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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=149",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=147",
"results": [
{
"id": "mp-1095913",
"created_at": "2022-09-04T14:39:10.270535Z",
"structure_string": "Li1 La1 In2\n1.0\n-5.967362 6.377621 9.012363\n5.967362 -6.377621 9.012363\n5.967362 6.377621 -9.012363\nLi La In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.237042 0.237042 In\n0.000000 0.762958 0.762958 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"In"
],
"chemical_system": "In-La-Li",
"density": 0.4544634958501487,
"density_atomic": 0.002915548247285223,
"volume": 1371.9546585190456,
"volume_molar": 206.55260174848564,
"formula_full": "Li1 La1 In2",
"formula_reduced": "LiLaIn2",
"formula_anonymous": "ABC2",
"energy": -6.43087594,
"energy_per_atom": -1.607718985,
"energy_above_hull": null,
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"energy_uncorrected": -6.43087594,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.823000Z",
"spacegroup": 71
},
{
"id": "mp-1187343",
"created_at": "2022-09-04T14:47:00.812684Z",
"structure_string": "Rb1 Mg149\n1.0\n13.882103 -8.014839 -0.000000\n-0.000000 16.029678 0.000000\n0.000000 0.000000 15.677933\nRb Mg\n1 149\ndirect\n0.000000 -0.000000 0.000000 Rb\n0.600550 0.201100 0.000000 Mg\n0.798871 0.201128 0.000000 Mg\n0.402258 0.201129 0.000000 Mg\n0.002407 0.212420 0.000000 Mg\n0.210013 0.212420 0.000000 Mg\n0.600550 0.399449 0.000000 Mg\n0.798900 0.399450 0.000000 Mg\n0.000527 0.403049 0.000000 Mg\n0.402522 0.403050 0.000000 Mg\n0.202020 0.404042 0.000000 Mg\n0.596950 0.597478 0.000000 Mg\n0.000527 0.597478 0.000000 Mg\n0.798871 0.597742 0.000000 Mg\n0.399337 0.600663 0.000000 Mg\n0.201326 0.600663 0.000000 Mg\n0.002407 0.789987 0.000000 Mg\n0.787580 0.789987 0.000000 Mg\n0.202020 0.797979 0.000000 Mg\n0.595958 0.797980 0.000000 Mg\n0.399337 0.798674 0.000000 Mg\n0.787580 0.997593 0.000000 Mg\n0.210013 0.997594 0.000000 Mg\n0.596950 0.999472 0.000000 Mg\n0.402522 0.999473 0.000000 Mg\n0.263240 0.131620 0.165212 Mg\n0.868380 0.131620 0.165212 Mg\n0.868380 0.736760 0.165212 Mg\n0.666667 0.333333 0.166235 Mg\n0.465793 0.133109 0.166527 Mg\n0.667317 0.133110 0.166527 Mg\n0.866890 0.332683 0.166527 Mg\n0.465793 0.332683 0.166527 Mg\n0.866890 0.534207 0.166527 Mg\n0.667317 0.534208 0.166527 Mg\n0.267100 0.534199 0.167345 Mg\n0.465801 0.732900 0.167345 Mg\n0.267100 0.732900 0.167345 Mg\n0.466490 0.533510 0.167842 Mg\n0.067021 0.533510 0.167842 Mg\n0.466490 0.932979 0.167842 Mg\n0.268493 0.336318 0.168103 Mg\n0.067826 0.336319 0.168103 Mg\n0.663682 0.731507 0.168103 Mg\n0.067826 0.731507 0.168103 Mg\n0.268493 0.932174 0.168103 Mg\n0.663682 0.932174 0.168103 Mg\n0.070597 0.141193 0.175905 Mg\n0.070597 0.929403 0.175905 Mg\n0.858807 0.929403 0.175905 Mg\n0.400096 0.200048 0.332726 Mg\n0.799952 0.200048 0.332726 Mg\n0.799952 0.599904 0.332726 Mg\n0.600104 0.200209 0.333095 Mg\n0.600104 0.399895 0.333095 Mg\n0.799791 0.399895 0.333095 Mg\n0.400048 0.599952 0.333867 Mg\n0.199904 0.599952 0.333867 Mg\n0.400048 0.800096 0.333867 Mg\n0.200087 0.400172 0.333851 Mg\n0.200087 