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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12118",
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"results": [
{
"id": "mp-1175287",
"created_at": "2022-09-04T14:39:49.025092Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n3.005010 0.000000 0.000000\n0.473480 6.015605 0.000000\n0.439364 2.916615 12.210916\nLi Mn Co O\n7 4 1 12\ndirect\n0.001529 0.496971 0.004128 Li\n0.498744 0.332729 0.833575 Li\n0.501980 0.653957 0.175620 Li\n0.993776 0.823761 0.327308 Li\n0.496383 0.010858 0.492129 Li\n0.003279 0.170184 0.667241 Li\n0.010310 0.347769 0.328326 Li\n0.002333 0.002351 0.004738 Mn\n0.496313 0.495045 0.492130 Mn\n0.499064 0.834821 0.834543 Mn\n0.991510 0.661627 0.666237 Mn\n0.507850 0.174140 0.175525 Co\n0.527922 0.236651 0.014804 O\n0.033737 0.076725 0.841152 O\n0.028584 0.394870 0.166938 O\n0.504123 0.579444 0.344183 O\n0.970856 0.717471 0.503519 O\n0.530510 0.905540 0.670417 O\n0.470998 0.761880 0.994035 O\n0.966393 0.592285 0.826945 O\n0.975423 0.931620 0.162460 O\n0.498590 0.088096 0.317898 O\n0.025302 0.282509 0.498474 O\n0.464489 0.428695 0.657676 O\n",
"nsites": 24,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.906293021480361,
"density_atomic": 0.1087270900458437,
"volume": 220.7361568297343,
"volume_molar": 5.53876753020873,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -164.85057319,
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"updated_at": "2021-11-28T01:34:40.573000Z",
"spacegroup": 1
},
{
"id": "mp-1245081",
"created_at": "2022-09-04T14:39:49.032283Z",
"structure_string": "Al40 O60\n1.0\n10.685397 0.128845 -0.253184\n0.115941 10.538984 -0.582026\n-0.281206 -0.583238 10.064024\nAl O\n40 60\ndirect\n0.345036 0.599663 0.394611 Al\n0.511649 0.963293 0.979138 Al\n0.030997 0.790092 0.527425 Al\n0.096399 0.622148 0.877147 Al\n0.313174 0.159584 0.777984 Al\n0.870650 0.180084 0.730269 Al\n0.089618 0.227271 0.541298 Al\n0.757856 0.025479 0.129746 Al\n0.344394 0.898491 0.232822 Al\n0.124055 0.525930 0.554450 Al\n0.875510 0.476576 0.028495 Al\n0.667306 0.237689 0.964778 Al\n0.742126 0.162320 0.419850 Al\n0.517884 0.801363 0.685259 Al\n0.996602 0.894081 0.831752 Al\n0.916508 0.278337 0.207590 Al\n0.965464 0.410411 0.793695 Al\n0.045911 0.042844 0.193231 Al\n0.473824 0.002322 0.543579 Al\n0.299341 0.093070 0.058308 Al\n0.459135 0.282847 0.393545 Al\n0.732477 0.819396 0.875870 Al\n0.618354 0.647963 0.331136 Al\n0.821915 0.874888 0.325806 Al\n0.261357 0.791768 0.639589 Al\n0.213171 0.021886 0.465896 Al\n0.775923 0.935825 0.611389 Al\n0.441301 0.345533 0.124880 Al\n0.693124 0.408574 0.256036 Al\n0.652627 0.537826 0.792403 Al\n0.248671 0.606589 0.128921 Al\n0.568057 0.527496 0.533088 Al\n0.411881 0.684114 0.918124 Al\n0.209196 0.303879 0.296573 Al\n0.044845 0.136325 0.913963 Al\n0.051833 0.557088 0.281876 Al\n0.401525 