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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=12123",
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"results": [
{
"id": "mp-720704",
"created_at": "2022-09-04T14:42:55.809204Z",
"structure_string": "Na1 Ca9 Sc1 Zn9 Si20 O60\n1.0\n4.494607 4.997591 0.000000\n-4.494607 4.997591 0.000000\n0.000000 2.836943 25.526244\nNa Ca Sc Zn Si O\n1 9 1 9 20 60\ndirect\n0.252805 0.747195 0.000000 Na\n0.747726 0.459165 0.898848 Ca\n0.451603 0.947294 0.799653 Ca\n0.948932 0.650841 0.700165 Ca\n0.651272 0.148959 0.600207 Ca\n0.148838 0.851162 0.500000 Ca\n0.851041 0.348728 0.399793 Ca\n0.349159 0.051068 0.299835 Ca\n0.052706 0.548397 0.200347 Ca\n0.540835 0.252274 0.101152 Ca\n0.863638 0.136362 0.000000 Sc\n0.152013 0.048502 0.899582 Zn\n0.057510 0.344646 0.800735 Zn\n0.343791 0.256880 0.700434 Zn\n0.256615 0.543595 0.600124 Zn\n0.543664 0.456336 0.500000 Zn\n0.456405 0.743385 0.399876 Zn\n0.743120 0.656209 0.299566 Zn\n0.655354 0.942490 0.199265 Zn\n0.951498 0.847987 0.100418 Zn\n0.242446 0.536288 0.897254 Si\n0.667549 0.949747 0.902974 Si\n0.531876 0.447756 0.797224 Si\n0.956241 0.866685 0.803194 Si\n0.445999 0.733295 0.696774 Si\n0.867172 0.154220 0.703580 Si\n0.733388 0.646119 0.596798 Si\n0.154309 0.067037 0.603480 Si\n0.646017 0.933218 0.496694 Si\n0.066782 0.353983 0.503306 Si\n0.932963 0.845691 0.396520 Si\n0.353881 0.266612 0.403202 Si\n0.845780 0.132828 0.296420 Si\n0.266705 0.554001 0.303226 Si\n0.133315 0.043759 0.196806 Si\n0.552244 0.468124 0.202776 Si\n0.050253 0.332451 0.097026 Si\n0.463712 0.757554 0.102746 Si\n0.335621 0.251361 0.995953 Si\n0.748639 0.664379 0.004047 Si\n0.373586 0.430229 0.948057 O\n0.130946 0.745491 0.914629 O\n0.097756 0.376835 0.879893 O\n0.815468 0.103108 0.921573 O\n0.456785 0.050277 0.883639 O\n0.426724 0.574089 0.849128 O\n0.772072 0.828175 0.850518 O\n0.743416 0.348374 0.816682 O\n0.380693 0.296980 0.779452 O\n0.102412 0.022499 0.820815 O\n0.058704 0.656409 0.783903 O\n0.570694 0.629771 0.749201 O\n0.829776 0.970050 0.751054 O\n0.344727 0.944335 0.716016 O\n0.297600 0.579570 0.679129 O\n0.020056 0.302808 0.721570 O\n0.656120 0.255193 0.684280 O\n0.629622 0.770919 0.649209 O\n0.970954 0.029623 0.651149 O\n0.944237 0.544977 0.616188 O\n0.579956 0.497475 0.579076 O\n0.302788 0.220477 0.621280 O\n0.255301 0.856027 0.584131 O\n0.770854 0.829486 0.549123 O\n0.029475 0.170724 0.551036 O\n0.544973 0.144151 0.516077 O\n0.497364 0.779816 0.478943 O\n0.220184 0.502636 0.521057 O\n0.855849 0.455027 0.483923 O\n0.829276 0.970525 0.448964 O\n0.170514 0.229146 0.450877 O\n0.143973 0.744699 0.415869 O\n0.779523 0.697212 0.378720 O\n0.502525 0.420044 0.420924 O\n0.455023 0.055763 0.383812 O\n0.970377 0.029046 0.348851 O\n0.229081 0.370378 0.350791 O\n0.744807 0.343880 0.315720 O\n0.697192 0.979944 0.278430 O\n0.420430 0.702400 0.320871 O\n0.055665 0.655273 0.283984 O\n0.029950 0.170224 0.248946 O\n0.370229 0.429306 0.250799 O\n0.343591 0.941296 0.216097 O\n0.977501 0.897588 0.179185 O\n0.703020 0.619307 0.220548 O\n0.651626 0.256584 0.183318 O\n0.171825 0.227928 0.149482 O\n0.425911 0.573276 0.150872 O\n0.949723 0.543215 0.116361 O\n0.896892 0.184532 0.078427 O\n0.623165 0.902244 0.120107 O\n0.254509 0.869054 0.085371 O\n0.233769 0.363615 0.049878 O\n0.569771 0.626414 0.051943 O\n0.550883 0.151890 0.014212 O\n0.177541 0.105300 0.978698 O\n0.894700 0.822459 0.021302 O\n0.848110 0.449117 0.985788 O\n0.636385 0.766231 0.950122 O\n",