0.799913 0.333851 Mg\n0.599828 0.799913 0.333851 Mg\n0.599380 0.000219 0.333984 Mg\n0.400839 0.000219 0.333984 Mg\n0.999781 0.400620 0.333984 Mg\n0.400839 0.400620 0.333984 Mg\n0.999781 0.599161 0.333984 Mg\n0.599380 0.599161 0.333984 Mg\n0.000000 -0.000000 0.333894 Mg\n0.201799 0.000557 0.335453 Mg\n0.798758 0.000557 0.335453 Mg\n0.201799 0.201242 0.335453 Mg\n0.999443 0.201242 0.335453 Mg\n0.999443 0.798201 0.335453 Mg\n0.798758 0.798201 0.335453 Mg\n0.066786 0.133571 0.500000 Mg\n0.866174 0.133826 0.500000 Mg\n0.267651 0.133826 0.500000 Mg\n0.667096 0.134125 0.500000 Mg\n0.467029 0.134125 0.500000 Mg\n0.467029 0.332904 0.500000 Mg\n0.865876 0.332904 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266891 0.334196 0.500000 Mg\n0.067305 0.334196 0.500000 Mg\n0.667096 0.532971 0.500000 Mg\n0.865876 0.532971 0.500000 Mg\n0.066803 0.533402 0.500000 Mg\n0.466599 0.533402 0.500000 Mg\n0.266899 0.533797 0.500000 Mg\n0.866174 0.732349 0.500000 Mg\n0.665804 0.733109 0.500000 Mg\n0.067305 0.733109 0.500000 Mg\n0.466203 0.733101 0.500000 Mg\n0.266899 0.733102 0.500000 Mg\n0.266891 0.932695 0.500000 Mg\n0.665804 0.932696 0.500000 Mg\n0.066786 0.933214 0.500000 Mg\n0.866429 0.933214 0.500000 Mg\n0.466599 0.933197 0.500000 Mg\n0.201799 0.000557 0.664547 Mg\n0.798758 0.000557 0.664547 Mg\n0.201799 0.201242 0.664547 Mg\n0.999443 0.201242 0.664547 Mg\n0.999443 0.798201 0.664547 Mg\n0.798758 0.798201 0.664547 Mg\n0.000000 -0.000000 0.666107 Mg\n0.599380 0.000219 0.666016 Mg\n0.400839 0.000219 0.666016 Mg\n0.999781 0.400620 0.666016 Mg\n0.400839 0.400620 0.666016 Mg\n0.999781 0.599161 0.666016 Mg\n0.599380 0.599161 0.666016 Mg\n0.200087 0.400172 0.666149 Mg\n0.200087 0.799913 0.666149 Mg\n0.599828 0.799913 0.666149 Mg\n0.400048 0.599952 0.666132 Mg\n0.199904 0.599952 0.666132 Mg\n0.400048 0.800096 0.666132 Mg\n0.600104 0.200209 0.666905 Mg\n0.600104 0.399895 0.666905 Mg\n0.799791 0.399895 0.666905 Mg\n0.400096 0.200048 0.667275 Mg\n0.799952 0.200048 0.667275 Mg\n0.799952 0.599904 0.667275 Mg\n0.070597 0.141193 0.824095 Mg\n0.070597 0.929403 0.824095 Mg\n0.858807 0.929403 0.824095 Mg\n0.268493 0.336318 0.831897 Mg\n0.067826 0.336319 0.831897 Mg\n0.663682 0.731507 0.831897 Mg\n0.067826 0.731507 0.831897 Mg\n0.268493 0.932174 0.831897 Mg\n0.663682 0.932174 0.831897 Mg\n0.466490 0.533510 0.832158 Mg\n0.067021 0.533510 0.832158 Mg\n0.466490 0.932979 0.832158 Mg\n0.267100 0.534199 0.832656 Mg\n0.465801 0.732900 0.832656 Mg\n0.267100 0.732900 0.832656 Mg\n0.465793 0.133109 0.833474 Mg\n0.667317 0.133110 0.833474 Mg\n0.866890 0.332683 0.833474 Mg\n0.465793 0.332683 0.833474 Mg\n0.866890 0.534207 0.833474 Mg\n0.667317 0.534208 0.833474 Mg\n0.666667 0.333333 0.833765 Mg\n0.263240 0.131620 0.834788 Mg\n0.868380 0.131620 0.834788 Mg\n0.868380 0.736760 0.834788 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.764381934792877,
"density_atomic": 0.04299543963940456,
"volume": 3488.742091208381,
"volume_molar": 14.006463965729088,
"formula_full": "Rb1 Mg149",
"formula_reduced": "RbMg149",
"formula_anonymous": "AB149",
"energy": -241.24587488,
"energy_per_atom": -1.6083058325333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -241.24587488,
