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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=126",
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"results": [
{
"id": "mp-1093818",
"created_at": "2022-09-04T14:45:16.423123Z",
"structure_string": "Li1 Cd2 Ir1\n1.0\n-5.439470 5.741305 8.115416\n5.439470 -5.741305 8.115416\n5.439470 5.741305 -8.115416\nLi Cd Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.252124 0.252124 Cd\n0.000000 0.747876 0.747876 Cd\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-Li",
"density": 0.6944747899268586,
"density_atomic": 0.003945681344078739,
"volume": 1013.766609917138,
"volume_molar": 152.62613056772543,
"formula_full": "Li1 Cd2 Ir1",
"formula_reduced": "LiCd2Ir",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:55.102000Z",
"spacegroup": 71
},
{
"id": "mp-971934",
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"structure_string": "Zn3 In1\n1.0\n-2.109865 2.109865 4.094772\n2.109865 -2.109865 4.094772\n2.109865 2.109865 -4.094772\nZn In\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"In"
],
"chemical_system": "In-Zn",
"density": 7.083913836960168,
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"volume": 72.91200681687529,
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"formula_full": "Zn3 In1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.760000Z",
"spacegroup": 139
},
{
"id": "mp-542",
"created_at": "2022-09-04T14:45:56.986980Z",
"structure_string": "Sr1 Hg1\n1.0\n4.027534 0.000000 0.000000\n0.000000 4.027534 0.000000\n0.000000 0.000000 4.027534\nSr Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
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"elements": [
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"Hg"
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"density": 7.325554382616935,
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"volume": 65.33075032797991,
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"formula_full": "Sr1 Hg1",
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"formula_anonymous": "AB",
"energy": -3.0536888,
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"updated_at": "2021-11-28T01:37:08.285000Z",
"spacegroup": 221
},
{
"id": "mp-1094433",
"created_at": "2022-09-04T14:44:56.961313Z",
"structure_string": "Mg3 Zn1\n1.0\n-2.227952 2.227952 4.116959\n2.227952 -2.227952 4.116959\n2.227952 2.227952 -4.116959\nMg Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Zn",
"density": 2.8099490376955756,
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"volume": 81.74255218405952,
"volume_molar": 12.306628883351296,
"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy": -6.10788581,
"energy_per_atom": -1.5269714525,
"energy_above_hull": null,
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"energy_uncorrected": -6.10788581,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:50.834000Z",
"spacegroup": 139
},
{
"id": "mp-1026674",
"created_at": "2022-09-04T14:42:43.333084Z",
"structure_string": "Na1 Sr1 Mg14\n1.0\n6.666898 0.000000 -0.000000\n-3.333449 5.773703 0.000000\n-0.000000 0.000000 10.516620\nNa Sr Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Na\n0.166667 0.333333 0.625000 Sr\n0.168992 0.834496 0.125000 Mg\n0.173521 0.836760 0.625000 Mg\n0.665504 0.331008 0.125000 Mg\n0.663240 0.326479 0.625000 Mg\n0.665504 0.834496 0.125000 Mg\n0.663240 0.836760 0.625000 Mg\n0.338414 0.161586 0.369632 Mg\n0.338414 0.161586 0.880368 Mg\n0.338414 0.676829 0.369632 Mg\n0.338414 0.676829 0.880368 Mg\n0.823171 0.161586 0.369632 Mg\n0.823171 0.161586 0.880368 Mg\n0.833333 0.666667 0.377649 Mg\n0.833333 0.666667 0.872351 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Mg"
],
"chemical_system": "Mg-Na-Sr",
"density": 1.8495045935082763,
"density_atomic": 0.03952442406545216,
"volume": 404.81298281548936,
"volume_molar": 15.236504774939615,
"formula_full": "Na1 Sr1 Mg14",
"formula_reduced": "NaSrMg14",
"formula_anonymous": "ABC14",
"energy": -24.43436934,
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"band_gap": 0.0,
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"total_magnetization": 6.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.428000Z",
"spacegroup": 187
},
{
"id": "mp-1202230",
"created_at": "2022-09-04T14:39:23.628279Z",
