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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=11525",
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"results": [
{
"id": "mp-1210711",
"created_at": "2022-09-04T14:42:18.899841Z",
"structure_string": "Mg4 Mn4 Zn4 Si4 O24\n1.0\n2.990306 -4.198613 0.000000\n2.990306 4.198613 0.000000\n0.000000 0.000000 17.999360\nMg Mn Zn Si O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.482687 0.517313 0.584088 Mn\n0.517313 0.482687 0.415912 Mn\n0.017313 0.982687 0.084088 Mn\n0.982687 0.017313 0.915912 Mn\n0.349757 0.150243 0.750000 Zn\n0.650243 0.849757 0.250000 Zn\n0.150243 0.349757 0.250000 Zn\n0.849757 0.650243 0.750000 Zn\n0.356530 0.643470 0.847191 Si\n0.643470 0.356530 0.152809 Si\n0.143470 0.856530 0.347191 Si\n0.856530 0.143470 0.652809 Si\n0.271493 0.728507 0.574759 O\n0.728507 0.271493 0.425241 O\n0.228507 0.771493 0.074759 O\n0.771493 0.228507 0.925241 O\n0.706121 0.706121 0.500000 O\n0.293879 0.293879 0.500000 O\n0.793879 0.793879 0.000000 O\n0.206121 0.206121 0.000000 O\n0.238547 0.761453 0.920136 O\n0.761453 0.238547 0.079864 O\n0.261453 0.738547 0.420136 O\n0.738547 0.261453 0.579864 O\n0.241033 0.758967 0.773417 O\n0.758967 0.241033 0.226583 O\n0.258967 0.741033 0.273417 O\n0.741033 0.258967 0.726583 O\n0.742943 0.800162 0.655918 O\n0.257057 0.199838 0.344082 O\n0.757057 0.699838 0.155918 O\n0.699838 0.757057 0.844082 O\n0.242943 0.300162 0.844082 O\n0.300162 0.242943 0.155918 O\n0.800162 0.742943 0.344082 O\n0.199838 0.257057 0.655918 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"Mn",
"Zn",
"Si",
"O"
],
"chemical_system": "Mg-Mn-O-Si-Zn",
"density": 3.9493268615176045,
"density_atomic": 0.08850166760856014,
"volume": 451.96888466462167,
"volume_molar": 6.8045506064763925,
"formula_full": "Mg4 Mn4 Zn4 Si4 O24",
"formula_reduced": "MgMnZnSiO6",
"formula_anonymous": "ABCDE6",
"energy": -286.1233159,
"energy_per_atom": -7.153082897500001,
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"is_stable": null,
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"energy_uncorrected": -262.9633159,
"band_gap": 1.0094,
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"updated_at": "2021-11-28T01:35:42.468000Z",
"spacegroup": 64
},
{
"id": "mp-1222211",
"created_at": "2022-09-04T14:46:16.738085Z",
"structure_string": "Mg5 Mn3 Zn4 Si4 O24\n1.0\n-4.183381 0.009634 -3.025041\n4.183381 -0.009634 -3.025041\n0.048240 -18.237751 0.000000\nMg Mn Zn Si O\n5 3 4 4 24\ndirect\n0.995015 0.492290 0.998397 Mg\n0.507710 0.004985 0.998397 Mg\n0.000267 0.499542 0.499995 Mg\n0.500458 0.999733 0.499995 Mg\n0.002681 0.997319 0.102871 Mg\n0.983783 0.016217 0.911123 Mn\n0.483185 0.516815 0.583470 Mn\n0.517274 0.482726 0.416713 Mn\n0.154719 0.352745 0.252248 Zn\n0.349636 0.151153 0.749245 Zn\n0.848847 0.650364 0.749245 Zn\n0.647255 0.845281 0.252248 Zn\n0.642094 0.357906 0.154076 Si\n0.357481 0.642519 0.846814 Si\n0.856231 0.143769 0.652583 Si\n0.142772 0.857228 0.348404 Si\n0.812585 0.802822 0.992723 O\n0.295797 0.295768 0.500212 O\n0.197178 0.187415 0.992723 O\n0.704233 0.704203 0.500212 O\n0.230890 0.769110 0.067387 