"band_gap": 0.0218000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0265205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.137000Z",
"spacegroup": 187
},
{
"id": "mp-1027971",
"created_at": "2022-09-04T14:39:42.770121Z",
"structure_string": "Li1 Mg14 Zn1\n1.0\n6.324346 -0.009337 0.000000\n-3.170259 5.491049 0.000000\n0.000000 0.000000 10.156090\nLi Mg Zn\n1 14 1\ndirect\n0.164655 0.832327 0.125000 Li\n0.167764 0.333881 0.625000 Mg\n0.167937 0.833968 0.625000 Mg\n0.669375 0.337036 0.125000 Mg\n0.665827 0.332707 0.625000 Mg\n0.669375 0.832338 0.125000 Mg\n0.665827 0.833119 0.625000 Mg\n0.329151 0.166567 0.367686 Mg\n0.329151 0.166567 0.882314 Mg\n0.329151 0.662585 0.367686 Mg\n0.329151 0.662585 0.882314 Mg\n0.837278 0.168640 0.369784 Mg\n0.837278 0.168640 0.880216 Mg\n0.834366 0.667183 0.375142 Mg\n0.834366 0.667183 0.874858 Mg\n0.169349 0.334674 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 1.9443400876381283,
"density_atomic": 0.04540386679119367,
"volume": 352.39289361811115,
"volume_molar": 13.26349755119982,
"formula_full": "Li1 Mg14 Zn1",
"formula_reduced": "LiMg14Zn",
"formula_anonymous": "ABC14",
"energy": -25.73500854,
"energy_per_atom": -1.60843803375,
"energy_above_hull": null,
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"energy_uncorrected": -25.73500854,
"band_gap": 0.0,
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"total_magnetization": 2.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.064000Z",
"spacegroup": 38
},
{
"id": "mp-1021274",
"created_at": "2022-09-04T14:44:51.016503Z",
"structure_string": "Li2 Mg12 Cd2\n1.0\n5.122923 0.000000 0.000000\n0.000000 6.298077 0.000000\n0.000000 0.000000 10.882070\nLi Mg Cd\n2 12 2\ndirect\n0.500000 0.000000 0.832964 Li\n0.500000 0.500000 0.332964 Li\n0.500000 0.249048 0.583616 Mg\n0.500000 0.750952 0.583616 Mg\n0.000000 0.251512 0.415731 Mg\n0.000000 0.748488 0.415731 Mg\n0.000000 0.000000 0.667921 Mg\n0.000000 0.000000 0.166831 Mg\n0.500000 0.749048 0.083616 Mg\n0.500000 0.250952 0.083616 Mg\n0.000000 0.751512 0.915731 Mg\n0.000000 0.248488 0.915731 Mg\n0.000000 0.500000 0.167921 Mg\n0.000000 0.500000 0.666831 Mg\n0.500000 0.000000 0.333594 Cd\n0.500000 0.500000 0.833594 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cd"
],
"chemical_system": "Cd-Li-Mg",
"density": 2.5083366590992897,
"density_atomic": 0.045570382423495454,
"volume": 351.105238733977,
"volume_molar": 13.215032307683837,
"formula_full": "Li2 Mg12 Cd2",
"formula_reduced": "LiMg6Cd",
"formula_anonymous": "ABC6",
"energy": -25.73558681,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.168000Z",
"spacegroup": 38
},
{
"id": "mp-1093626",
"created_at": "2022-09-04T14:46:36.733212Z",
"structure_string": "Cd2 Pt1 Au1\n1.0\n-5.250815 5.743710 8.132155\n5.250815 -5.743710 8.132155\n5.250815 5.743710 -8.132155\nCd Pt Au\n2 1 1\ndirect\n0.000000 0.246240 0.246240 Cd\n0.000000 0.753760 0.753760 Cd\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
"Cd",
"Pt",
"Au"
],
"chemical_system": "Au-Cd-Pt",
"density": 1.044142312738639,
"density_atomic": 0.00407732312892455,
