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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=440",
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"results": [
{
"id": "jvasp-23052",
"created_at": "2022-09-04T14:38:30.803134Z",
"updated_at": "2022-09-04T14:38:30.803159Z",
"structure_string": "Li6 Ga6 Si6 O24\n1.0\n8.088988 -0.000969 -2.604338\n-3.574221 7.256490 -2.604339\n-0.000603 -0.000969 8.497899\nLi Ga Si O\n6 6 6 24\ndirect\n0.210049 0.434551 0.607161 Li\n0.724755 0.126792 0.893393 Li\n0.126793 0.893393 0.724755 Li\n0.893394 0.724755 0.126792 Li\n0.434552 0.607161 0.210048 Li\n0.607161 0.210048 0.434552 Li\n0.768603 0.944624 0.534143 Ga\n0.459453 0.234184 0.054070 Ga\n0.054070 0.459452 0.234184 Ga\n0.234184 0.054070 0.459452 Ga\n0.944625 0.534143 0.768602 Ga\n0.534144 0.768602 0.944624 Ga\n0.796388 0.567200 0.387829 Si\n0.387830 0.796387 0.567200 Si\n0.567200 0.387829 0.796387 Si\n0.097609 0.280879 0.873459 Si\n0.873459 0.097609 0.280879 Si\n0.280879 0.873459 0.097609 Si\n0.989196 0.975469 0.308444 O\n0.702762 0.376741 0.694441 O\n0.354823 0.299386 0.633884 O\n0.633884 0.354823 0.299386 O\n0.006946 0.060707 0.727165 O\n0.580495 0.262308 0.909738 O\n0.262309 0.909738 0.580495 O\n0.909738 0.580494 0.262308 O\n0.404975 0.758348 0.085323 O\n0.758348 0.085324 0.404975 O\n0.085324 0.404975 0.758348 O\n0.021514 0.310705 0.353853 O\n0.310705 0.353853 0.021513 O\n0.353853 0.021514 0.310705 O\n0.060707 0.727165 0.006945 O\n0.636536 0.603389 0.939313 O\n0.603390 0.939313 0.636535 O\n0.376742 0.694441 0.702762 O\n0.694442 0.702762 0.376741 O\n0.299386 0.633884 0.354823 O\n0.308445 0.989195 0.975469 O\n0.975470 0.308444 0.989195 O\n0.727165 0.006945 0.060707 O\n0.939313 0.636535 0.603389 O\n",
"nsites": 42,
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"elements": [
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"O"
],
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"density": 3.371052280796621,
"density_atomic": 0.08421280096608659,
"volume": 498.7365283920892,
"volume_molar": 7.151098990787852,
"formula_full": "Li6 Ga6 Si6 O24",
"formula_reduced": "LiGaSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.7628407035714289,
"spacegroup": 146
},
{
"id": "jvasp-95549",
"created_at": "2022-09-04T14:35:48.521011Z",
"updated_at": "2022-09-04T14:35:48.521041Z",
"structure_string": "Li4 Ga4 Si8 O24\n1.0\n5.150852 0.000000 -1.123759\n0.000000 8.671083 0.000000\n-0.002998 0.000000 9.243300\nLi Ga Si O\n4 4 8 24\ndirect\n0.019185 0.004738 0.249041 Li\n0.480815 0.504738 0.750959 Li\n0.980815 0.995262 0.750959 Li\n0.519184 0.495262 0.249041 Li\n0.521243 0.850337 0.250181 Ga\n0.021243 0.649663 0.250181 Ga\n0.978756 0.350337 0.749819 Ga\n0.478756 0.149663 0.749819 Ga\n0.769415 0.340652 0.049120 Si\n0.730584 0.840652 0.950880 Si\n0.269415 0.159348 0.049120 Si\n0.305711 0.839192 0.551077 Si\n0.194289 0.339192 0.448923 Si\n0.694289 