"nsites": 100,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Sc",
"Zn",
"Si",
"O"
],
"chemical_system": "Ca-Na-O-Sc-Si-Zn",
"density": 3.6765706032484107,
"density_atomic": 0.08720284487186705,
"volume": 1146.7515784254133,
"volume_molar": 6.905899422030018,
"formula_full": "Na1 Ca9 Sc1 Zn9 Si20 O60",
"formula_reduced": "NaCa9ScZn9(SiO3)20",
"formula_anonymous": "ABC9D9E20F60",
"energy": -748.2145487700001,
"energy_per_atom": -7.4821454877,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -706.99454877,
"band_gap": 4.0948,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040352,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.693000Z",
"spacegroup": 5
},
{
"id": "mp-1245039",
"created_at": "2022-09-04T14:42:55.836042Z",
"structure_string": "Mg40 O40\n1.0\n9.735118 0.305524 -0.174677\n0.333557 10.453461 0.220825\n-0.166127 0.235049 8.976262\nMg O\n40 40\ndirect\n0.549554 0.768094 0.116459 Mg\n0.240084 0.619449 0.680707 Mg\n0.849022 0.390367 0.958419 Mg\n0.542005 0.871968 0.555288 Mg\n0.357782 0.387847 0.542700 Mg\n0.226584 0.768705 0.103543 Mg\n0.538396 0.318899 0.863702 Mg\n0.542662 0.602673 0.704194 Mg\n0.217659 0.180536 0.408458 Mg\n0.788734 0.876334 0.676314 Mg\n0.244550 0.352471 0.837142 Mg\n0.239443 0.891631 0.555205 Mg\n0.950385 0.629940 0.659300 Mg\n0.054271 0.945763 0.254804 Mg\n0.088202 0.566322 0.968097 Mg\n0.899126 0.634153 0.199674 Mg\n0.038597 0.220036 0.135950 Mg\n0.877207 0.893032 0.982111 Mg\n0.743645 0.639880 0.894002 Mg\n0.367192 0.966235 0.263187 Mg\n0.851633 0.115000 0.463035 Mg\n0.725665 0.890120 0.295064 Mg\n0.573978 0.032453 0.940647 Mg\n0.393548 0.555473 0.975563 Mg\n0.674972 0.358543 0.613690 Mg\n0.691510 0.247669 0.146131 Mg\n0.085142 0.693701 0.396590 Mg\n0.398805 0.830358 0.832772 Mg\n0.355821 0.275603 0.125851 Mg\n0.560604 0.132882 0.482101 Mg\n0.565656 0.502294 0.235654 Mg\n0.246686 0.497938 0.253064 Mg\n0.029943 0.329766 0.678053 Mg\n0.833866 0.381144 0.379305 Mg\n0.368144 0.114270 0.700214 Mg\n0.076430 0.858132 0.801455 Mg\n0.383216 0.701067 0.391612 Mg\n0.723381 0.635023 0.435739 Mg\n0.236749 0.039754 0.970232 Mg\n0.854253 0.160916 0.811303 Mg\n0.695717 0.914676 0.074405 O\n0.532053 0.376367 0.083001 O\n0.086474 0.495823 0.752343 O\n0.023765 0.112583 0.352449 O\n0.395342 0.749115 0.614135 O\n0.259124 0.564005 0.463996 O\n0.527674 0.835433 0.335079 O\n0.691486 0.718826 0.620549 O\n0.225713 0.842935 0.332754 O\n0.894705 0.751791 0.827550 O\n0.104223 0.633064 0.185329 O\n0.894792 0.553848 0.009854 O\n0.374905 0.043658 0.472975 O\n0.238308 0.427186 0.037754 O\n0.233562 0.124918 0.171298 O\n0.916153 0.553767 0.445786 O\n0.237869 0.968270 0.757989 O\n0.697331 0.457399 0.796560 O\n0.393366 0.474569 0.760909 O\n0.378522 0.189494 0.914111 O\n0.077357 0.920515 0.035111 O\n0.694868 0.186895 0.940128 O\n0.388872 0.904871 0.049268 O\n0.916719 0.816600 0.294477 O\n0.540905 0.681791 0.911298 O\n0.689561 0.217322 0.357141 O\n0.904241 0.991734 0.776431 O\n0.714158 0.980047 0.492702 O\n0.399270 0.624475 0.188587 O\n0.089280 0.763623 0.603350 O\n0.696897 0.642039 0.215695 O\n0.215698 0.262153 0.626992 O\n0.870531 0.327365 0.174754 O\n0.532706 0.964034 0.747801 O\n0.619977 0.480619 0.451287 O\n0.324814 0.326501 0.335791 O\n0.235148 0.697539 0.895982 O\n0.517336 0.253040 0.639992 O\n0.001647 0.258594 0.902512 O\n0.859909 0.268121 0.595210 O\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 2.9362748446515363,