"volume": 981.0358103884338,
"volume_molar": 147.69839351899546,
"formula_full": "Cd2 Pt1 Au1",
"formula_reduced": "Cd2PtAu",
"formula_anonymous": "ABC2",
"energy": -6.4343607,
"energy_per_atom": -1.608590175,
"energy_above_hull": null,
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"energy_uncorrected": -6.4343607,
"band_gap": 0.7411000000000003,
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"is_magnetic": true,
"total_magnetization": 0.925349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.358000Z",
"spacegroup": 71
},
{
"id": "mp-1225485",
"created_at": "2022-09-04T14:39:05.297151Z",
"structure_string": "Ho12 Cd72\n1.0\n-7.796753 7.844098 7.971150\n7.796753 -7.844098 7.971150\n7.796753 7.844098 -7.971150\nHo Cd\n12 72\ndirect\n0.807915 0.509703 0.701788 Ho\n0.192085 0.490297 0.298212 Ho\n0.192085 0.893873 0.701788 Ho\n0.807915 0.106127 0.298212 Ho\n0.108702 0.301769 0.806933 Ho\n0.891298 0.698231 0.193067 Ho\n0.494836 0.301769 0.193067 Ho\n0.505164 0.698231 0.806933 Ho\n0.301069 0.189596 0.490665 Ho\n0.698931 0.810404 0.509335 Ho\n0.301069 0.810404 0.111473 Ho\n0.698931 0.189596 0.888527 Ho\n0.589969 0.589969 0.000000 Cd\n0.410031 0.410031 0.000000 Cd\n0.594771 0.000000 0.594771 Cd\n0.405229 0.000000 0.405229 Cd\n0.000000 0.404458 0.404458 Cd\n0.000000 0.595542 0.595542 Cd\n0.595849 0.249843 0.653993 Cd\n0.404151 0.750157 0.346007 Cd\n0.404151 0.058144 0.653993 Cd\n0.595849 0.941856 0.346007 Cd\n0.940650 0.345953 0.594696 Cd\n0.059350 0.654047 0.405304 Cd\n0.751257 0.345953 0.405304 Cd\n0.248743 0.654047 0.594696 Cd\n0.344717 0.404258 0.748975 Cd\n0.655283 0.595742 0.251025 Cd\n0.344717 0.595742 0.940459 Cd\n0.655283 0.404258 0.059541 Cd\n0.500000 0.310321 0.810321 Cd\n0.500000 0.689679 0.189679 Cd\n0.690445 0.190445 0.500000 Cd\n0.309555 0.809555 0.500000 Cd\n0.187676 0.500000 0.687676 Cd\n0.812324 0.500000 0.312324 Cd\n0.000072 0.678919 0.001823 Cd\n0.322905 0.321081 0.321153 Cd\n0.999928 0.001751 0.678847 Cd\n0.677095 0.998249 0.998177 Cd\n0.999928 0.321081 0.998177 Cd\n0.677095 0.678919 0.678847 Cd\n0.000072 0.998249 0.321153 Cd\n0.322905 0.001751 0.001823 Cd\n0.778357 0.455791 0.918510 Cd\n0.462720 0.544209 0.322566 Cd\n0.221643 0.140154 0.677434 Cd\n0.537280 0.859846 0.081490 Cd\n0.860467 0.083842 0.542549 Cd\n0.139533 0.682082 0.223375 Cd\n0.541293 0.317918 0.457451 Cd\n0.458707 0.916158 0.776625 Cd\n0.318689 0.459122 0.540480 Cd\n0.918641 0.778209 0.459520 Cd\n0.081359 0.540878 0.859568 Cd\n0.681311 0.221791 0.140432 Cd\n0.221643 0.544209 0.081490 Cd\n0.537280 0.455791 0.677434 Cd\n0.778357 0.859846 0.322566 Cd\n0.462720 0.140154 0.918510 Cd\n0.139533 0.916158 0.457451 Cd\n0.860467 0.317918 0.776625 Cd\n0.458707 0.682082 0.542549 Cd\n0.541293 0.083842 0.223375 Cd\n0.681311 0.540878 0.459520 Cd\n0.081359 0.221791 0.540480 Cd\n0.918641 0.459122 0.140432 Cd\n0.318689 0.778209 0.859568 Cd\n0.915096 0.824621 0.909525 Cd\n0.084904 0.175379 0.090475 Cd\n0.084904 0.994429 0.909525 Cd\n0.915096 0.005571 0.090475 Cd\n0.742865 0.648714 0.905849 Cd\n0.257135 0.351286 0.094151 Cd\n0.257135 0.162984 0.905849 Cd\n0.742865 0.837016 0.094151 Cd\n0.856246 0.090652 0.765594 Cd\n0.143754 0.909348 0.234406 Cd\n0.325058 0.090652 0.234406 Cd\n0.674942 0.909348 0.765594 Cd\n0.095071 0.240720 0.335792 Cd\n0.904929 0.759280 0.664208 Cd\n0.095071 0.759280 0.854351 Cd\n0.904929 0.240720 0.145649 Cd\n",