0.160808 0.448923 Si\n0.805711 0.660808 0.551077 Si\n0.230585 0.659348 0.950880 Si\n0.699504 0.332286 0.865303 O\n0.304820 0.987271 0.115257 O\n0.199504 0.167714 0.865303 O\n0.804820 0.512728 0.115257 O\n0.740711 0.997780 0.374128 O\n0.240711 0.502219 0.374128 O\n0.259289 0.002220 0.625872 O\n0.021718 0.229361 0.110707 O\n0.759288 0.497780 0.625872 O\n0.978281 0.770638 0.889293 O\n0.478281 0.729361 0.889293 O\n0.300496 0.667714 0.134697 O\n0.887897 0.287801 0.394795 O\n0.387897 0.212199 0.394795 O\n0.112103 0.712198 0.605205 O\n0.695179 0.012728 0.884743 O\n0.195179 0.487271 0.884743 O\n0.521718 0.270639 0.110707 O\n0.240649 0.833464 0.366529 O\n0.259350 0.333464 0.633470 O\n0.759350 0.166536 0.633470 O\n0.740649 0.666536 0.366529 O\n0.800495 0.832286 0.134697 O\n0.612103 0.787801 0.605205 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Ga",
"Si",
"O"
],
"chemical_system": "Ga-Li-O-Si",
"density": 3.681933797795274,
"density_atomic": 0.09689720731939357,
"volume": 412.80859486642987,
"volume_molar": 6.214978663058636,
"formula_full": "Li4 Ga4 Si8 O24",
"formula_reduced": "LiGa(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.2500760525000003,
"spacegroup": 14
},
{
"id": "jvasp-10498",
"created_at": "2022-09-04T14:36:49.161253Z",
"updated_at": "2022-09-04T14:36:49.161283Z",
"structure_string": "Li2 Ga2 Pd2 F12\n1.0\n2.556874 -4.428636 0.000000\n2.556874 4.428636 -0.000000\n-0.000000 -0.000000 9.235972\nLi Ga Pd F\n2 2 2 12\ndirect\n0.666666 0.333332 0.750000 Li\n0.333332 0.666666 0.250000 Li\n0.333332 0.666666 0.750000 Ga\n0.666666 0.333332 0.250000 Ga\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.011721 0.360987 0.864618 F\n0.360987 0.011721 0.364618 F\n0.349264 0.988277 0.864618 F\n0.349265 0.360987 0.635382 F\n0.639011 0.988277 0.635382 F\n0.650734 0.011721 0.135382 F\n0.360987 0.349265 0.135382 F\n0.988277 0.349264 0.364618 F\n0.988277 0.639011 0.135382 F\n0.011721 0.650734 0.635382 F\n0.639011 0.650733 0.864618 F\n0.650733 0.639011 0.364618 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Ga",
"Pd",
"F"
],
"chemical_system": "F-Ga-Li-Pd",
"density": 4.7168539966665755,
"density_atomic": 0.0860558876753665,
"volume": 209.16639739865818,
"volume_molar": 6.997941596648985,
"formula_full": "Li2 Ga2 Pd2 F12",
"formula_reduced": "LiGaPdF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 163
},
{
"id": "jvasp-57362",
"created_at": "2022-09-04T14:37:44.293704Z",
"updated_at": "2022-09-04T14:37:44.293728Z",
