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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11468",
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"results": [
{
"id": "mp-754287",
"created_at": "2022-09-04T14:46:57.874525Z",
"structure_string": "V4 O7 F5\n1.0\n5.239171 0.000000 0.000000\n2.520765 4.692523 0.000000\n2.366310 1.536856 8.583949\nV O F\n4 7 5\ndirect\n0.211459 0.260539 0.268685 V\n0.457445 0.511486 0.496153 V\n0.704602 0.745140 0.760181 V\n0.958047 0.021249 0.020201 V\n0.116683 0.647351 0.586461 O\n0.094578 0.080323 0.151853 O\n0.601281 0.156373 0.084859 O\n0.608946 0.593833 0.656617 O\n0.427668 0.405223 0.341100 O\n0.424712 0.838918 0.902358 O\n0.924412 0.341063 0.408304 O\n0.050795 0.621820 0.113037 F\n0.462693 0.872380 0.377517 F\n0.574325 0.122612 0.624402 F\n0.955552 0.374855 0.874196 F\n0.926800 0.906835 0.834076 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.23202411231609,
"density_atomic": 0.07581652422504204,
"volume": 211.03578888037754,
"volume_molar": 7.943045162720477,
"formula_full": "V4 O7 F5",
"formula_reduced": "V4O7F5",
"formula_anonymous": "A4B5C7",
"energy": -120.93486814,
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"energy_uncorrected": -107.01586814,
"band_gap": 1.2834,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0013241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.891000Z",
"spacegroup": 1
},
{
"id": "mp-1073164",
"created_at": "2022-09-04T14:46:57.755397Z",
"structure_string": "Mg8 Si12\n1.0\n3.684753 0.000000 0.000000\n0.064364 5.292363 0.000000\n1.309044 0.578036 20.021744\nMg Si\n8 12\ndirect\n0.736508 0.056365 0.218103 Mg\n0.440532 0.842699 0.785305 Mg\n0.294366 0.834237 0.075504 Mg\n0.905366 0.058352 0.929346 Mg\n0.961523 0.382510 0.725064 Mg\n0.209874 0.552947 0.281122 Mg\n0.074130 0.517632 0.567058 Mg\n0.652232 0.770289 0.425395 Mg\n0.350929 0.320135 0.015052 Si\n0.857273 0.578581 0.985149 Si\n0.264812 0.327171 0.135941 Si\n0.920736 0.560449 0.862472 Si\n0.036065 0.998291 0.638386 Si\n0.194675 0.024721 0.329188 Si\n0.098462 0.023025 0.517413 Si\n0.606514 0.275989 0.483435 Si\n0.533190 0.720203 0.657667 Si\n0.680932 0.281531 0.362187 Si\n0.748910 0.581245 0.170761 Si\n0.432761 0.293608 0.835434 Si\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2602926555835103,
"density_atomic": 0.05122359863254487,
"volume": 390.4450396675765,
"volume_molar": 11.756574939609648,
"formula_full": "Mg8 Si12",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -76.3209988,
"energy_per_atom": -3.81604994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.1729988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.503000Z",
"spacegroup": 1
},
{
"id": "mp-1245018",
"created_at": "2022-09-04T14:46:57.713293Z",
"structure_string": "Ga32 O48\n1.0\n10.248523 0.072795 0.349489\n0.076661 10.237193 0.041017\n0.346341 0.039857 10.057005\nGa O\n32 48\ndirect\n0.249321 0.803865 0.036090 Ga\n0.621872 0.365259 0.772721 Ga\n0.362151 0.852612 0.326539 Ga\n0.156969 0.043173 0.211909 Ga\n0.516454 0.626364 0.784735 Ga\n0.026456 0.398281 0.668431 Ga\n0.801911 0.675911 0.903337 Ga\n0.971427 0.769979 0.129338 Ga\n0.904972 0.887969 0.661274 Ga\n0.611800 0.944213 0.220821 Ga\n0.776404 0.160437 0.577185 Ga\n0.379892 0.168001 0.330374 Ga\n0.850668 0.501928 0.233823 Ga\n0.812706 0.594691 0.592491 Ga\n0.656032 0.326928 0.350847 Ga\n0.154855 0.925874 0.527231 Ga\n0.392972 0.873983 0.758020 Ga\n0.548627 0.350008 0.085754 Ga\n0.312293 0.343557 0.878554 Ga\n0.077508 0.531843 0.929260 Ga\n0.441467 0.063065 0.993122 Ga\n0.356086 0.127470 0.662012 Ga\n0.076660 0.646260 0.410834 Ga\n0.635656 0.854942 0.534772 Ga\n0.147501 0.364146 0.185978 Ga\n0.539018 0.658365 0.093159 Ga\n0.850793 0.314127 0.020965 Ga\n0.989146 0.141512 0.775675 Ga\n0.783484 0.993275 0.981138 Ga\n0.628531 