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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10374",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10372",
"results": [
{
"id": "mp-1075744",
"created_at": "2022-09-04T14:46:00.091651Z",
"structure_string": "Mg10 Si18\n1.0\n6.859344 0.000000 0.000000\n-3.242968 7.036630 0.000000\n-0.513913 -3.510522 10.303944\nMg Si\n10 18\ndirect\n0.127545 0.524516 0.284763 Mg\n0.933081 0.179422 0.598896 Mg\n0.453977 0.970974 0.444774 Mg\n0.421675 0.350768 0.636620 Mg\n0.378117 0.317289 0.358568 Mg\n0.691410 0.724086 0.568625 Mg\n0.871476 0.226605 0.968570 Mg\n0.853019 0.622404 0.123713 Mg\n0.367162 0.028613 0.946476 Mg\n0.632176 0.849685 0.069655 Mg\n0.563931 0.807540 0.804740 Si\n0.401705 0.434855 0.115460 Si\n0.162935 0.892608 0.644258 Si\n0.882865 0.083216 0.315328 Si\n0.566416 0.061657 0.714554 Si\n0.327366 0.952816 0.189167 Si\n0.205958 0.552322 0.807691 Si\n0.682100 0.240110 0.201825 Si\n0.189503 0.218429 0.818987 Si\n0.009919 0.868142 0.415307 Si\n0.079774 0.076558 0.125961 Si\n0.917501 0.851795 0.898055 Si\n0.869356 0.552157 0.726609 Si\n0.615272 0.720259 0.313287 Si\n0.213298 0.610155 0.041562 Si\n0.602694 0.381067 0.872773 Si\n0.793144 0.354762 0.452079 Si\n0.186724 0.547569 0.541987 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.499434440667917,
"density_atomic": 0.056299850620872005,
"volume": 497.33702116821564,
"volume_molar": 10.696548380836052,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -107.15231073,
"energy_per_atom": -3.826868240357143,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:15.120000Z",
"spacegroup": 1
},
{
"id": "mp-1073254",
"created_at": "2022-09-04T14:45:55.807104Z",
"structure_string": "Mg2 Si4\n1.0\n1.992262 4.900410 0.000000\n-1.992262 4.900410 0.000000\n0.000000 2.977163 5.536105\nMg Si\n2 4\ndirect\n0.148725 0.148725 0.713885 Mg\n0.851275 0.851275 0.286115 Mg\n0.853926 0.853926 0.720325 Si\n0.594823 0.594823 0.088104 Si\n0.405177 0.405177 0.911896 Si\n0.146074 0.146074 0.279675 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4724771808539896,
"density_atomic": 0.055505761770476544,
"volume": 108.096885955926,
"volume_molar": 10.84957771573756,
"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -23.89950379,
"energy_per_atom": -3.983250631666667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -24.18350379,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0004051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.751000Z",
"spacegroup": 12
},
{
"id": "mp-1074193",
"created_at": "2022-09-04T14:45:59.635839Z",
"structure_string": "Mg8 Si14\n1.0\n3.940863 0.000000 0.000000\n0.000000 6.934624 0.000000\n0.000000 0.360336 14.261517\nMg Si\n8 14\ndirect\n0.500000 0.910986 0.927796 Mg\n0.500000 0.619050 0.501395 Mg\n0.000000 0.792483 0.349774 Mg\n0.000000 0.431342 0.661095 Mg\n0.500000 0.435791 0.846429 Mg\n0.500000 0.507998 0.086876 Mg\n0.000000 0.308205 0.414361 Mg\n0.000000 0.939049 0.580202 Mg\n0.000000 0.618448 0.961021 Si\n0.000000 0.255575 0.977646 Si\n0.500000 0.124030 0.079940 Si\n0.000000 0.860107 0.094629 Si\n0.500000 0.244838 0.557824 Si\n0.500000 0.002276 0.442068 Si\n0.500000 0.804697 0.203561 Si\n0.000000 0.118798 0.817484 Si\n0.500000 0.741865 0.696365 Si\n0.000000 0.302298 0.213365 Si\n0.500000 0.507873 0.300519 Si\n0.000000 0.752346 0.801193 Si\n0.500000 0.105567 0.714118 Si\n0.500000 0.112754 0.275878 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5036767179602037,
"density_atomic": 0.05644723861884732,
"volume": 389.74448597126525,
"volume_molar": 10.66861888614911,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -84.83878503,