"structure_string": "Li2 Ga2 Mo4 O16\n1.0\n6.765386 -0.037497 0.035397\n-1.851125 6.912893 0.005432\n-2.572342 -0.813642 6.763288\nLi Ga Mo O\n2 2 4 16\ndirect\n0.227977 0.552478 0.748058 Li\n0.772025 0.447522 0.251943 Li\n0.401528 0.099438 0.318931 Ga\n0.598474 0.900561 0.681069 Ga\n0.822239 0.963956 0.220413 Mo\n0.177763 0.036043 0.779587 Mo\n0.668798 0.425140 0.711419 Mo\n0.331204 0.574859 0.288581 Mo\n0.314645 0.869079 0.728730 O\n0.908946 0.519146 0.667928 O\n0.091055 0.480854 0.332072 O\n0.885956 0.950489 0.645900 O\n0.519155 0.617204 0.651401 O\n0.114047 0.049511 0.354101 O\n0.480847 0.382796 0.348599 O\n0.685356 0.130921 0.271270 O\n0.284380 0.276083 0.738946 O\n0.582579 0.159164 0.613919 O\n0.417423 0.840836 0.386081 O\n0.251849 0.572150 0.036915 O\n0.765448 0.957231 0.963152 O\n0.234553 0.042769 0.036848 O\n0.715621 0.723915 0.261055 O\n0.748153 0.427850 0.963085 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mo",
"O"
],
"chemical_system": "Ga-Li-Mo-O",
"density": 4.160259394127857,
"density_atomic": 0.07581697147179887,
"volume": 316.55181596019196,
"volume_molar": 7.94299830644121,
"formula_full": "Li2 Ga2 Mo4 O16",
"formula_reduced": "LiGa(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0241101770833336,
"spacegroup": 2
},
{
"id": "jvasp-22954",
"created_at": "2022-09-04T14:38:20.087384Z",
"updated_at": "2022-09-04T14:38:20.087404Z",
"structure_string": "Li12 Ga4 Ge4 O20\n1.0\n4.980660 0.000000 0.000000\n0.000000 5.480020 0.000000\n0.000000 0.000000 15.849888\nLi Ga Ge O\n12 4 4 20\ndirect\n0.492236 0.324509 0.403187 Li\n0.492120 0.329016 0.803034 Li\n0.992120 0.670984 0.196966 Li\n0.992120 0.170984 0.303034 Li\n0.494944 0.339427 0.995464 Li\n0.994944 0.660573 0.004536 Li\n0.492120 0.829016 0.696966 Li\n0.494944 0.839427 0.504536 Li\n0.492236 0.824509 0.096813 Li\n0.992236 0.175491 0.903187 Li\n0.992236 0.675491 0.596814 Li\n0.994944 0.160573 0.495464 Li\n0.492167 0.831747 0.299455 Ga\n0.492167 0.331747 0.200545 Ga\n0.992167 0.668253 0.799455 Ga\n0.992167 0.168253 0.700545 Ga\n0.498194 0.339893 0.595928 Ge\n0.998194 0.660107 0.404072 Ge\n0.998194 0.160107 0.095928 Ge\n0.498194 0.839893 0.904073 Ge\n0.597648 0.656242 0.204231 O\n0.097648 0.343757 0.795769 O\n0.113171 0.818857 0.308029 O\n0.613171 0.181143 0.691971 O\n0.613171 0.681143 0.808029 O\n0.113171 0.318857 0.191971 O\n0.102757 0.355528 0.397971 O\n0.602757 0.644472 0.602029 O\n0.602757 0.144472 0.897972 O\n0.102757 0.855527 0.102029 O\n0.604198 0.177927 0.507037 O\n0.604198 0.677927 0.992963 O\n0.104198 0.322073 0.007037 O\n0.632563 0.177464 0.104420 O\n0.132563 0.322536 0.604420 O\n0.132563 0.822536 0.895580 O\n0.597648 0.156242 0.295769 O\n0.632563 0.677464 0.395580 O\n0.104198 0.822073 0.492963 O\n0.097648 0.843757 0.704232 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Ga",
"Ge",
"O"
],
"chemical_system": "Ga-Ge-Li-O",
"density": 3.7337657133567537,
"density_atomic": 0.09246231314880814,
"volume": 432.6086882081817,
"volume_molar": 6.513076035971557,
"formula_full": "Li12 Ga4 Ge4 O20",
"formula_reduced": "Li3GaGeO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.5207315775,
"spacegroup": 33
},
{
"id": "jvasp-61695",
"created_at": "2022-09-04T14:35:44.993682Z",
"updated_at": "2022-09-04T14:35:44.993704Z",