0.625224 0.371918 Ga\n0.347399 0.564585 0.298445 Ga\n0.860197 0.089497 0.264987 Ga\n0.358381 0.742570 0.878485 O\n0.132694 0.501514 0.754212 O\n0.724543 0.384139 0.168488 O\n0.684446 0.529117 0.712202 O\n0.526416 0.774529 0.667724 O\n0.449215 0.024299 0.225642 O\n0.477155 0.542630 0.411055 O\n0.605113 0.969451 0.027621 O\n0.853134 0.725697 0.728820 O\n0.024413 0.803997 0.513586 O\n0.752060 0.180986 0.394410 O\n0.241901 0.212322 0.219612 O\n0.763914 0.972615 0.573991 O\n0.780514 0.929791 0.254837 O\n0.855277 0.821129 0.002941 O\n0.746720 0.473715 0.405842 O\n0.254618 0.711849 0.398675 O\n0.051097 0.999452 0.670493 O\n0.408333 0.192868 0.501937 O\n0.238180 0.234081 0.758501 O\n0.183903 0.490230 0.310945 O\n0.245204 0.988878 0.372647 O\n0.951706 0.648302 0.269674 O\n0.018238 0.101235 0.321957 O\n0.106221 0.872545 0.172874 O\n0.618689 0.676387 0.925904 O\n0.842888 0.029779 0.809391 O\n0.968686 0.368037 0.170621 O\n0.384370 0.751287 0.163592 O\n0.430100 0.246330 0.988386 O\n0.276426 0.989318 0.031938 O\n0.938632 0.245716 0.624355 O\n0.447949 0.504757 0.123218 O\n0.107358 0.692205 0.006897 O\n0.976469 0.523647 0.535454 O\n0.537295 0.843258 0.381431 O\n0.453328 0.038978 0.799445 O\n0.304700 0.946620 0.622001 O\n0.680494 0.326013 0.938101 O\n0.452817 0.453201 0.804670 O\n0.981297 0.288161 0.879560 O\n0.892661 0.534792 0.972291 O\n0.633272 0.248537 0.641243 O\n0.737977 0.713376 0.480935 O\n0.514809 0.278502 0.261035 O\n0.198953 0.420646 0.009649 O\n0.680850 0.664092 0.196319 O\n0.842000 0.132049 0.081935 O\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Ga",
"O"
],
"chemical_system": "Ga-O",
"density": 4.725739099939927,
"density_atomic": 0.07591343467738346,
"volume": 1053.831911834626,
"volume_molar": 7.932905138060034,
"formula_full": "Ga32 O48",
"formula_reduced": "Ga2O3",
"formula_anonymous": "A2B3",
"energy": -501.95040874,
"energy_per_atom": -6.27438010925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -468.97440874,
"band_gap": 2.0229,
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"is_magnetic": false,
"total_magnetization": 0.0005756,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.033000Z",
"spacegroup": 1
},
{
"id": "mp-1100938",
"created_at": "2022-09-04T14:46:57.733174Z",
"structure_string": "V6 Ga3 O15\n1.0\n5.012940 -0.137478 -0.812197\n-0.373087 7.448424 -2.985322\n-1.029128 -2.122798 9.252382\nV Ga O\n6 3 15\ndirect\n0.005584 0.006129 0.004911 V\n0.178445 0.389926 0.387037 V\n0.164495 0.683675 0.043164 V\n0.580376 0.952661 0.694132 V\n0.629364 0.046723 0.298671 V\n0.802683 0.583259 0.619162 V\n0.166388 0.246077 0.660821 Ga\n0.904881 0.345018 0.005421 Ga\n0.797827 0.727351 0.336362 Ga\n0.920490 0.011007 0.473473 O\n0.943714 0.125045 0.244516 O\n0.181908 0.315162 0.159142 O\n0.116313 0.384073 0.884442 O\n0.111838 0.432035 0.600129 O\n0.448018 0.675058 0.555941 O\n0.450283 0.793257 0.271053 O\n0.342293 0.918865 0.067269 O\n0.659980 0.118067 0.943437 O\n0.502753 0.157343 0.677818 O\n0.545495 0.321337 0.451577 O\n0.890229 0.561452 0.411773 O\n0.855933 0.611248 0.116011 O\n0.856175 0.686558 0.849999 O\n0.944537 0.908674 0.743738 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"Ga",
"O"
],
"chemical_system": "Ga-O-V",
"density": 4.096903140777032,
"density_atomic": 0.07844780039147878,
"volume": 305.9359201944807,
"volume_molar": 7.676621562297038,
"formula_full": "V6 Ga3 O15",
"formula_reduced": "V2GaO5",
"formula_anonymous": "AB2C5",
"energy": -191.72414047,
"energy_per_atom": -7.988505852916667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -171.21914047,
"band_gap": 0.8891,
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"is_magnetic": true,
"total_magnetization": 8.9999412,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.835000Z",
"spacegroup": 1
},
{
"id": "mp-686019",