"energy_per_atom": -3.8563084104545453,
"energy_above_hull": null,
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"energy_uncorrected": -85.83278503,
"band_gap": 0.0,
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"total_magnetization": 0.000758,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.329000Z",
"spacegroup": 6
},
{
"id": "mp-1075045",
"created_at": "2022-09-04T14:45:59.206018Z",
"structure_string": "Mg6 Si8\n1.0\n3.724328 0.000000 0.000000\n-1.749847 8.464198 0.000000\n-0.079707 -4.219478 8.630354\nMg Si\n6 8\ndirect\n0.926802 0.438080 0.324103 Mg\n0.293107 0.134146 0.067071 Mg\n0.709186 0.969107 0.243551 Mg\n0.834783 0.211539 0.588795 Mg\n0.512663 0.577073 0.632250 Mg\n0.066782 0.690022 0.966055 Mg\n0.334684 0.236866 0.386180 Si\n0.429143 0.409809 0.832256 Si\n0.702852 0.966259 0.713745 Si\n0.619731 0.781734 0.437457 Si\n0.089706 0.725086 0.260571 Si\n0.863123 0.273155 0.904565 Si\n0.463109 0.491683 0.112534 Si\n0.147728 0.848729 0.784237 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2614728272608478,
"density_atomic": 0.0514595150886092,
"volume": 272.0585294263483,
"volume_molar": 11.702676851171939,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.7539845,
"energy_per_atom": -3.625284607142857,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -51.3219845,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.504000Z",
"spacegroup": 1
},
{
"id": "mp-1074720",
"created_at": "2022-09-04T14:45:55.256841Z",
"structure_string": "Mg8 Si4\n1.0\n5.756966 0.000000 0.000000\n0.000000 6.186947 0.000000\n0.000000 1.975134 6.937802\nMg Si\n8 4\ndirect\n0.882868 0.389598 0.052801 Mg\n0.300345 0.317641 0.374455 Mg\n0.301885 0.758248 0.497521 Mg\n0.407044 0.053204 0.088437 Mg\n0.801885 0.241752 0.502479 Mg\n0.907044 0.946796 0.911563 Mg\n0.382868 0.610402 0.947199 Mg\n0.800345 0.682359 0.625545 Mg\n0.160177 0.343459 0.735410 Si\n0.660177 0.656541 0.264590 Si\n0.945326 0.966394 0.280153 Si\n0.445326 0.033606 0.719847 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.0615174267352527,
"density_atomic": 0.0485611859650812,
"volume": 247.11093358858278,
"volume_molar": 12.401140211712146,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -33.78686668,
"energy_per_atom": -2.8155722233333336,
"energy_above_hull": null,
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"energy_uncorrected": -34.07086668,
"band_gap": 0.0,
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"total_magnetization": 0.0039541,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.522000Z",
"spacegroup": 4
},
{
"id": "mp-1073743",
"created_at": "2022-09-04T14:45:55.919697Z",
"structure_string": "Mg6 Si6\n1.0\n2.949274 0.000000 0.000000\n0.017812 5.036893 0.000000\n1.128422 0.624528 14.356637\nMg Si\n6 6\ndirect\n0.200185 0.074152 0.595016 Mg\n0.036882 0.782296 0.927456 Mg\n0.870068 0.487042 0.259981 Mg\n0.129932 0.512958 0.740019 Mg\n0.963118 0.217704 0.072544 Mg\n0.799815 0.925848 0.404984 Mg\n0.700320 0.590419 0.567612 Si\n0.554407 0.290756 0.900833 Si\n0.378705 0.994712 0.231798 Si\n0.621295 0.005288 0.768202 Si\n0.445593 0.709244 0.099167 Si\n0.299680 0.409581 0.432388 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.447497879140194,
"density_atomic": 0.0562666007886058,
"volume": 213.27039188104013,
"volume_molar": 10.702869332066541,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -40.77389171,
"energy_per_atom": -3.397824309166667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -41.19989171,
"band_gap": 0.0,
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"total_magnetization": 0.0001032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.677000Z",
