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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=155",
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"results": [
{
"id": "mp-1026708",
"created_at": "2022-09-04T14:44:54.113999Z",
"structure_string": "Rb1 Mg14 Si1\n1.0\n6.417705 0.000000 -0.000000\n-3.208853 5.557895 0.000000\n-0.000000 -0.000000 10.883776\nRb Mg Si\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Rb\n0.160718 0.830358 0.125000 Mg\n0.173702 0.836850 0.625000 Mg\n0.669642 0.339282 0.125000 Mg\n0.663150 0.326298 0.625000 Mg\n0.669642 0.830358 0.125000 Mg\n0.663150 0.836850 0.625000 Mg\n0.333764 0.166236 0.355670 Mg\n0.333764 0.166236 0.894330 Mg\n0.333764 0.667530 0.355670 Mg\n0.333764 0.667530 0.894330 Mg\n0.832470 0.166236 0.355670 Mg\n0.832470 0.166236 0.894330 Mg\n0.833333 0.666667 0.383482 Mg\n0.833333 0.666667 0.866518 Mg\n0.166667 0.333333 0.125000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Si"
],
"chemical_system": "Mg-Rb-Si",
"density": 1.9411817695002935,
"density_atomic": 0.04121452507428854,
"volume": 388.2126500586929,
"volume_molar": 14.61169514666294,
"formula_full": "Rb1 Mg14 Si1",
"formula_reduced": "RbMg14Si",
"formula_anonymous": "ABC14",
"energy": -26.00721493,
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"energy_uncorrected": -26.07821493,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.79e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.683000Z",
"spacegroup": 187
},
{
"id": "mp-865984",
"created_at": "2022-09-04T14:46:56.298696Z",
"structure_string": "Ba1 Tl1 Hg2\n1.0\n0.000000 3.992260 3.992260\n3.992260 0.000000 3.992260\n3.992260 3.992260 0.000000\nBa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Tl\n0.750000 0.750000 0.750000 Hg\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Hg"
],
"chemical_system": "Ba-Hg-Tl",
"density": 9.693650052447845,
"density_atomic": 0.031432110562862915,
"volume": 127.25839685503036,
"volume_molar": 19.159199468823353,
"formula_full": "Ba1 Tl1 Hg2",
"formula_reduced": "BaTlHg2",
"formula_anonymous": "ABC2",
"energy": -6.50184303,
"energy_per_atom": -1.6254607575,
"energy_above_hull": null,
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"energy_uncorrected": -6.50184303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024347,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.533000Z",
"spacegroup": 225
},
{
"id": "mp-1185642",
"created_at": "2022-09-04T14:46:27.093233Z",
"structure_string": "Mg149 Zn1\n1.0\n13.823068 -7.980757 -0.000000\n-0.000000 15.961512 0.000000\n0.000000 -0.000000 15.631200\nMg Zn\n149 1\ndirect\n0.197068 0.000953 -0.000000 Mg\n0.803885 0.000953 -0.000000 Mg\n0.197068 0.196115 -0.000000 Mg\n0.999047 0.196115 -0.000000 Mg\n0.399044 0.199523 -0.000000 Mg\n0.800477 0.199523 -0.000000 Mg\n0.599858 0.199716 -0.000000 Mg\n0.199165 0.398331 -0.000000 Mg\n0.399330 0.399385 -0.000000 Mg\n0.000055 0.399385 -0.000000 Mg\n0.599858 0.400141 -0.000000 Mg\n0.800284 