O\n0.771249 0.228751 0.922664 O\n0.271319 0.728681 0.573654 O\n0.729178 0.270822 0.426775 O\n0.750471 0.249529 0.078573 O\n0.243451 0.756549 0.919604 O\n0.739369 0.260631 0.579324 O\n0.260814 0.739186 0.421318 O\n0.748441 0.692401 0.161316 O\n0.698330 0.756749 0.842256 O\n0.197123 0.257497 0.656251 O\n0.258980 0.198321 0.345398 O\n0.243251 0.301670 0.842256 O\n0.307599 0.251559 0.161316 O\n0.801679 0.741020 0.345398 O\n0.742503 0.802877 0.656251 O\n0.771539 0.228461 0.223304 O\n0.237637 0.762363 0.774411 O\n0.738425 0.261575 0.725077 O\n0.258553 0.741447 0.275773 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Mg",
"Mn",
"Zn",
"Si",
"O"
],
"chemical_system": "Mg-Mn-O-Si-Zn",
"density": 3.756801043140638,
"density_atomic": 0.08665680530627401,
"volume": 461.5909836351188,
"volume_molar": 6.949414692493855,
"formula_full": "Mg5 Mn3 Zn4 Si4 O24",
"formula_reduced": "Mg5Mn3Zn4(SiO6)4",
"formula_anonymous": "A3B4C4D5E24",
"energy": -278.53326428,
"energy_per_atom": -6.963331607000001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -257.04126428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.9991845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.323000Z",
"spacegroup": 8
},
{
"id": "mp-1233289",
"created_at": "2022-09-04T14:42:51.282330Z",
"structure_string": "Mg1 Nb2 Te4 Cl10 O1\n1.0\n7.152375 -0.136488 0.242946\n2.304825 8.643862 1.340789\n-0.460711 -0.108482 9.663693\nMg Nb Te Cl O\n1 2 4 10 1\ndirect\n0.399356 0.696360 0.337946 Mg\n0.541681 0.616317 0.649466 Nb\n0.491711 0.338286 0.379318 Nb\n0.104556 0.966228 0.183532 Te\n0.060847 0.216385 0.962080 Te\n0.909982 0.819141 0.021654 Te\n0.814970 0.085319 0.830833 Te\n0.451515 0.195201 0.194416 Cl\n0.405687 0.468474 0.814433 Cl\n0.803198 0.197834 0.440762 Cl\n0.172483 0.529197 0.298623 Cl\n0.606461 0.521196 0.195324 Cl\n0.334989 0.205067 0.538497 Cl\n0.863247 0.472592 0.702478 Cl\n0.655619 0.781973 0.445935 Cl\n0.220466 0.778070 0.551444 Cl\n0.559010 0.810374 0.791885 Cl\n0.511630 0.494845 0.497086 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Mg",
"Nb",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-Nb-O-Te",
"density": 3.0069103905078305,
"density_atomic": 0.029874481076587432,
"volume": 602.5209259318838,
"volume_molar": 20.15814348226299,
"formula_full": "Mg1 Nb2 Te4 Cl10 O1",
"formula_reduced": "MgNb2Te4Cl10O",
"formula_anonymous": "ABC2D4E10",
"energy": -83.71831322999999,
"energy_per_atom": -4.6510174016666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -76.89131323,
"band_gap": 0.0028999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.09e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.838000Z",
"spacegroup": 1
},
{
"id": "mp-1233782",
"created_at": "2022-09-04T14:42:23.916216Z",
"structure_string": "Mg1 Nb2 Te4 Cl10 O1\n1.0\n7.139316 -0.235357 0.470566\n2.215286 8.719804 1.374800\n-0.132165 -0.074070 9.163265\nMg Nb Te Cl O\n1 2 4 10 1\ndirect\n0.613457 0.363702 0.975541 Mg\n0.508838 0.652514 0.638494 Nb\n0.490632 0.363500 0.377904 Nb\n0.168162 0.907075 0.158924 Te\n0.103904 0.172963 0.966910 Te\n0.876305 0.816787 0.032014 Te\n0.824799 0.073147 0.825266 Te\n0.476957 0.196351 0.159692 Cl\n0.337189 0.496659 0.838929 Cl\n0.796413 0.207790 0.420189 Cl\n0.202622 0.521277 0.274253 Cl\n0.664148 0.506443 0.165712 Cl\n0.330246 0.204210 0.531747 Cl\n0.799620 0.467995 0.764550 Cl\n0.708159 0.769900 0.476641 Cl\n0.209812 0.790943 0.569250 Cl\n0.535687 0.818867 0.822026 Cl\n0.510458 0.498447 0.509102 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Mg",