"spacegroup": 2
},
{
"id": "mp-1100462",
"created_at": "2022-09-04T14:45:59.345993Z",
"structure_string": "Mg4 Si8\n1.0\n3.827583 0.000000 0.000000\n0.051604 6.408116 0.000000\n0.156486 2.126770 9.000931\nMg Si\n4 8\ndirect\n0.244143 0.003920 0.852473 Mg\n0.755857 0.996080 0.147527 Mg\n0.255967 0.208119 0.373718 Mg\n0.744033 0.791881 0.626282 Mg\n0.764445 0.431169 0.155748 Si\n0.738103 0.330013 0.891260 Si\n0.245151 0.449733 0.601453 Si\n0.253877 0.793612 0.368869 Si\n0.235555 0.568831 0.844252 Si\n0.261897 0.669987 0.108740 Si\n0.754849 0.550267 0.398547 Si\n0.746123 0.206388 0.631131 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.421213331373955,
"density_atomic": 0.05435491635976437,
"volume": 220.77119796440104,
"volume_molar": 11.07929358246207,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -46.98482752,
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"energy_above_hull": null,
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"energy_uncorrected": -47.55282752,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.794000Z",
"spacegroup": 2
},
{
"id": "mp-1073623",
"created_at": "2022-09-04T14:47:15.795513Z",
"structure_string": "Mg4 Si8\n1.0\n3.634309 0.000000 0.000000\n1.738314 5.735966 0.000000\n0.676768 0.776926 10.529650\nMg Si\n4 8\ndirect\n0.668106 0.505002 0.904386 Mg\n0.317988 0.127207 0.083076 Mg\n0.659653 0.584889 0.415051 Mg\n0.997473 0.817625 0.641178 Mg\n0.627118 0.464663 0.169297 Si\n0.978829 0.889159 0.914066 Si\n0.686703 0.413634 0.659733 Si\n0.990676 0.933932 0.334750 Si\n0.387987 0.121808 0.824442 Si\n0.015907 0.735701 0.140857 Si\n0.372262 0.202242 0.338639 Si\n0.297407 0.204056 0.574515 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.435191488186395,
"density_atomic": 0.054668718342662216,
"volume": 219.50395699391171,
"volume_molar": 11.01569771995269,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.82833876,
"energy_per_atom": -3.9856948966666668,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.216000Z",
"spacegroup": 1
},
{
"id": "mp-1074519",
"created_at": "2022-09-04T14:47:21.707045Z",
"structure_string": "Mg16 Si12\n1.0\n6.588608 0.000000 0.000000\n-2.054192 6.924735 0.000000\n-0.163564 -1.410851 12.161877\nMg Si\n16 12\ndirect\n0.596038 0.947615 0.906452 Mg\n0.642768 0.486073 0.890554 Mg\n0.098649 0.851206 0.460577 Mg\n0.175773 0.573251 0.266685 Mg\n0.075741 0.841901 0.898757 Mg\n0.026042 0.282447 0.879048 Mg\n0.568378 0.858566 0.400160 Mg\n0.369781 0.242683 0.368354 Mg\n0.373068 0.863370 0.663584 Mg\n0.323958 0.289649 0.671186 Mg\n0.918752 0.853375 0.211793 Mg\n0.823163 0.219738 0.304598 Mg\n0.964616 0.519154 0.673085 Mg\n0.877759 0.924283 0.674021 Mg\n0.565701 0.465316 0.155820 Mg\n0.435080 0.957810 0.155031 Mg\n0.658831 0.209070 0.542386 Si\n0.264219 0.547604 0.499659 Si\n0.338422 0.195345 0.990515 Si\n0.952610 0.564375 0.055182 Si\n0.326688 0.606759 0.812182 Si\n0.666865 0.188866 0.741136 Si\n0.771531 0.573731 0.352575 Si\n0.163758 0.202348 0.163624 Si\n0.642792 0.574236 0.536082 Si\n0.017226 0.199818 0.500981 Si\n0.319924 0.609754 0.013618 Si\n0.822820 0.208496 0.076480 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1723612595194024,
"density_atomic": 0.05046155124020123,
"volume": 554.877908265595,
"volume_molar": 11.934117386392073,
"formula_full": "Mg16 Si12",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -88.15777673,
"energy_per_atom": -3.148492026071428,
"energy_above_hull": null,
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"energy_uncorrected": -89.00977673,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.084000Z",
"spacegroup": 1