0.400141 -0.000000 Mg\n0.199811 0.599906 -0.000000 Mg\n0.400094 0.599906 -0.000000 Mg\n0.600615 0.600669 -0.000000 Mg\n0.000055 0.600670 -0.000000 Mg\n0.800477 0.600956 -0.000000 Mg\n0.400094 0.800189 -0.000000 Mg\n0.199165 0.800834 -0.000000 Mg\n0.601669 0.800834 -0.000000 Mg\n0.803885 0.802932 -0.000000 Mg\n0.999047 0.802932 -0.000000 Mg\n0.600615 0.999946 -0.000000 Mg\n0.399330 0.999946 -0.000000 Mg\n0.065473 0.130945 0.163790 Mg\n0.065473 0.934527 0.163790 Mg\n0.869055 0.934527 0.163790 Mg\n0.066228 0.332206 0.166079 Mg\n0.265978 0.332206 0.166079 Mg\n0.667794 0.734022 0.166079 Mg\n0.066228 0.734022 0.166079 Mg\n0.667794 0.933772 0.166079 Mg\n0.265978 0.933772 0.166079 Mg\n0.266439 0.532878 0.166400 Mg\n0.266439 0.733560 0.166400 Mg\n0.467122 0.733561 0.166400 Mg\n0.466689 0.533310 0.166378 Mg\n0.066620 0.533311 0.166378 Mg\n0.466689 0.933379 0.166378 Mg\n0.666667 0.333333 0.166580 Mg\n0.466751 0.133325 0.166518 Mg\n0.666574 0.133325 0.166518 Mg\n0.466751 0.333426 0.166518 Mg\n0.866675 0.333426 0.166518 Mg\n0.666574 0.533249 0.166518 Mg\n0.866675 0.533249 0.166518 Mg\n0.267251 0.133626 0.167027 Mg\n0.866375 0.133626 0.167027 Mg\n0.866375 0.732749 0.167027 Mg\n0.000000 -0.000000 0.332230 Mg\n0.800432 0.999819 0.332916 Mg\n0.199386 0.999820 0.332916 Mg\n0.000180 0.199568 0.332916 Mg\n0.199386 0.199568 0.332916 Mg\n0.800432 0.800613 0.332916 Mg\n0.000180 0.800614 0.332916 Mg\n0.600251 0.999932 0.333044 Mg\n0.399680 0.999932 0.333044 Mg\n0.000069 0.399748 0.333044 Mg\n0.399680 0.399748 0.333044 Mg\n0.000069 0.600320 0.333044 Mg\n0.600251 0.600320 0.333044 Mg\n0.199889 0.399778 0.333022 Mg\n0.600221 0.800111 0.333022 Mg\n0.199889 0.800111 0.333022 Mg\n0.599977 0.199954 0.333177 Mg\n0.599977 0.400023 0.333177 Mg\n0.800046 0.400023 0.333177 Mg\n0.200014 0.600007 0.333195 Mg\n0.399993 0.600007 0.333195 Mg\n0.399993 0.799985 0.333195 Mg\n0.800091 0.199908 0.333382 Mg\n0.399819 0.199909 0.333382 Mg\n0.800091 0.600182 0.333382 Mg\n0.066499 0.132997 0.500000 Mg\n0.866804 0.133196 0.500000 Mg\n0.266393 0.133196 0.500000 Mg\n0.666592 0.133260 0.500000 Mg\n0.466669 0.133261 0.500000 Mg\n0.066403 0.332972 0.500000 Mg\n0.266570 0.332972 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866739 0.333408 0.500000 Mg\n0.466669 0.333408 0.500000 Mg\n0.266526 0.533053 0.500000 Mg\n0.466773 0.533227 0.500000 Mg\n0.066454 0.533227 0.500000 Mg\n0.866739 0.533332 0.500000 Mg\n0.666592 0.533332 0.500000 Mg\n0.266526 0.733474 0.500000 Mg\n0.466947 0.733474 0.500000 Mg\n0.066403 0.733430 0.500000 Mg\n0.667028 0.733430 0.500000 Mg\n0.866804 0.733607 0.500000 Mg\n0.066499 0.933501 0.500000 Mg\n0.867003 0.933501 0.500000 Mg\n0.466773 0.933546 0.500000 Mg\n0.266570 0.933597 0.500000 Mg\n0.667028 0.933597 0.500000 Mg\n0.800091 0.199908 0.666617 Mg\n0.399819 0.199909 0.666617 Mg\n0.800091 0.600182 0.666617 Mg\n0.200014 0.600007 0.666805 Mg\n0.399993 0.600007 0.666805 Mg\n0.399993 0.799985 0.666805 Mg\n0.599977 0.199954 0.666823 