"Nb",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-Nb-O-Te",
"density": 3.1428639196164823,
"density_atomic": 0.031225216750478183,
"volume": 576.4571674182005,
"volume_molar": 19.286145579462715,
"formula_full": "Mg1 Nb2 Te4 Cl10 O1",
"formula_reduced": "MgNb2Te4Cl10O",
"formula_anonymous": "ABC2D4E10",
"energy": -84.16766252,
"energy_per_atom": -4.675981251111111,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -77.34066252,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.820000Z",
"spacegroup": 1
},
{
"id": "mp-1233675",
"created_at": "2022-09-04T14:46:23.624641Z",
"structure_string": "Mg1 Nb2 Te4 Cl10 O1\n1.0\n7.115448 -0.132538 0.295296\n2.303764 8.524786 1.321169\n-0.387416 -0.102910 9.361534\nMg Nb Te Cl O\n1 2 4 10 1\ndirect\n0.188206 0.343785 0.727244 Mg\n0.503918 0.660116 0.619816 Nb\n0.490861 0.370185 0.354217 Nb\n0.218584 0.905569 0.140247 Te\n0.051055 0.203616 0.004799 Te\n0.927640 0.801678 0.018053 Te\n0.812709 0.079809 0.838853 Te\n0.449689 0.182361 0.194876 Cl\n0.387906 0.483005 0.824034 Cl\n0.788914 0.197298 0.430862 Cl\n0.161028 0.514716 0.291168 Cl\n0.616003 0.522338 0.179580 Cl\n0.331629 0.199394 0.549014 Cl\n0.855081 0.474303 0.720356 Cl\n0.658417 0.795451 0.452607 Cl\n0.191527 0.801285 0.564869 Cl\n0.549208 0.803807 0.813148 Cl\n0.502807 0.496996 0.504828 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Mg",
"Nb",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-Nb-O-Te",
"density": 3.163770974018639,
"density_atomic": 0.03143293408155533,
"volume": 572.6477825231817,
"volume_molar": 19.158697512535937,
"formula_full": "Mg1 Nb2 Te4 Cl10 O1",
"formula_reduced": "MgNb2Te4Cl10O",
"formula_anonymous": "ABC2D4E10",
"energy": -83.65208838000001,
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"energy_above_hull": null,
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"energy_uncorrected": -76.82508838,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.276000Z",
"spacegroup": 1
},
{
"id": "mp-1234919",
"created_at": "2022-09-04T14:45:59.688186Z",
"structure_string": "Mg1 Nb2 Te4 Cl10 O1\n1.0\n7.168899 -0.167715 0.360260\n2.297399 8.063860 1.319266\n-0.309897 -0.153038 9.518408\nMg Nb Te Cl O\n1 2 4 10 1\ndirect\n0.425264 0.167635 0.790469 Mg\n0.519834 0.644089 0.625961 Nb\n0.490423 0.360619 0.352060 Nb\n0.178070 0.898720 0.162733 Te\n0.086239 0.200871 0.988861 Te\n0.900281 0.800123 0.023335 Te\n0.865368 0.068297 0.816521 Te\n0.449882 0.169239 0.191217 Cl\n0.395011 0.455892 0.822707 Cl\n0.790340 0.185663 0.426294 Cl\n0.164047 0.520928 0.299156 Cl\n0.613082 0.518885 0.174582 Cl\n0.329199 0.199598 0.546003 Cl\n0.827700 0.499867 0.729728 Cl\n0.655308 0.811706 0.467621 Cl\n0.198893 0.789760 0.590402 Cl\n0.516650 0.857928 0.817099 Cl\n0.511074 0.500181 0.496680 O\n",