0.416097 0.895848 Al\n0.957400 0.753916 0.096810 Al\n0.672765 0.697430 0.088707 Al\n0.587715 0.242330 0.662391 Al\n0.369067 0.980808 0.397891 O\n0.390982 0.054054 0.902612 O\n0.877573 0.852825 0.491363 O\n0.610194 0.651002 0.665491 O\n0.027766 0.494632 0.950860 O\n0.963895 0.289397 0.647189 O\n0.311463 0.223986 0.405342 O\n0.765074 0.342941 0.085868 O\n0.956183 0.885121 0.228608 O\n0.618023 0.552436 0.171751 O\n0.430841 0.992848 0.132981 O\n0.070023 0.096558 0.404002 O\n0.706290 0.206911 0.791379 O\n0.604960 0.408957 0.655671 O\n0.615993 0.909217 0.570005 O\n0.494279 0.539982 0.863016 O\n0.995556 0.753797 0.926489 O\n0.640652 0.089904 0.028814 O\n0.805775 0.461798 0.843104 O\n0.320331 0.248856 0.158027 O\n0.552579 0.314232 0.251965 O\n0.977883 0.049509 0.758144 O\n0.327970 0.722463 0.248445 O\n0.516592 0.311013 0.970083 O\n0.589665 0.892519 0.831436 O\n0.387643 0.893478 0.618970 O\n0.689086 0.518171 0.411301 O\n0.218462 0.497230 0.283680 O\n0.118738 0.371171 0.464918 O\n0.248667 0.655145 0.957903 O\n0.738047 0.020942 0.306391 O\n0.355882 0.476995 0.066887 O\n0.022619 0.625304 0.449918 O\n0.066526 0.529640 0.716494 O\n0.832810 0.864600 0.757636 O\n0.255657 0.629330 0.544362 O\n0.889511 0.116634 0.146014 O\n0.494673 0.672384 0.438908 O\n0.201635 0.164684 0.923921 O\n0.695673 0.668685 0.909767 O\n0.087869 0.662912 0.165779 O\n0.079609 0.227976 0.202758 O\n0.204435 0.124918 0.624503 O\n0.461697 0.138390 0.668594 O\n0.797391 0.099572 0.573237 O\n0.207739 0.989590 0.175449 O\n0.697448 0.772203 0.274268 O\n0.801744 0.288088 0.339037 O\n0.376072 0.744844 0.768737 O\n0.166984 0.863641 0.489004 O\n0.096386 0.800755 0.704163 O\n0.032223 0.993818 0.989996 O\n0.948126 0.444060 0.202913 O\n0.510879 0.774920 0.039105 O\n0.311455 0.329236 0.779946 O\n0.941510 0.266082 0.892081 O\n0.841499 0.636891 0.105197 O\n0.586605 0.198625 0.477138 O\n0.432761 0.450318 0.443811 O\n0.768416 0.868244 0.048822 O\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 2.999695443948533,
"density_atomic": 0.08858553316960359,
"volume": 1128.8524934262412,
"volume_molar": 6.798108612689799,
"formula_full": "Al40 O60",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy": -769.24346758,
"energy_per_atom": -7.6924346758,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -728.02346758,
"band_gap": 3.4702,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.481000Z",
"spacegroup": 1
},
{
"id": "mp-821906",
"created_at": "2022-09-04T14:39:49.097085Z",