Mg\n0.599977 0.400023 0.666823 Mg\n0.800046 0.400023 0.666823 Mg\n0.199889 0.399778 0.666978 Mg\n0.600221 0.800111 0.666978 Mg\n0.199889 0.800111 0.666978 Mg\n0.600251 0.999932 0.666956 Mg\n0.399680 0.999932 0.666956 Mg\n0.000069 0.399748 0.666956 Mg\n0.399680 0.399748 0.666956 Mg\n0.000069 0.600320 0.666956 Mg\n0.600251 0.600320 0.666956 Mg\n0.800432 0.999819 0.667084 Mg\n0.199386 0.999820 0.667084 Mg\n0.000180 0.199568 0.667084 Mg\n0.199386 0.199568 0.667084 Mg\n0.800432 0.800613 0.667084 Mg\n0.000180 0.800614 0.667084 Mg\n0.000000 -0.000000 0.667769 Mg\n0.267251 0.133626 0.832973 Mg\n0.866375 0.133626 0.832973 Mg\n0.866375 0.732749 0.832973 Mg\n0.466751 0.133325 0.833482 Mg\n0.666574 0.133325 0.833482 Mg\n0.466751 0.333426 0.833482 Mg\n0.866675 0.333426 0.833482 Mg\n0.666574 0.533249 0.833482 Mg\n0.866675 0.533249 0.833482 Mg\n0.666667 0.333333 0.833420 Mg\n0.466689 0.533310 0.833622 Mg\n0.066620 0.533311 0.833622 Mg\n0.466689 0.933379 0.833622 Mg\n0.266439 0.532878 0.833600 Mg\n0.266439 0.733560 0.833600 Mg\n0.467122 0.733561 0.833600 Mg\n0.066228 0.332206 0.833920 Mg\n0.265978 0.332206 0.833920 Mg\n0.667794 0.734022 0.833920 Mg\n0.066228 0.734022 0.833920 Mg\n0.667794 0.933772 0.833920 Mg\n0.265978 0.933772 0.833920 Mg\n0.065473 0.130945 0.836210 Mg\n0.065473 0.934527 0.836210 Mg\n0.869055 0.934527 0.836210 Mg\n0.000000 -0.000000 -0.000000 Zn\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 1.7751466785679675,
"density_atomic": 0.04349311027102134,
"volume": 3448.8221022892044,
"volume_molar": 13.846194770789804,
"formula_full": "Mg149 Zn1",
"formula_reduced": "Mg149Zn",
"formula_anonymous": "AB149",
"energy": -243.85994611000004,
"energy_per_atom": -1.6257329740666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -243.85994611000004,
"band_gap": 0.5787,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.255000Z",
"spacegroup": 187
},
{
"id": "mp-1187661",
"created_at": "2022-09-04T14:40:01.015982Z",
"structure_string": "Yb1 Mg3\n1.0\n0.000000 3.716021 3.716021\n3.716021 0.000000 3.716021\n3.716021 3.716021 0.000000\nYb Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 3.97960784827333,
"density_atomic": 0.038975842963444154,
"volume": 102.62767129248856,
"volume_molar": 15.45095705985943,
"formula_full": "Yb1 Mg3",
"formula_reduced": "YbMg3",
"formula_anonymous": "AB3",
"energy": -6.5032789,
"energy_per_atom": -1.625819725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.5032789,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029194,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.663000Z",
"spacegroup": 225
},
{
"id": "mp-1100787",
"created_at": "2022-09-04T14:42:07.721628Z",