"nsites": 18,
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"elements": [
"Mg",
"Nb",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-Nb-O-Te",
"density": 3.257289743424712,
"density_atomic": 0.03236206875605277,
"volume": 556.2067164397025,
"volume_molar": 18.60863965587386,
"formula_full": "Mg1 Nb2 Te4 Cl10 O1",
"formula_reduced": "MgNb2Te4Cl10O",
"formula_anonymous": "ABC2D4E10",
"energy": -83.74189037,
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"updated_at": "2021-11-28T01:37:16.108000Z",
"spacegroup": 1
},
{
"id": "mp-1234061",
"created_at": "2022-09-04T14:46:41.719026Z",
"structure_string": "Mg1 Nb2 Te4 Cl10 O1\n1.0\n6.706671 0.026426 0.465579\n2.385587 8.465170 1.554132\n-0.164322 0.017475 9.800207\nMg Nb Te Cl O\n1 2 4 10 1\ndirect\n0.219717 0.054955 0.421273 Mg\n0.536271 0.639778 0.637437 Nb\n0.484781 0.380373 0.372026 Nb\n0.194973 0.891362 0.137373 Te\n0.087002 0.185915 0.973996 Te\n0.888336 0.809938 0.010575 Te\n0.808833 0.093679 0.834171 Te\n0.408386 0.165435 0.231941 Cl\n0.355144 0.505446 0.801159 Cl\n0.838264 0.184005 0.420363 Cl\n0.145459 0.534871 0.301695 Cl\n0.626331 0.487463 0.169959 Cl\n0.343494 0.209267 0.561478 Cl\n0.867813 0.474970 0.707678 Cl\n0.645951 0.806508 0.449166 Cl\n0.172470 0.823000 0.562786 Cl\n0.546722 0.821823 0.794450 Cl\n0.515238 0.502641 0.498188 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Mg",
"Nb",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-Nb-O-Te",
"density": 3.2570447389444706,
"density_atomic": 0.032359634569210434,
"volume": 556.2485559440356,
"volume_molar": 18.610039452453986,
"formula_full": "Mg1 Nb2 Te4 Cl10 O1",
"formula_reduced": "MgNb2Te4Cl10O",
"formula_anonymous": "ABC2D4E10",
"energy": -84.07337174999999,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.815000Z",
"spacegroup": 1
},
{
"id": "mp-1233220",
"created_at": "2022-09-04T14:46:31.352922Z",
"structure_string": "Mg1 Nb2 Te4 Cl10 O1\n1.0\n6.917110 0.030382 0.430787\n2.452706 8.634085 1.521247\n-0.218851 -0.005489 9.810234\nMg Nb Te Cl O\n1 2 4 10 1\ndirect\n0.892670 0.732693 0.656788 Mg\n0.503135 0.620429 0.627158 Nb\n0.481414 0.357123 0.355529 Nb\n0.203718 0.899351 0.160378 Te\n0.089489 0.182595 0.990463 Te\n0.921863 0.804075 0.035409 Te\n0.802276 0.089923 0.867821 Te\n0.455891 0.191920 0.196719 Cl\n0.359671 0.503640 0.823744 Cl\n0.802813 0.207042 0.431082 Cl\n0.150748 0.536618 0.289771 Cl\n0.617727 0.515700 0.187179 Cl\n0.323729 0.224852 0.530302 Cl\n0.856364 0.471204 0.703785 Cl\n0.666722 0.794761 0.463218 Cl\n0.172983 0.825239 0.586768 Cl\n0.599675 0.810438 0.796795 Cl\n0.488001 0.503827 0.497091 O\n",
"nsites": 18,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Mg-Nb-O-Te",
"density": 3.091574716629943,
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"volume": 586.0205878051374,
"volume_molar": 19.60610260011376,
"formula_full": "Mg1 Nb2 Te4 Cl10 O1",
"formula_reduced": "MgNb2Te4Cl10O",
"formula_anonymous": "ABC2D4E10",
"energy": -83.80344737,
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"updated_at": "2021-11-28T01:37:35.121000Z",
"spacegroup": 1
},
{
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