"structure_string": "Sr7 Pr1 Fe4 Mo4 O24\n1.0\n5.618647 0.000000 0.000000\n-2.806680 -4.940254 0.000000\n0.012807 2.972184 -18.558422\nSr Pr Fe Mo O\n7 1 4 4 24\ndirect\n0.063524 0.744748 0.191633 Sr\n0.813808 0.749123 0.436796 Sr\n0.565933 0.751299 0.691035 Sr\n0.309323 0.756988 0.929933 Sr\n0.432349 0.250274 0.311859 Sr\n0.693618 0.248593 0.066501 Sr\n0.187577 0.250220 0.561355 Sr\n0.939851 0.254713 0.809693 Pr\n0.754789 0.001105 0.250543 Fe\n0.496219 0.999505 0.500455 Fe\n0.249799 0.995689 0.752153 Fe\n0.625655 0.507757 0.870729 Fe\n0.002386 0.007075 0.996330 Mo\n0.376463 0.501136 0.125550 Mo\n0.123990 0.497461 0.376231 Mo\n0.875453 0.499371 0.625120 Mo\n0.186652 0.261523 0.058792 O\n0.927635 0.246098 0.313901 O\n0.693201 0.244941 0.563982 O\n0.445331 0.249641 0.812319 O\n0.607404 0.285182 0.177214 O\n0.365921 0.288466 0.428497 O\n0.109276 0.301060 0.676542 O\n0.872077 0.296145 0.919347 O\n0.671809 0.809138 0.046935 O\n0.397818 0.773651 0.306730 O\n0.157616 0.788741 0.552461 O\n0.906352 0.825494 0.801614 O\n0.556764 0.749505 0.187264 O\n0.320714 0.746464 0.439586 O\n0.053381 0.740061 0.690748 O\n0.813030 0.758987 0.934220 O\n0.088359 0.197968 0.200196 O\n0.853698 0.215489 0.447676 O\n0.603926 0.206451 0.702336 O\n0.339806 0.202818 0.949631 O\n0.133873 0.712990 0.072325 O\n0.882660 0.704022 0.323970 O\n0.647791 0.701920 0.575339 O\n0.354170 0.678187 0.822458 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Mo-O-Pr-Sr",
"density": 5.626202260855905,
"density_atomic": 0.0776493669094867,
"volume": 515.1362025478801,
"volume_molar": 7.755556805788011,
"formula_full": "Sr7 Pr1 Fe4 Mo4 O24",
"formula_reduced": "Sr7PrFe4(MoO6)4",
"formula_anonymous": "AB4C4D7E24",
"energy": -258.76224651,
"energy_per_atom": -6.46905616275,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:29.677000Z",
"spacegroup": 1
},
{
"id": "mp-731799",
"created_at": "2022-09-04T14:39:49.177352Z",
"structure_string": "Mg12 C6 Cl6 O36\n1.0\n7.518464 0.000000 0.000000\n-2.521009 13.127566 0.000000\n-2.496404 -6.530000 11.481347\nMg C Cl O\n12 6 6 36\ndirect\n0.660137 0.397878 0.417314 Mg\n0.264549 0.019828 0.602089 Mg\n0.244696 0.581769 0.980396 Mg\n0.764665 0.600914 0.019964 Mg\n0.156870 0.413353 0.396014 Mg\n0.744045 0.980539 0.581191 Mg\n0.134462 0.595383 0.252462 Mg\n0.540047 0.658967 0.404787 Mg\n0.882742 0.748625 0.340582 Mg\n0.039813 0.406856 0.658123 Mg\n0.635318 0.253861 0.595581 Mg\n0.382898 0.343059 0.747515 Mg\n0.864831 0.547279 0.387553 C\n0.319251 0.841439 0.452908 C\n0.477449 0.611945 0.158786 C\n0.819148 0.453359 0.841322 C\n0.363122 0.386769 0.545413 C\n0.978861 0.159996 0.613141 C\n0.539836 0.328951 0.147797 Cl\n0.195067 0.820570 0.673286 Cl\n0.387097 0.852963 0.178371 Cl\n0.701656 0.673925 0.821970 Cl\n0.017301 0.141741 0.333094 Cl\n0.876741 0.177064 0.850748 Cl\n0.540214 0.282493 0.240226 O\n0.260761 0.959730 0.719363 O\n0.301751 0.759887 0.040677 O\n0.761268 0.719252 0.960083 O\n0.029273 0.233611 0.285150 O\n0.798205 0.038573 0.757720 O\n0.913680 0.456923 0.382024 O\n0.458101 0.924650 0.542428 O\n0.532340 0.616271 0.074006 O\n0.958277 0.541982 0.925671 O\n0.410574 0.378889 0.454361 O\n0.032980 0.074878 0.617620 O\n0.712209 0.559113 0.418538 O\n0.155029 0.861383 0.441142 O\n0.293894 0.580606 0.139826 O\n0.654234 