"density_atomic": 0.08774555845341668,
"volume": 911.7270595806997,
"volume_molar": 6.8631858593698505,
"formula_full": "Mg40 O40",
"formula_reduced": "MgO",
"formula_anonymous": "AB",
"energy": -485.85440462,
"energy_per_atom": -6.07318005775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -458.37440462000006,
"band_gap": 1.9229000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032762,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.165000Z",
"spacegroup": 1
},
{
"id": "mp-691164",
"created_at": "2022-09-04T14:42:55.842068Z",
"structure_string": "Li6 Mn4 O8\n1.0\n4.215423 4.196275 0.000000\n-4.215423 4.196275 0.000000\n0.000000 4.185975 4.806640\nLi Mn O\n6 4 8\ndirect\n0.866034 0.133966 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.133966 0.866034 0.750000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.267368 0.739570 0.503394 O\n0.746641 0.758682 0.470688 O\n0.241318 0.253359 0.029312 O\n0.739570 0.267368 0.003394 O\n0.758682 0.746641 0.970688 O\n0.260430 0.732632 0.996606 O\n0.732632 0.260430 0.496606 O\n0.253359 0.241318 0.529312 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.802427717171241,
"density_atomic": 0.1058512060754582,
"volume": 170.05002273822305,
"volume_molar": 5.689250962059888,
"formula_full": "Li6 Mn4 O8",
"formula_reduced": "Li3Mn2O4",
"formula_anonymous": "A2B3C4",
"energy": -121.96336186,
"energy_per_atom": -6.775742325555556,
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"updated_at": "2021-11-28T01:35:56.847000Z",
"spacegroup": 15
},
{
"id": "mp-1192393",
"created_at": "2022-09-04T14:42:55.864159Z",
"structure_string": "Sr14 Sn3 As12\n1.0\n6.955916 -6.606146 0.000000\n6.955916 6.606146 0.000000\n0.681951 0.000000 9.568745\nSr Sn As\n14 3 12\ndirect\n0.413362 0.270968 0.774039 Sr\n0.774039 0.413362 0.270968 Sr\n0.270968 0.774039 0.413362 Sr\n0.988670 0.537454 0.652844 Sr\n0.652844 0.988670 0.537454 Sr\n0.537454 0.652844 0.988670 Sr\n0.174396 0.535834 0.020900 Sr\n0.020900 0.174396 0.535834 Sr\n0.535834 0.020900 0.174396 Sr\n0.763943 0.265877 0.909126 Sr\n0.909126 0.763943 0.265877 Sr\n0.265877 0.909126 0.763943 Sr\n0.187449 0.187449 0.187449 Sr\n0.400713 0.400713 0.400713 Sr\n0.000327 0.000327 0.000327 Sn\n0.836075 0.836075 0.836075 Sn\n0.610113 0.610113 0.610113 Sn\n0.703398 0.329208 0.587880 As\n0.587880 0.703398 0.329208 As\n0.329208 0.587880 0.703398 As\n0.586025 0.968471 0.859306 As\n0.859306 0.586025 0.968471 As\n0.968471 0.859306 0.586025 As\n0.473123 0.342426 0.084440 As\n0.084440 0.473123 0.342426 As\n0.342426 0.084440 0.473123 As\n0.097263 0.226100 0.854999 As\n0.854999 0.097263 0.226100 As\n0.226100 0.854999 0.097263 As\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Sn",
"As"
],
"chemical_system": "As-Sn-Sr",
"density": 4.686412510872756,
"density_atomic": 0.032976952954650446,
"volume": 879.402049057731,
"volume_molar": 18.261665255372694,
"formula_full": "Sr14 Sn3 As12",
"formula_reduced": "Sr14(SnAs4)3",
"formula_anonymous": "A3B12C14",
"energy": -121.14200494000002,
"energy_per_atom": -4.177310515172414,
"energy_above_hull": null,
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"energy_uncorrected": -121.14200494000002,
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"updated_at": "2021-11-28T01:35:56.686000Z",
"spacegroup": 146
},
{