},
{
"id": "mp-1100444",
"created_at": "2022-09-04T14:47:21.745535Z",
"structure_string": "Mg8 Si14\n1.0\n2.010561 14.797419 0.000000\n-2.010561 14.797419 0.000000\n0.000000 0.550391 6.807664\nMg Si\n8 14\ndirect\n0.983159 0.983159 0.058207 Mg\n0.189081 0.189081 0.320829 Mg\n0.765759 0.765759 0.128006 Mg\n0.616461 0.616461 0.526828 Mg\n0.029252 0.029252 0.561289 Mg\n0.835951 0.835951 0.568937 Mg\n0.732422 0.732422 0.631831 Mg\n0.653998 0.653998 0.017666 Mg\n0.467222 0.467222 0.405512 Si\n0.461921 0.461921 0.762704 Si\n0.913777 0.913777 0.784949 Si\n0.922325 0.922325 0.395469 Si\n0.165201 0.165201 0.707103 Si\n0.220954 0.220954 0.940467 Si\n0.334191 0.334191 0.139422 Si\n0.541439 0.541439 0.862648 Si\n0.095854 0.095854 0.236450 Si\n0.879753 0.879753 0.115303 Si\n0.280124 0.280124 0.420973 Si\n0.542315 0.542315 0.228651 Si\n0.091880 0.091880 0.877678 Si\n0.299181 0.299181 0.812778 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.408945068367909,
"density_atomic": 0.05431144369335474,
"volume": 405.07116924037507,
"volume_molar": 11.08816181356055,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -85.20271142,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.842000Z",
"spacegroup": 8
},
{
"id": "mp-1074380",
"created_at": "2022-09-04T14:47:16.336685Z",
"structure_string": "Mg8 Si6\n1.0\n6.915700 -0.140192 -2.614594\n-2.940569 5.125214 -3.372481\n1.090889 2.400450 5.665698\nMg Si\n8 6\ndirect\n0.464485 0.894977 0.594311 Mg\n0.103561 0.223779 0.070943 Mg\n0.194898 0.627424 0.991041 Mg\n0.440506 0.398591 0.559580 Mg\n0.028629 0.563754 0.460100 Mg\n0.486195 0.079412 0.136818 Mg\n0.773188 0.399670 0.967773 Mg\n0.794620 0.844963 0.407040 Mg\n0.071643 0.239602 0.619505 Si\n0.733834 0.217698 0.537493 Si\n0.578921 0.727391 0.934055 Si\n0.499789 0.495591 0.169473 Si\n0.157112 0.962317 0.346059 Si\n0.922577 0.824743 0.955876 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.0922832520622214,
"density_atomic": 0.04860142762641163,
"volume": 288.0573819274382,
"volume_molar": 12.39087214945795,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -43.1797632,
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"energy_uncorrected": -43.6057632,
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"updated_at": "2021-11-28T01:38:05.314000Z",
"spacegroup": 1
},
{
"id": "mp-1075576",
"created_at": "2022-09-04T14:47:22.132809Z",
"structure_string": "Mg10 Si12\n1.0\n5.328655 0.000000 0.000000\n-0.582454 5.473857 0.000000\n-0.430569 -0.343457 13.722550\nMg Si\n10 12\ndirect\n0.023075 0.022094 0.995386 Mg\n0.605952 0.965358 0.419682 Mg\n0.312496 0.430356 0.352742 Mg\n0.619997 0.037743 0.639367 Mg\n0.927739 0.482003 0.870031 Mg\n0.291686 0.896930 0.200116 Mg\n0.110662 0.212105 0.536162 Mg\n0.117160 0.973114 0.747654 Mg\n0.467430 0.688346 0.994071 Mg\n0.839930 0.194528 0.230655 Mg\n0.575215 0.201309 0.048789 Si\n0.647831 0.894352 0.824186 Si\n0.575285 0.500733 0.545811 Si\n0.094335 0.874807 0.384549 Si\n0.958730 0.556260 0.076513 Si\n0.419290 0.230092 0.880873 Si\n0.421656 0.523142 0.742782 Si\n0.814814 0.493391 0.393986 Si\n0.314617 0.394593 0.157697 Si\n0.210154 0.733093 0.561809 Si\n0.921869 0.500140 0.671945 Si\n0.737334 0.695511 0.228823 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4065125024198832,
"density_atomic": 0.05496380729010919,
"volume": 400.2633930338907,
"volume_molar": 10.956556790569513,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -77.98275455999999,
"energy_per_atom": -3.544670661818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.83475456,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.949000Z",
"spacegroup": 1
}
]
}