"structure_string": "Li6 Ga2 B4 O12\n1.0\n4.961387 0.008377 0.006858\n0.022716 6.196920 -0.210078\n0.076079 2.283471 7.567800\nLi Ga B O\n6 2 4 12\ndirect\n0.676635 0.400645 0.425928 Li\n0.323367 0.599356 0.574072 Li\n0.174776 0.468089 0.239866 Li\n0.825225 0.531912 0.760134 Li\n0.833075 0.241486 0.109304 Li\n0.166927 0.758514 0.890695 Li\n0.648242 0.049524 0.768301 Ga\n0.351760 0.950476 0.231699 Ga\n0.660453 0.672828 0.071702 B\n0.339549 0.327172 0.928298 B\n0.162782 0.174984 0.587734 B\n0.837220 0.825017 0.412266 B\n0.289301 0.013671 0.720836 O\n0.780377 0.781791 0.910024 O\n0.219624 0.218210 0.089976 O\n0.880123 0.175966 0.588737 O\n0.119879 0.824034 0.411263 O\n0.301162 0.330085 0.467223 O\n0.698840 0.669915 0.532777 O\n0.794057 0.510640 0.185667 O\n0.205944 0.489360 0.814333 O\n0.389594 0.731384 0.100494 O\n0.610408 0.268617 0.899506 O\n0.710700 -0.013670 0.279164 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Ga",
"B",
"O"
],
"chemical_system": "B-Ga-Li-O",
"density": 2.9412052483072593,
"density_atomic": 0.10210594327643772,
"volume": 235.04998073445458,
"volume_molar": 5.897933623409057,
"formula_full": "Li6 Ga2 B4 O12",
"formula_reduced": "Li3Ga(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.3454523743055558,
"spacegroup": 2
},
{
"id": "jvasp-89325",
"created_at": "2022-09-04T14:36:08.810291Z",
"updated_at": "2022-09-04T14:36:08.810299Z",
"structure_string": "Li1 Ga1 As2 O7\n1.0\n4.712508 -0.006148 -0.732247\n-0.999712 5.109465 -1.092658\n-0.010023 0.001477 5.319786\nLi Ga As O\n1 1 2 7\ndirect\n0.499999 0.248561 0.751442 Li\n0.500000 0.624433 0.375567 Ga\n0.906107 0.180637 0.251052 As\n0.093896 0.748948 0.819364 As\n0.659938 0.354430 0.139161 O\n0.340063 0.860837 0.645569 O\n0.230445 0.614746 0.060599 O\n0.769558 0.939398 0.385253 O\n0.772731 0.545238 0.660980 O\n0.227269 0.339019 0.454762 O\n0.000001 0.054430 0.945571 O\n",
"nsites": 11,
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"elements": [
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"As",
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],
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"density": 4.390346080583446,
"density_atomic": 0.08591714194756657,
"volume": 128.0303295786197,
"volume_molar": 7.009242420651266,
"formula_full": "Li1 Ga1 As2 O7",
"formula_reduced": "LiGaAs2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.249280938636363,
"spacegroup": 5
},
{
"id": "jvasp-44060",
"created_at": "2022-09-04T14:36:48.273594Z",
"updated_at": "2022-09-04T14:36:48.273621Z",
"structure_string": "Li2 Fe3 W1 O8\n1.0\n5.672472 -0.094554 -0.066859\n2.754350 4.959781 -0.066859\n2.754350 1.590225 4.698413\nLi Fe W O\n2 3 1 8\ndirect\n0.124477 0.124477 0.124477 Li\n0.875523 0.875525 0.875522 Li\n0.000000 0.500001 0.500000 Fe\n0.500000 0.000001 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.500001 0.499999 W\n0.264909 0.264910 0.264909 O\n0.256637 0.256638 0.726876 O\n0.256637 0.726877 0.256637 O\n0.726876 0.256638 0.256637 O\n0.273123 0.743364 0.743362 O\n0.743363 0.273125 0.743362 O\n0.743363 0.743364 0.273123 O\n0.735090 0.735092 0.735090 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Fe",