"created_at": "2022-09-04T14:46:57.746888Z",
"structure_string": "Y8 Ti8 O28\n1.0\n7.365875 0.000000 0.000000\n0.106110 7.396670 0.000000\n0.209573 0.717184 10.670669\nY Ti O\n8 8 28\ndirect\n0.008541 0.995787 0.005491 Y\n0.721625 0.255618 0.754331 Y\n0.984531 0.030319 0.510634 Y\n0.290556 0.215792 0.242029 Y\n0.225911 0.761847 0.763269 Y\n0.476017 0.993379 0.528390 Y\n0.515183 0.500096 0.006319 Y\n0.802248 0.698234 0.245915 Y\n0.521296 0.945343 0.018520 Ti\n0.701927 0.730733 0.724960 Ti\n0.756726 0.212008 0.244971 Ti\n0.014591 0.475794 0.985678 Ti\n0.978221 0.538273 0.565629 Ti\n0.236701 0.724460 0.326171 Ti\n0.261416 0.279865 0.716110 Ti\n0.539296 0.503367 0.463694 Ti\n0.296498 0.036170 0.071313 O\n0.601786 0.108494 0.359448 O\n0.816103 0.995014 0.160203 O\n0.724498 0.995981 0.646679 O\n0.727064 0.532679 0.606070 O\n0.990887 0.198771 0.320861 O\n0.026350 0.275497 0.874633 O\n0.042734 0.721733 0.929558 O\n0.971708 0.285178 0.601409 O\n0.196648 0.516215 0.660050 O\n0.219947 0.424070 0.070664 O\n0.244452 0.959465 0.394622 O\n0.219811 0.033686 0.667072 O\n0.420686 0.307838 0.838325 O\n0.458886 0.289868 0.590508 O\n0.447799 0.794298 0.898073 O\n0.542945 0.741492 0.401204 O\n0.552457 0.268797 0.137585 O\n0.560029 0.738239 0.124537 O\n0.729285 0.542399 0.850736 O\n0.714004 0.440387 0.358491 O\n0.843962 0.458923 0.111653 O\n0.111212 0.750558 0.190788 O\n0.005484 0.690074 0.418801 O\n0.955208 0.751950 0.660949 O\n0.320321 0.477008 0.363597 O\n0.478403 0.737500 0.652245 O\n0.718158 0.042882 0.916257 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
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"Ti",
"O"
],
"chemical_system": "O-Ti-Y",
"density": 4.4048181673643,
"density_atomic": 0.07568336622325746,
"volume": 581.3694897000871,
"volume_molar": 7.957020228507488,
"formula_full": "Y8 Ti8 O28",
"formula_reduced": "Y2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy": -412.60283565,
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"updated_at": "2021-11-28T01:37:51.647000Z",
"spacegroup": 1
},
{
"id": "mp-1218781",
"created_at": "2022-09-04T14:46:57.826740Z",
"structure_string": "Sr2 La2 Mg1 Ti3 O12\n1.0\n5.591715 0.000000 0.000000\n0.005727 5.610773 0.000000\n0.006073 0.005145 7.883132\nSr La Mg Ti O\n2 2 1 3 12\ndirect\n0.492035 0.500690 0.245017 Sr\n0.007447 0.003952 0.754902 Sr\n0.981453 0.986561 0.236515 La\n0.511239 0.496252 0.762554 La\n0.497890 0.999832 0.999061 Mg\n0.998261 0.499039 0.501106 Ti\n0.495394 0.000201 0.497909 Ti\n0.001395 0.498585 0.000203 Ti\n0.225728 0.759703 0.035946 O\n0.749260 0.744681 0.464406 O\n0.756670 0.250591 0.537147 O\n0.260933 0.276434 0.964908 O\n0.762745 0.254213 0.967967 O\n0.267176 0.269063 0.537259 O\n0.231295 0.766385 0.462257 O\n0.751083 0.737694 0.032371 O\n0.001899 0.424471 0.254605 O\n0.511168 0.054002 0.261163 O\n0.996754 0.557018 0.745965 O\n0.500173 0.920634 0.738739 O\n",
"nsites": 20,
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"elements": [
"Sr",
"La",
"Mg",
"Ti",
"O"
],
"chemical_system": "La-Mg-O-Sr-Ti",
"density": 5.458160080015352,
"density_atomic": 0.08086553617404298,
"volume": 247.32415001806172,
"volume_molar": 7.44710422378062,
"formula_full": "Sr2 La2 Mg1 Ti3 O12",
"formula_reduced": "Sr2La2MgTi3O12",
"formula_anonymous": "AB2C2D3E12",
"energy": -169.93289822000003,
"energy_per_atom": -8.496644911,
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"band_gap": 1.95,
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"updated_at": "2021-11-28T01:37:46.158000Z",
"spacegroup": 1
},
{
"id": "mp-686635",
"created_at": "2022-09-04T14:46:57.904263Z",
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{
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{
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{
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}