"structure_string": "Yb1 Mg149\n1.0\n13.855483 -7.999470 0.000000\n-0.000000 15.998940 -0.000000\n-0.000000 0.000000 15.664086\nYb Mg\n1 149\ndirect\n-0.000000 -0.000000 0.000000 Yb\n0.600181 0.200362 0.000000 Mg\n0.401023 0.200511 0.000000 Mg\n0.799489 0.200512 0.000000 Mg\n0.002517 0.206376 0.000000 Mg\n0.203859 0.206376 0.000000 Mg\n0.600181 0.399818 0.000000 Mg\n0.799638 0.399818 0.000000 Mg\n0.000307 0.401238 0.000000 Mg\n0.400931 0.401238 0.000000 Mg\n0.201622 0.403242 0.000000 Mg\n0.799489 0.598977 0.000000 Mg\n0.000307 0.599068 0.000000 Mg\n0.598761 0.599068 0.000000 Mg\n0.399658 0.600341 0.000000 Mg\n0.200684 0.600341 0.000000 Mg\n0.002517 0.796141 0.000000 Mg\n0.793624 0.796141 0.000000 Mg\n0.596759 0.798379 0.000000 Mg\n0.201622 0.798379 0.000000 Mg\n0.399658 0.799316 0.000000 Mg\n0.203859 0.997484 0.000000 Mg\n0.793624 0.997484 0.000000 Mg\n0.400931 0.999693 0.000000 Mg\n0.598761 0.999693 0.000000 Mg\n0.263931 0.131965 0.165036 Mg\n0.868035 0.131965 0.165036 Mg\n0.868035 0.736069 0.165036 Mg\n0.666667 0.333333 0.166201 Mg\n0.465778 0.133033 0.166543 Mg\n0.667254 0.133033 0.166543 Mg\n0.866967 0.332746 0.166543 Mg\n0.465778 0.332746 0.166543 Mg\n0.667254 0.534222 0.166543 Mg\n0.866967 0.534222 0.166543 Mg\n0.466625 0.533374 0.167390 Mg\n0.066750 0.533375 0.167390 Mg\n0.466625 0.933250 0.167390 Mg\n0.267039 0.534080 0.167315 Mg\n0.267039 0.732960 0.167315 Mg\n0.465920 0.732960 0.167315 Mg\n0.267670 0.335455 0.167717 Mg\n0.067786 0.335456 0.167717 Mg\n0.067786 0.732330 0.167717 Mg\n0.664545 0.732330 0.167717 Mg\n0.267670 0.932214 0.167717 Mg\n0.664545 0.932214 0.167717 Mg\n0.068375 0.136751 0.170796 Mg\n0.863250 0.931625 0.170796 Mg\n0.068375 0.931625 0.170796 Mg\n0.800074 0.199926 0.332800 Mg\n0.399852 0.199926 0.332800 Mg\n0.800074 0.600147 0.332800 Mg\n0.600057 0.200114 0.332970 Mg\n0.799885 0.399943 0.332970 Mg\n0.600057 0.399943 0.332970 Mg\n0.599657 0.000228 0.333822 Mg\n0.400571 0.000228 0.333822 Mg\n0.400571 0.400343 0.333822 Mg\n0.999773 0.400343 0.333822 Mg\n0.599657 0.599429 0.333822 Mg\n0.999773 0.599430 0.333822 Mg\n0.400082 0.599918 0.333767 Mg\n0.199838 0.599918 0.333767 Mg\n0.400082 0.800162 0.333767 Mg\n0.200187 0.400375 0.333979 Mg\n0.599626 0.799813 0.333979 Mg\n0.200187 0.799813 0.333979 Mg\n0.799266 0.000170 0.334072 Mg\n0.200904 0.000170 0.334072 Mg\n0.200904 0.200734 0.334072 Mg\n0.999830 0.200734 0.334072 Mg\n0.799266 0.799096 0.334072 Mg\n0.999830 0.799096 0.334072 Mg\n-0.000000 -0.000000 0.334142 Mg\n0.066761 0.133523 0.500000 Mg\n0.267223 0.133611 0.500000 Mg\n0.866388 0.133612 0.500000 Mg\n0.667023 0.133975 0.500000 Mg\n0.466953 0.133975 0.500000 Mg\n0.466953 0.332977 0.500000 Mg\n0.866025 0.332977 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066961 0.333765 0.500000 Mg\n0.266805 0.333766 0.500000 Mg\n0.866025 0.533047 0.500000 Mg\n0.667023 0.533047 0.500000 Mg\n0.466757 0.533243 0.500000 Mg\n0.066487 0.533243 0.500000 Mg\n0.266818 0.533638 0.500000 Mg\n0.866388 0.732777 0.500000 Mg\n0.066961 0.733195 0.500000 Mg\n0.666235 0.733196 0.500000 Mg\n0.466362 0.733181 0.500000 Mg\n0.266818 0.733182 0.500000 Mg\n0.266805 0.933039 0.500000 Mg\n0.666235 0.933040 0.500000 Mg\n0.066761 0.933239 0.500000 Mg\n0.866477 0.933239 0.500000 Mg\n0.466757 0.933513 0.500000 Mg\n-0.000000 -0.000000 0.665858 Mg\n0.799266 0.000170 0.665928 Mg\n0.200904 0.000170 0.665928 Mg\n0.200904 0.200734 0.665928 Mg\n0.999830 0.200734 0.665928 Mg\n0.799266 0.799096 0.665928 Mg\n0.999830 0.799096 0.665928 Mg\n0.200187 0.400375 0.666021 Mg\n0.599626 0.799813 0.666021 Mg\n0.200187 0.799813 0.666021 Mg\n0.400082 0.599918 0.666233 Mg\n0.199838 0.599918 0.666233 Mg\n0.400082 0.800162 0.666233 Mg\n0.599657 0.000228 0.666178 Mg\n0.400571 0.000228 0.666178 Mg\n0.400571 0.400343 0.666178 Mg\n0.999773 0.400343 0.666178 Mg\n0.599657 0.599429 0.666178 Mg\n0.999773 0.599430 0.666178 Mg\n0.600057 0.200114 0.667030 Mg\n0.799885 0.399943 0.667030 Mg\n0.600057 0.399943 0.667030 Mg\n0.800074 0.199926 0.667200 Mg\n0.399852 0.199926 0.667200 Mg\n0.800074 0.600147 0.667200 Mg\n0.068375 0.136751 0.829205 Mg\n0.863250 0.931625 0.829205 Mg\n0.068375 0.931625 0.829205 Mg\n0.267670 0.335455 0.832282 Mg\n0.067786 0.335456 0.832282 Mg\n0.067786 0.732330 0.832282 Mg\n0.664545 0.732330 0.832282 Mg\n0.267670 0.932214 0.832282 Mg\n0.664545 0.932214 0.832282 Mg\n0.267039 0.534080 0.832685 Mg\n0.267039 0.732960 0.832685 Mg\n0.465920 0.732960 0.832685 Mg\n0.466625 0.533374 0.832609 Mg\n0.066750 0.533375 0.832609 Mg\n0.466625 0.933250 0.832609 Mg\n0.465778 0.133033 0.833457 Mg\n0.667254 0.133033 0.833457 Mg\n0.866967 0.332746 0.833457 Mg\n0.465778 0.332746 0.833457 Mg\n0.667254 0.534222 0.833457 Mg\n0.866967 0.534222 0.833457 Mg\n0.666667 0.333333 0.833799 Mg\n0.263931 0.131965 0.834964 Mg\n0.868035 0.131965 0.834964 Mg\n0.868035 0.736069 0.834964 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 1.8146129230426518,
"density_atomic": 0.0431989629076976,
"volume": 3472.305581050687,
"volume_molar": 13.940475313880553,
"formula_full": "Yb1 Mg149",
"formula_reduced": "YbMg149",
"formula_anonymous": "AB149",
"energy": -243.87621506,
"energy_per_atom": -1.6258414337333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -243.87621506,
"band_gap": 0.4866999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0152204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.836000Z",
"spacegroup": 187
},
{
"id": "mp-1021483",
"created_at": "2022-09-04T14:42:43.315571Z",
"structure_string": "Cs2 Mg12 Sn2\n1.0\n5.163527 0.000000 0.000000\n0.000000 7.898010 0.000000\n0.000000 0.000000 11.281012\nCs Mg Sn\n2 12 2\ndirect\n0.500000 0.500000 0.887778 Cs\n0.500000 0.000000 0.387778 Cs\n0.500000 0.203509 0.109512 Mg\n0.500000 0.796491 0.109512 Mg\n0.000000 0.195336 0.901862 Mg\n0.000000 0.804664 0.901862 Mg\n0.000000 0.500000 0.135458 Mg\n0.000000 0.500000 0.653907 Mg\n0.500000 0.703509 0.609512 Mg\n0.500000 0.296491 0.609512 Mg\n0.000000 0.695336 0.401862 Mg\n0.000000 0.304664 0.401862 Mg\n0.000000 0.000000 0.635458 Mg\n0.000000 0.000000 0.153907 Mg\n0.500000 0.500000 0.300114 Sn\n0.500000 0.000000 0.800114 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Sn"
],
"chemical_system": "Cs-Mg-Sn",
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