"W",
"O"
],
"chemical_system": "Fe-Li-O-W",
"density": 6.082877440345943,
"density_atomic": 0.10397261655994922,
"volume": 134.650838491958,
"volume_molar": 5.7920450203614084,
"formula_full": "Li2 Fe3 W1 O8",
"formula_reduced": "Li2Fe3WO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.303514607142857,
"spacegroup": 166
},
{
"id": "jvasp-43362",
"created_at": "2022-09-04T14:36:56.966384Z",
"updated_at": "2022-09-04T14:36:56.966408Z",
"structure_string": "Li4 Fe6 Te2 O16\n1.0\n2.885307 -4.997498 -0.000000\n2.885307 4.997498 0.000000\n-0.000000 -0.000000 9.828718\nLi Fe Te O\n4 6 2 16\ndirect\n0.666668 0.333333 0.087852 Li\n0.000000 0.000000 0.013601 Li\n0.000000 0.000000 0.510669 Li\n0.333333 0.666668 0.605369 Li\n0.645696 0.822849 0.282549 Fe\n0.177152 0.354305 0.282549 Fe\n0.177152 0.822849 0.282549 Fe\n0.345574 0.172787 0.785162 Fe\n0.827213 0.172787 0.785162 Fe\n0.827214 0.654427 0.785162 Fe\n0.666668 0.333333 0.509227 Te\n0.333333 0.666668 0.003145 Te\n0.153990 0.307981 0.896446 O\n0.692020 0.846011 0.896446 O\n0.333333 0.666668 0.395979 O\n0.027912 0.513956 0.147018 O\n0.486044 0.513956 0.147018 O\n0.836097 0.672195 0.404257 O\n0.513464 0.486537 0.675637 O\n0.513464 0.026927 0.675637 O\n0.327806 0.163904 0.404257 O\n0.000000 0.000000 0.203361 O\n0.000000 0.000000 0.698610 O\n0.666668 0.333333 0.891073 O\n0.486045 0.972089 0.147018 O\n0.836097 0.163904 0.404257 O\n0.973073 0.486537 0.675637 O\n0.153990 0.846011 0.896446 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
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"density": 5.120367420848685,
"density_atomic": 0.09878397606907788,
"volume": 283.4467806845525,
"volume_molar": 6.0962728973258,
"formula_full": "Li4 Fe6 Te2 O16",
"formula_reduced": "Li2Fe3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.706543019047619,
"spacegroup": 156
},
{
"id": "jvasp-119279",
"created_at": "2022-09-04T14:38:50.519522Z",
"updated_at": "2022-09-04T14:38:50.519553Z",
"structure_string": "Li4 Fe6 Te2 O16\n1.0\n5.866439 -0.093361 -0.014109\n2.806306 4.996156 -1.610272\n-0.055061 0.105373 10.127893\nLi Fe Te O\n4 6 2 16\ndirect\n0.292636 0.404785 0.570654 Li\n0.795741 0.396512 0.071112 Li\n0.207293 0.595270 0.929347 Li\n0.704338 0.603423 0.428886 Li\n0.250054 0.999963 0.250000 Fe\n0.749951 0.000039 0.749997 Fe\n0.495778 -0.003839 0.002135 Fe\n0.750051 0.999957 0.249998 Fe\n0.249945 0.000061 0.750008 Fe\n0.004238 0.003818 0.497867 Fe\n0.749945 0.500036 0.749990 Te\n0.250048 0.499969 0.250006 Te\n0.095749 0.263577 0.635759 O\n0.356161 0.758671 0.366449 O\n0.857741 0.756153 0.865298 O\n0.896406 0.749754 0.359136 O\n0.404150 0.736495 0.864230 O\n0.603694 0.250174 0.140872 O\n0.143923 0.241275 0.133564 O\n0.595824 0.805390 0.145925 O\n0.352425 0.252249 0.365372 O\n0.868818 0.244246 0.862483 O\n0.904278 0.194531 0.354068 O\n0.424579 0.188334 0.859388 O\n0.631079 0.755836 0.637505 O\n0.075325 0.811745 0.640621 O\n0.642162 0.243911 0.634691 O\n0.147677 0.747674 0.134635 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-Te",