"id": "mp-11489",
"created_at": "2022-09-04T14:42:55.870271Z",
"structure_string": "Li3 Pd1\n1.0\n0.000000 3.091336 3.091336\n3.091336 0.000000 3.091336\n3.091336 3.091336 0.000000\nLi Pd\n3 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
"Li",
"Pd"
],
"chemical_system": "Li-Pd",
"density": 3.5761388051643435,
"density_atomic": 0.06770041973056365,
"volume": 59.083828666341084,
"volume_molar": 8.895278321710727,
"formula_full": "Li3 Pd1",
"formula_reduced": "Li3Pd",
"formula_anonymous": "AB3",
"energy": -12.13149113,
"energy_per_atom": -3.0328727825,
"energy_above_hull": null,
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"energy_uncorrected": -12.13149113,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:53.659000Z",
"spacegroup": 225
},
{
"id": "mp-782644",
"created_at": "2022-09-04T14:42:55.882807Z",
"structure_string": "Li2 Mn6 B6 O18\n1.0\n6.185274 0.000000 0.000000\n-1.016582 7.653357 0.000000\n-2.745900 -3.659507 7.816592\nLi Mn B O\n2 6 6 18\ndirect\n0.334842 0.004104 0.389332 Li\n0.663757 0.334254 0.058243 Li\n0.349827 0.605422 0.598801 Mn\n0.300468 0.034462 0.727353 Mn\n0.037379 0.281343 0.936734 Mn\n0.968430 0.704773 0.040868 Mn\n0.715832 0.961675 0.270299 Mn\n0.647314 0.400381 0.408298 Mn\n0.707904 0.961336 0.940125 B\n0.597368 0.360795 0.722109 B\n0.961650 0.692954 0.377088 B\n0.051261 0.301358 0.617452 B\n0.377112 0.642335 0.277328 B\n0.297859 0.041815 0.064214 B\n0.533167 0.893826 0.776494 O\n0.386239 0.520645 0.365058 O\n0.842047 0.145558 0.027407 O\n0.333711 0.155584 0.976532 O\n0.745967 0.428238 0.891866 O\n0.117300 0.745603 0.544319 O\n0.456594 0.176625 0.627815 O\n0.790358 0.520710 0.289956 O\n0.993601 0.819620 0.303877 O\n0.049293 0.165954 0.687765 O\n0.213845 0.475324 0.707033 O\n0.519151 0.821751 0.357966 O\n0.873854 0.252253 0.459832 O\n0.202334 0.567877 0.112901 O\n0.718901 0.832632 0.017001 O\n0.141284 0.864954 0.972964 O\n0.610553 0.482577 0.637650 O\n0.434289 0.113780 0.236797 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1250571687356037,
"density_atomic": 0.0864811825189506,
"volume": 370.02269242777584,
"volume_molar": 6.9635273068570385,
"formula_full": "Li2 Mn6 B6 O18",
"formula_reduced": "LiMn3(BO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -264.60987451,
"energy_per_atom": -8.2690585784375,
"energy_above_hull": null,
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"energy_uncorrected": -242.23587451,
"band_gap": 0.419,
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"updated_at": "2021-11-28T01:35:57.373000Z",
"spacegroup": 1
},
{
"id": "mp-1183154",
"created_at": "2022-09-04T14:42:55.909237Z",
"structure_string": "Al1 Pb1 O3\n1.0\n3.834480 0.000000 0.000000\n0.000000 3.834480 0.000000\n0.000000 0.000000 3.834480\nAl Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
"Al",
"Pb",
"O"
],
"chemical_system": "Al-O-Pb",
"density": 8.311042316450266,
"density_atomic": 0.08868508234785834,
"volume": 56.3792677148114,
"volume_molar": 6.790477722486355,
"formula_full": "Al1 Pb1 O3",
"formula_reduced": "AlPbO3",
"formula_anonymous": "ABC3",
"energy": -33.25869943,
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"energy_above_hull": null,
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"energy_uncorrected": -31.19769943,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.289000Z",
"spacegroup": 221
},
{
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