"structure_string": "Yb12 Zn68\n1.0\n-7.061458 7.061458 7.061458\n7.061458 -7.061458 7.061458\n7.061458 7.061458 -7.061458\nYb Zn\n12 68\ndirect\n0.301962 0.117905 0.815944 Yb\n0.698038 0.882095 0.184056 Yb\n0.698038 0.513982 0.815944 Yb\n0.301962 0.486018 0.184056 Yb\n0.117905 0.815944 0.301962 Yb\n0.882095 0.184056 0.698038 Yb\n0.513982 0.815944 0.698038 Yb\n0.486018 0.184056 0.301962 Yb\n0.815944 0.301962 0.117905 Yb\n0.184056 0.698038 0.882095 Yb\n0.815944 0.698038 0.513982 Yb\n0.184056 0.301962 0.486018 Yb\n0.591082 0.000000 0.591082 Zn\n0.408918 0.000000 0.408918 Zn\n0.000000 0.591082 0.591082 Zn\n0.000000 0.408918 0.408918 Zn\n0.591082 0.591082 0.000000 Zn\n0.408918 0.408918 0.000000 Zn\n0.306190 0.500000 0.806190 Zn\n0.693810 0.500000 0.193810 Zn\n0.500000 0.806190 0.306190 Zn\n0.500000 0.193810 0.693810 Zn\n0.806190 0.306190 0.500000 Zn\n0.193810 0.693810 0.500000 Zn\n0.000000 0.000000 0.674285 Zn\n0.674285 0.000000 0.000000 Zn\n0.000000 0.674285 0.000000 Zn\n0.325715 0.325715 0.325715 Zn\n0.000000 0.000000 0.325715 Zn\n0.325715 0.000000 0.000000 Zn\n0.000000 0.325715 0.000000 Zn\n0.674285 0.674285 0.674285 Zn\n0.092086 0.857904 0.765818 Zn\n0.907914 0.142096 0.234182 Zn\n0.907914 0.673732 0.765818 Zn\n0.092086 0.326268 0.234182 Zn\n0.857904 0.765818 0.092086 Zn\n0.142096 0.234182 0.907914 Zn\n0.673732 0.765818 0.907914 Zn\n0.326268 0.234182 0.092086 Zn\n0.765818 0.092086 0.857904 Zn\n0.234182 0.907914 0.142096 Zn\n0.765818 0.907914 0.673732 Zn\n0.234182 0.092086 0.326268 Zn\n0.348576 0.944942 0.596366 Zn\n0.651424 0.055058 0.403634 Zn\n0.651424 0.247789 0.596366 Zn\n0.348576 0.752211 0.403634 Zn\n0.944942 0.596366 0.348576 Zn\n0.055058 0.403634 0.651424 Zn\n0.247789 0.596366 0.651424 Zn\n0.752211 0.403634 0.348576 Zn\n0.596366 0.348576 0.944942 Zn\n0.403634 0.651424 0.055058 Zn\n0.596366 0.651424 0.247789 Zn\n0.403634 0.348576 0.752211 Zn\n0.138713 0.228083 0.683980 Zn\n0.455898 0.771917 0.910630 Zn\n0.861287 0.545268 0.089370 Zn\n0.544102 0.454732 0.316020 Zn\n0.228083 0.683980 0.138713 Zn\n0.771917 0.910630 0.455898 Zn\n0.545268 0.089370 0.861287 Zn\n0.454732 0.316020 0.544102 Zn\n0.683980 0.138713 0.228083 Zn\n0.910630 0.455898 0.771917 Zn\n0.089370 0.861287 0.545268 Zn\n0.316020 0.544102 0.454732 Zn\n0.861287 0.771917 0.316020 Zn\n0.544102 0.228083 0.089370 Zn\n0.138713 0.454732 0.910630 Zn\n0.455898 0.545268 0.683980 Zn\n0.771917 0.316020 0.861287 Zn\n0.228083 0.089370 0.544102 Zn\n0.454732 0.910630 0.138713 Zn\n0.545268 0.683980 0.455898 Zn\n0.316020 0.861287 0.771917 Zn\n0.089370 0.544102 0.228083 Zn\n0.910630 0.138713 0.454732 Zn\n0.683980 0.455898 0.545268 Zn\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 7.692001407517473,
"density_atomic": 0.05679980628481539,
"volume": 1408.4555077327236,
"volume_molar": 10.602396652204662,
"formula_full": "Yb12 Zn68",
"formula_reduced": "Yb3Zn17",
"formula_anonymous": "A3B17",
"energy": -122.17548108,
"energy_per_atom": -1.5271935134999999,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:28.988000Z",
"spacegroup": 204
},
{
"id": "mp-1026646",
"created_at": "2022-09-04T14:40:04.898573Z",
"structure_string": "Na1 Mg14 Cd1\n1.0\n6.420617 0.000000 0.000000\n-3.210308 5.560417 0.000000\n0.000000 0.000000 10.344161\nNa Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Na\n0.168021 0.834010 0.125000 Mg\n0.165134 0.832566 0.625000 Mg\n0.665990 0.331979 0.125000 Mg\n0.667434 0.334866 0.625000 Mg\n0.665990 0.834010 0.125000 Mg\n0.667434 0.832566 0.625000 Mg\n0.334240 0.165760 0.379183 Mg\n0.334240 0.165760 0.870817 Mg\n0.334240 0.668482 0.379183 Mg\n0.334240 0.668482 0.870817 Mg\n0.831518 0.165760 0.379183 Mg\n0.831518 0.165760 0.870817 Mg\n0.833333 0.666667 0.372918 Mg\n0.833333 0.666667 0.877082 Mg\n0.166667 0.333333 0.625000 Cd\n",
"nsites": 16,
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"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Na",
"density": 2.1388294896405275,
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"volume": 369.3000770070121,
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"formula_full": "Na1 Mg14 Cd1",
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"updated_at": "2021-11-28T01:34:45.845000Z",
"spacegroup": 187
},
{
"id": "mp-1187967",
"created_at": "2022-09-04T14:44:02.859607Z",