0.441092 0.860505 O\n0.210407 0.417651 0.556955 O\n0.794806 0.140773 0.581709 O\n0.959511 0.618796 0.363035 O\n0.341393 0.745703 0.381695 O\n0.596195 0.638176 0.254791 O\n0.841505 0.383579 0.745372 O\n0.459243 0.364349 0.617864 O\n0.097135 0.256421 0.638770 O\n0.280599 0.514305 0.330586 O\n0.768212 0.815758 0.482511 O\n0.953406 0.671048 0.185028 O\n0.267625 0.486614 0.814751 O\n0.782359 0.330370 0.515229 O\n0.454056 0.186086 0.671849 O\n0.882584 0.541448 0.128018 O\n0.341405 0.584041 0.458239 O\n0.757384 0.875742 0.413055 O\n0.840213 0.459557 0.584992 O\n0.383711 0.128285 0.543287 O\n0.256056 0.414929 0.872517 O\n",
"nsites": 60,
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"elements": [
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"C",
"Cl",
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],
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"density": 1.6887055571601015,
"density_atomic": 0.052947452887913124,
"volume": 1133.1989874379176,
"volume_molar": 11.37380635240102,
"formula_full": "Mg12 C6 Cl6 O36",
"formula_reduced": "Mg2CClO6",
"formula_anonymous": "ABC2D6",
"energy": -351.72129633,
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"updated_at": "2021-11-28T01:34:41.059000Z",
"spacegroup": 1
},
{
"id": "mp-1379988",
"created_at": "2022-09-04T14:39:49.564631Z",
"structure_string": "Ba4 Mg2 Cu2 Sn4 F28\n1.0\n5.388627 0.000000 0.000000\n-2.607058 7.248188 0.000000\n-0.107463 -0.484170 15.490501\nBa Mg Cu Sn F\n4 2 2 4 28\ndirect\n0.081328 0.350318 0.622584 Ba\n0.270019 0.351386 0.127653 Ba\n0.911808 0.633485 0.372030 Ba\n0.721042 0.635306 0.873023 Ba\n0.462529 0.010715 0.752926 Mg\n0.552630 0.012721 0.253639 Mg\n0.503814 0.005841 0.999181 Cu\n0.506406 0.006551 0.496757 Cu\n0.086624 0.230126 0.875223 Sn\n0.908460 0.764858 0.125384 Sn\n0.153335 0.226976 0.376748 Sn\n0.857085 0.764614 0.624931 Sn\n0.830536 0.962204 0.323518 F\n0.864035 0.307702 0.459453 F\n0.126265 0.704900 0.547784 F\n0.632400 0.498529 0.603281 F\n0.625960 0.064656 0.631416 F\n0.564266 0.928500 0.870161 F\n0.443862 0.306003 0.956137 F\n0.887705 0.008747 0.162922 F\n0.366351 0.338747 0.773010 F\n0.376845 0.523016 0.397146 F\n0.790396 0.235618 0.778052 F\n0.145785 0.520123 0.895196 F\n0.455050 0.235895 0.272546 F\n0.193914 0.771143 0.212311 F\n0.436697 0.057247 0.127543 F\n0.638658 0.658011 0.217849 F\n0.097448 0.832962 0.013088 F\n0.121847 0.007707 0.665299 F\n0.892171 0.164092 0.000351 F\n0.736506 0.833517 0.513979 F\n0.580319 0.703818 0.046762 F\n0.579134 0.771640 0.712311 F\n0.979668 0.340888 0.270380 F\n0.272373 0.163965 0.508829 F\n0.359882 0.930043 0.369519 F\n0.127499 0.970182 0.826124 F\n0.016863 0.659495 0.719129 F\n0.866735 0.498551 0.103011 F\n",
"nsites": 40,
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"elements": [
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"Sn",
"F"
],
