0.257876 O\n0.472840 0.516808 0.747197 O\n0.997779 0.003003 0.257132 O\n0.972745 0.016281 0.747187 O\n0.974715 0.524856 0.253335 O\n0.972531 0.519003 0.748415 O\n0.232715 0.490381 0.252564 O\n0.223002 0.479229 0.748571 O\n0.249193 0.005316 0.257897 O\n0.222257 0.980349 0.749109 O\n0.723968 0.472775 0.251226 O\n0.722788 0.479598 0.748307 O\n0.741865 0.992936 0.251864 O\n0.722114 0.980643 0.748633 O\n",
"nsites": 144,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Ti",
"O"
],
"chemical_system": "Ba-O-Sr-Ti",
"density": 4.774139524695182,
"density_atomic": 0.0712043104614063,
"volume": 2022.349476694251,
"volume_molar": 8.457550843447999,
"formula_full": "Ba4 Sr28 Ti32 O80",
"formula_reduced": "BaSr7Ti8O20",
"formula_anonymous": "AB7C8D20",
"energy": -1172.42859139,
"energy_per_atom": -8.141865217986112,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -1117.46859139,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:33.671000Z",
"spacegroup": 1
},
{
"id": "mp-757421",
"created_at": "2022-09-04T14:44:15.797826Z",
"structure_string": "Li4 Cr6 Si6 O20\n1.0\n2.441735 8.212860 0.000000\n-2.441735 8.212860 0.000000\n0.000000 0.588373 10.346862\nLi Cr Si O\n4 6 6 20\ndirect\n0.270528 0.834703 0.527311 Li\n0.834703 0.270528 0.027311 Li\n0.165297 0.729472 0.972689 Li\n0.729472 0.165297 0.472689 Li\n0.379471 0.923771 0.787946 Cr\n0.923771 0.379471 0.287946 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.076229 0.620529 0.712054 Cr\n0.620529 0.076229 0.212054 Cr\n0.850600 0.451236 0.600815 Si\n0.451236 0.850600 0.100815 Si\n0.548764 0.149400 0.899185 Si\n0.149400 0.548764 0.399185 Si\n0.821675 0.178325 0.750000 Si\n0.178325 0.821675 0.250000 Si\n0.045103 0.049194 0.855305 O\n0.664106 0.450362 0.659573 O\n0.049194 0.045103 0.355305 O\n0.450362 0.664106 0.159573 O\n0.188512 0.115456 0.602165 O\n0.607199 0.708831 0.956947 O\n0.115456 0.188512 0.102165 O\n0.708831 0.607199 0.456947 O\n0.762917 0.670524 0.686852 O\n0.670524 0.762917 0.186852 O\n0.329476 0.237083 0.813148 O\n0.237083 0.329476 0.313148 O\n0.291169 0.392801 0.543053 O\n0.884544 0.811488 0.897835 O\n0.392801 0.291169 0.043053 O\n0.811488 0.884544 0.397835 O\n0.549638 0.335894 0.840427 O\n0.950806 0.954897 0.644695 O\n0.335894 0.549638 0.340427 O\n0.954897 0.950806 0.144695 O\n",
"nsites": 36,
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"elements": [
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"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 3.314168131021145,
"density_atomic": 0.08675028298405385,
"volume": 414.9842370729488,
"volume_molar": 6.941926357873634,
"formula_full": "Li4 Cr6 Si6 O20",
"formula_reduced": "Li2Cr3Si3O10",
"formula_anonymous": "A2B3C3D10",
"energy": -293.11672502,
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"updated_at": "2021-11-28T01:36:27.081000Z",
"spacegroup": 15
},
{
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