"structure_string": "Yb5 Mg1\n1.0\n6.416567 -3.239207 0.000000\n6.416567 3.239207 0.000000\n4.781353 0.000000 5.366886\nYb Mg\n5 1\ndirect\n0.840061 0.500000 0.159939 Yb\n0.500000 0.159939 0.840061 Yb\n0.159939 0.840061 0.500000 Yb\n0.665451 0.665451 0.665451 Yb\n0.334549 0.334549 0.334549 Yb\n0.000000 0.000000 0.000000 Mg\n",
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"elements": [
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],
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"density": 6.6206966459712575,
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"volume": 223.0970366743556,
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"formula_full": "Yb5 Mg1",
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"formula_anonymous": "AB5",
"energy": -9.16588522,
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"updated_at": "2021-11-28T01:36:26.843000Z",
"spacegroup": 155
},
{
"id": "mp-1095964",
"created_at": "2022-09-04T14:46:53.204538Z",
"structure_string": "Zn2 Ag1 Pd1\n1.0\n-4.942607 5.410266 7.649045\n4.942607 -5.410266 7.649045\n4.942607 5.410266 -7.649045\nZn Ag Pd\n2 1 1\ndirect\n0.000000 0.243881 0.243881 Zn\n0.000000 0.756119 0.756119 Zn\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Ag",
"Pd"
],
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"density": 0.7004222826527714,
"density_atomic": 0.004888978035205581,
"volume": 818.1668993388719,
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"formula_full": "Zn2 Ag1 Pd1",
"formula_reduced": "Zn2AgPd",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:38.903000Z",
"spacegroup": 71
},
{
"id": "mp-1097189",
"created_at": "2022-09-04T14:42:15.114745Z",
"structure_string": "Sr2 Ag1 Sn1\n1.0\n-6.360781 6.585447 9.305209\n6.360781 -6.585447 9.305209\n6.360781 6.585447 -9.305209\nSr Ag Sn\n2 1 1\ndirect\n0.000000 0.248863 0.248863 Sr\n0.000000 0.751137 0.751137 Sr\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.4279537889769045,
"density_atomic": 0.00256553631158059,
"volume": 1559.1281955138875,
"volume_molar": 234.73223640673578,
"formula_full": "Sr2 Ag1 Sn1",
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"formula_anonymous": "ABC2",
"energy": -6.11470467,
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"updated_at": "2021-11-28T01:35:38.346000Z",
"spacegroup": 71
},
{
"id": "mp-1186780",
"created_at": "2022-09-04T14:48:14.648293Z",
"structure_string": "Sr2 Yb6\n1.0\n3.982399 -6.897718 0.000000\n3.982399 6.897718 0.000000\n0.000000 0.000000 6.484718\nSr Yb\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.164176 0.328351 0.250000 Yb\n0.671649 0.835824 0.250000 Yb\n0.164176 0.835824 0.250000 Yb\n0.835824 0.671649 0.750000 Yb\n0.328351 0.164176 0.750000 Yb\n0.835824 0.164176 0.750000 Yb\n",
"nsites": 8,
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"elements": [
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],
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"volume": 356.2634717148918,
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"formula_full": "Sr2 Yb6",
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"energy": -12.23040256,
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"spacegroup": 194
},
{
"id": "mp-1023300",
"created_at": "2022-09-04T14:42:22.440981Z",
"structure_string": "Rb2 Mg12 Al2\n1.0\n5.179562 0.000000 0.000000\n0.000000 6.999700 0.000000\n0.000000 0.000000 11.726074\nRb Mg Al\n2 12 2\ndirect\n0.500000 0.500000 0.838899 Rb\n0.500000 0.000000 0.338899 Rb\n0.500000 0.240741 0.082038 Mg\n0.500000 0.759259 0.082038 Mg\n0.000000 0.216389 0.915627 Mg\n0.000000 0.783611 0.915627 Mg\n0.000000 0.500000 0.168709 Mg\n0.000000 0.500000 0.648820 Mg\n0.500000 0.740741 0.582038 Mg\n0.500000 0.259259 0.582038 Mg\n0.000000 0.716389 0.415627 Mg\n0.000000 0.283611 0.415627 Mg\n0.000000 0.000000 0.668709 Mg\n0.000000 0.000000 0.148820 Mg\n0.500000 0.500000 0.348247 Al\n0.500000 0.000000 0.848247 Al\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Al"
],
"chemical_system": "Al-Mg-Rb",
"density": 2.017639934504163,
"density_atomic": 0.03763525726414481,
"volume": 425.13327031892607,
"volume_molar": 16.001327472623142,
"formula_full": "Rb2 Mg12 Al2",
"formula_reduced": "RbMg6Al",
"formula_anonymous": "ABC6",
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"energy_uncorrected": -24.46470407,
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"updated_at": "2021-11-28T01:35:47.137000Z",
"spacegroup": 38
}
]
}