"density": 4.830150444102335,
"density_atomic": 0.09318500542313939,
"volume": 300.47752718214826,
"volume_molar": 6.462564156812939,
"formula_full": "Li4 Fe6 Te2 O16",
"formula_reduced": "Li2Fe3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.706953733333333,
"spacegroup": 2
},
{
"id": "jvasp-44525",
"created_at": "2022-09-04T14:38:09.964189Z",
"updated_at": "2022-09-04T14:38:09.964204Z",
"structure_string": "Li4 Fe3 Te1 O12\n1.0\n0.000000 4.788770 -0.012102\n8.097378 0.000000 0.000000\n0.000000 -0.075143 -4.917047\nLi Fe Te O\n4 3 1 12\ndirect\n0.000000 0.698616 0.000000 Li\n0.500000 0.802056 -0.000000 Li\n0.000000 0.333537 0.500000 Li\n0.500000 0.204215 0.500000 Li\n0.500000 0.424671 -0.000000 Fe\n0.000000 0.897085 0.500000 Fe\n0.500000 0.606791 0.500000 Fe\n0.000000 0.101778 0.000000 Te\n0.794054 0.918051 0.175583 O\n0.304945 0.433983 0.313486 O\n0.207480 0.079392 0.336285 O\n0.246664 0.755231 0.357349 O\n0.753336 0.755231 0.642651 O\n0.301205 0.587089 0.817630 O\n0.695055 0.433983 0.686514 O\n0.205947 0.918051 0.824417 O\n0.698796 0.587089 0.182370 O\n0.252030 0.262420 0.839046 O\n0.792520 0.079392 0.663715 O\n0.747971 0.262420 0.160954 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Te",
"O"
],
"chemical_system": "Fe-Li-O-Te",
"density": 4.484102680502241,
"density_atomic": 0.10489154239243963,
"volume": 190.6731424081105,
"volume_molar": 5.741302513665834,
"formula_full": "Li4 Fe3 Te1 O12",
"formula_reduced": "Li4Fe3TeO12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.634687313333333,
"spacegroup": 3
},
{
"id": "jvasp-110733",
"created_at": "2022-09-04T14:38:39.854474Z",
"updated_at": "2022-09-04T14:38:39.854494Z",
"structure_string": "Li2 Fe1 Te1 O6\n1.0\n5.013995 -0.012151 -0.000919\n-2.498731 3.636883 -2.380873\n0.001057 -0.019135 5.249122\nLi Fe Te O\n2 1 1 6\ndirect\n0.713443 0.426867 0.140278 Li\n0.208974 0.417921 0.626947 Li\n0.998765 0.997536 0.996295 Fe\n0.497936 0.995881 0.493821 Te\n0.627006 0.514994 0.775570 O\n0.778073 0.157711 0.269783 O\n0.887953 0.148492 0.775520 O\n0.112109 0.890163 0.269765 O\n0.260509 0.887509 0.775505 O\n0.379628 0.491713 0.269708 O\n",
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"elements": [
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],
"chemical_system": "Fe-Li-O-Te",
"density": 5.109272356073861,
"density_atomic": 0.10489704305925357,
"volume": 95.33157187616112,
"volume_molar": 5.741001447102996,
"formula_full": "Li2 Fe1 Te1 O6",
"formula_reduced": "Li2FeTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.265487426666667,
"spacegroup": 146
}
]
}