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"density": 4.7530799884531305,
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"volume": 605.0246042800597,
"volume_molar": 9.108858325594545,
"formula_full": "Ba4 Mg2 Cu2 Sn4 F28",
"formula_reduced": "Ba2MgCuSn2F14",
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"energy": -213.46754119,
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"updated_at": "2021-11-28T01:34:28.002000Z",
"spacegroup": 1
},
{
"id": "mp-1375284",
"created_at": "2022-09-04T14:39:49.196133Z",
"structure_string": "V4 Cr4 O12\n1.0\n-5.118099 0.000000 0.000000\n2.553182 4.871956 0.000000\n-0.009342 -2.658242 -8.419516\nV Cr O\n4 4 12\ndirect\n0.273904 0.126891 0.425522 V\n0.780760 0.629252 0.924746 V\n0.477685 0.122745 0.826432 V\n0.722612 0.871866 0.573605 V\n0.975865 0.629099 0.324526 Cr\n0.023931 0.370534 0.675427 Cr\n0.522770 0.872581 0.173877 Cr\n0.226955 0.376303 0.075728 Cr\n0.527051 0.475592 0.276577 O\n0.025822 0.974298 0.776125 O\n0.572754 0.125639 0.626184 O\n0.933114 0.375198 0.875666 O\n0.475526 0.226654 0.026105 O\n0.970928 0.719709 0.526871 O\n0.025475 0.278558 0.472804 O\n0.524088 0.775247 0.974592 O\n0.073024 0.625511 0.125234 O\n0.424851 0.873971 0.373184 O\n0.971491 0.025460 0.223873 O\n0.471392 0.524893 0.722922 O\n",
"nsites": 20,
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"elements": [
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-V",
"density": 4.775316745659694,
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"volume": 209.94192075432676,
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"formula_full": "V4 Cr4 O12",
"formula_reduced": "VCrO3",
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"energy": -150.37475888,
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{
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{
"id": "mp-1245283",
"created_at": "2022-09-04T14:39:49.762018Z",
"structure_string": "V30 O75\n1.0\n12.843934 0.216000 -0.435940\n0.194109 12.600563 -0.726554\n-0.436607 -0.735616 11.851137\nV O\n30 75\ndirect\n0.059654 0.028033 0.110306 V\n0.974144 0.727049 0.751860 V\n0.975239 0.088045 0.759745 V\n0.748503 0.100612 0.298975 V\n0.847623 0.956093 0.961420 V\n0.216735 0.594072 0.875807 V\n0.323029 0.666834 0.092149 V\n0.568675 0.979608 0.368533 V\n0.688997 0.608528 0.544155 V\n0.038374 0.660068 0.072466 V\n0.607443 0.203342 0.526775 V\n0.055883 0.781926 0.341848 V\n0.258430 0.869638 0.991005 V\n0.279341 0.070947 0.816417 V\n0.942982 0.597923 0.493962 V\n0.054221 0.240569 0.294953 V\n0.139089 0.992601 0.544385 V\n0.367280 0.131709 0.287259 V\n0.372250 0.639502 0.651861 V\n0.746916 0.255673 0.790917 V\n0.479092 0.552647 0.864378 V\n0.363563 0.833223 0.571244 V\n0.296416 0.416210 0.682574 V\n0.668078 0.151999 0.029582 V\n0.625264 0.878119 0.617758 V\n0.144836 0.478839 0.442429 V\n0.969125 0.449652 0.192163 