"nsites": 84,
"nelements": 2,
"elements": [
"Ho",
"Cd"
],
"chemical_system": "Cd-Ho",
"density": 8.577478624469007,
"density_atomic": 0.0430766107745219,
"volume": 1950.014137362976,
"volume_molar": 13.980070975225974,
"formula_full": "Ho12 Cd72",
"formula_reduced": "HoCd6",
"formula_anonymous": "AB6",
"energy": -135.1368776,
"energy_per_atom": -1.6087723523809523,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -135.1368776,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0271379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.493000Z",
"spacegroup": 71
},
{
"id": "mp-1021276",
"created_at": "2022-09-04T14:42:05.824263Z",
"structure_string": "Li2 Mg12 Cd2\n1.0\n5.117446 0.000000 0.000000\n0.000000 6.310411 0.000000\n0.000000 0.000000 10.892424\nLi Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.332620 Li\n0.000000 0.000000 0.832620 Li\n0.000000 0.250876 0.083538 Mg\n0.000000 0.749124 0.083538 Mg\n0.000000 0.500000 0.833714 Mg\n0.500000 0.248179 0.915163 Mg\n0.500000 0.751821 0.915163 Mg\n0.500000 0.500000 0.667121 Mg\n0.000000 0.750876 0.583538 Mg\n0.000000 0.249124 0.583538 Mg\n0.000000 0.000000 0.333714 Mg\n0.500000 0.748179 0.415163 Mg\n0.500000 0.251821 0.415163 Mg\n0.500000 0.000000 0.167121 Mg\n0.500000 0.500000 0.169144 Cd\n0.500000 0.000000 0.669144 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cd"
],
"chemical_system": "Cd-Li-Mg",
"density": 2.5037310880426866,
"density_atomic": 0.04548671038785917,
"volume": 351.7510908916058,
"volume_molar": 13.239341136455026,
"formula_full": "Li2 Mg12 Cd2",
"formula_reduced": "LiMg6Cd",
"formula_anonymous": "ABC6",
"energy": -25.74474164,
"energy_per_atom": -1.6090463525,
"energy_above_hull": null,
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"energy_uncorrected": -25.74474164,
"band_gap": 0.0,
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"total_magnetization": 0.0020302,
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"updated_at": "2021-11-28T01:35:32.499000Z",
"spacegroup": 38
},
{
"id": "mp-1026629",
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{
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"structure_string": "Ca2 Mg12 Zn2\n1.0\n5.125471 0.000000 0.000000\n0.000000 6.296238 0.000000\n0.000000 0.000000 11.705456\nCa Mg Zn\n2 12 2\ndirect\n0.500000 0.500000 0.676617 Ca\n0.500000 0.000000 0.176617 Ca\n0.500000 0.747750 0.924212 Mg\n0.500000 0.252250 0.924212 Mg\n0.000000 0.242798 0.580895 Mg\n0.000000 0.757202 0.580895 Mg\n0.000000 0.500000 0.841097 Mg\n0.000000 0.000000 0.821957 Mg\n0.500000 0.247750 0.424212 Mg\n0.500000 0.752250 0.424212 Mg\n0.000000 0.742798 0.080895 Mg\n0.000000 0.257202 0.080895 Mg\n0.000000 0.000000 0.341097 Mg\n0.000000 0.500000 0.321957 Mg\n0.500000 0.000000 0.650112 Zn\n0.500000 0.500000 0.150112 Zn\n",
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"formula_full": "Ca2 Mg12 Zn2",
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}