V\n0.731174 0.746455 0.817673 V\n0.478627 0.448850 0.458357 V\n0.293623 0.345433 0.273104 V\n0.164793 0.322299 0.346097 O\n0.147432 0.915413 0.063106 O\n0.982453 0.537057 0.075674 O\n0.185647 0.629208 0.046275 O\n0.723852 0.517318 0.623038 O\n0.388679 0.126775 0.805487 O\n0.428144 0.439689 0.791496 O\n0.964206 0.705975 0.395506 O\n0.545412 0.325043 0.503715 O\n0.066021 0.115724 0.023510 O\n0.817913 0.825952 0.948204 O\n0.723235 0.171697 0.174451 O\n0.260731 0.500460 0.398916 O\n0.427115 0.403974 0.322162 O\n0.795664 0.628499 0.466802 O\n0.483850 0.636709 0.743272 O\n0.502242 0.076678 0.286215 O\n0.658692 0.921333 0.493522 O\n0.852454 0.468542 0.234856 O\n0.927769 0.979044 0.090309 O\n0.181728 0.175156 0.860991 O\n0.021996 0.022390 0.633446 O\n0.285155 0.034074 0.280330 O\n0.098422 0.600011 0.504156 O\n0.348917 0.225774 0.398639 O\n0.304056 0.971985 0.925135 O\n0.369929 0.603583 0.957839 O\n0.726853 0.025255 0.975827 O\n0.059660 0.802433 0.709088 O\n0.378585 0.623331 0.202901 O\n0.702872 0.238799 0.929879 O\n0.222406 0.460060 0.827585 O\n0.570479 0.554112 0.463155 O\n0.190046 0.424602 0.578371 O\n0.170176 0.724491 0.348845 O\n0.316177 0.289921 0.671626 O\n0.483171 0.898300 0.608159 O\n0.684877 0.975972 0.284604 O\n0.059848 0.496221 0.297823 O\n0.946057 0.616917 0.643312 O\n0.667346 0.736735 0.641531 O\n0.768776 0.379883 0.791609 O\n0.543309 0.141798 0.026554 O\n-0.000519 0.306212 0.177272 O\n0.615965 0.779233 0.867799 O\n0.498344 0.875140 0.337283 O\n0.870705 0.069488 0.314776 O\n0.250304 0.417740 0.174961 O\n0.856625 0.795075 0.743295 O\n0.343832 0.807729 0.095450 O\n0.388961 0.696685 0.516336 O\n0.864642 0.182629 0.760910 O\n0.154275 0.102252 0.493217 O\n0.026127 0.766480 0.180572 O\n0.074956 0.097903 0.247436 O\n0.224127 0.012294 0.688259 O\n0.923572 0.995862 0.857764 O\n0.947112 0.468093 0.466108 O\n0.067454 0.909121 0.426964 O\n0.320258 0.224603 0.182802 O\n0.331714 0.790129 0.695839 O\n0.708225 0.177155 0.430818 O\n0.267115 0.606903 0.722931 O\n0.974552 0.255759 0.394299 O\n0.655419 0.212706 0.670455 O\n0.080657 0.179629 0.809066 O\n0.229278 0.762634 0.896234 O\n0.533897 0.092260 0.500345 O\n0.264120 0.901457 0.505279 O\n0.389875 0.492407 0.583986 O\n0.678941 0.954761 0.724551 O\n0.763088 0.624830 0.840975 O\n0.065745 0.622001 0.841982 O\n0.586169 0.523651 0.933529 O\n0.012435 0.702348 0.920572 O\n",
"nsites": 105,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 2.3739036173451726,
"density_atomic": 0.05502082261648525,
"volume": 1908.368414116369,
"volume_molar": 10.945203058806426,
"formula_full": "V30 O75",
"formula_reduced": "V2O5",
"formula_anonymous": "A2B5",
"energy": -827.53462847,
"energy_per_atom": -7.881282175904762,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -764.45962847,
"band_gap": 0.8933000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.078000Z",
"spacegroup": 1
}
]
}