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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=11566",
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"results": [
{
"id": "mp-570025",
"created_at": "2022-09-04T14:39:58.761244Z",
"structure_string": "Mg42 Zn50\n1.0\n7.925861 -12.784967 0.000000\n7.925861 12.784967 0.000000\n-12.697184 0.000000 8.065741\nMg Zn\n42 50\ndirect\n0.750000 0.057197 0.442803 Mg\n0.454945 0.936864 0.358766 Mg\n0.641234 0.545055 0.063136 Mg\n0.181332 0.065291 0.947866 Mg\n0.442803 0.750000 0.057197 Mg\n0.045055 0.141234 0.563136 Mg\n0.250000 0.942803 0.557197 Mg\n0.683823 0.223599 0.451732 Mg\n0.776401 0.548268 0.316177 Mg\n0.947866 0.181332 0.065291 Mg\n0.936864 0.358766 0.454945 Mg\n0.858766 0.436864 0.954945 Mg\n0.681332 0.447866 0.565291 Mg\n0.316177 0.776401 0.548268 Mg\n0.557197 0.250000 0.942803 Mg\n0.954945 0.858766 0.436864 Mg\n0.141234 0.563136 0.045055 Mg\n0.436864 0.954945 0.858766 Mg\n0.951732 0.723599 0.183823 Mg\n0.318668 0.552134 0.434709 Mg\n0.451732 0.683823 0.223599 Mg\n0.358766 0.454945 0.936864 Mg\n0.052134 0.818668 0.934709 Mg\n0.934709 0.052134 0.818668 Mg\n0.723599 0.183823 0.951732 Mg\n0.942803 0.557197 0.250000 Mg\n0.276401 0.816177 0.048268 Mg\n0.223599 0.451732 0.683823 Mg\n0.057197 0.442803 0.750000 Mg\n0.183823 0.951732 0.723599 Mg\n0.434709 0.318668 0.552134 Mg\n0.063136 0.641234 0.545055 Mg\n0.552134 0.434709 0.318668 Mg\n0.565291 0.681332 0.447866 Mg\n0.545055 0.063136 0.641234 Mg\n0.447866 0.565291 0.681332 Mg\n0.548268 0.316177 0.776401 Mg\n0.816177 0.048268 0.276401 Mg\n0.048268 0.276401 0.816177 Mg\n0.563136 0.045055 0.141234 Mg\n0.065291 0.947866 0.181332 Mg\n0.818668 0.934709 0.052134 Mg\n0.310919 0.019151 0.427715 Zn\n0.250000 0.691917 0.808083 Zn\n0.119252 0.763980 0.118977 Zn\n0.736020 0.380748 0.381023 Zn\n0.980849 0.572285 0.689081 Zn\n0.308597 0.372879 0.071467 Zn\n0.689209 0.810791 0.750000 Zn\n0.810919 0.927715 0.519151 Zn\n0.881023 0.880748 0.236020 Zn\n0.480849 0.189081 0.072285 Zn\n0.072285 0.480849 0.189081 Zn\n0.750000 0.689209 0.810791 Zn\n0.372879 0.071467 0.308597 Zn\n0.236020 0.881023 0.880748 Zn\n0.118977 0.119252 0.763980 Zn\n0.750000 0.308083 0.191917 Zn\n0.691917 0.808083 0.250000 Zn\n0.519151 0.810919 0.927715 Zn\n0.191403 0.428533 0.127121 Zn\n0.927715 0.519151 0.810919 Zn\n0.310791 0.189209 0.250000 Zn\n0.127121 0.191403 0.428533 Zn\n0.572285 0.689081 0.980849 Zn\n0.381023 0.736020 0.380748 Zn\n0.810791 0.750000 0.689209 Zn\n0.500000 0.500000 0.500000 Zn\n0.808083 0.250000 0.691917 Zn\n0.571467 0.872879 0.808597 Zn\n0.872879 0.808597 0.571467 Zn\n0.428533 0.127121 0.191403 Zn\n0.250000 0.310791 0.189209 Zn\n0.928533 0.691403 0.627121 Zn\n0.763980 0.118977 0.119252 Zn\n0.308083 0.191917 0.750000 Zn\n0.189209 0.250000 0.310791 Zn\n0.427715 0.310919 0.019151 Zn\n0.000000 0.000000 0.000000 Zn\n0.880748 0.236020 0.881023 Zn\n0.263980 0.619252 0.618977 Zn\n0.627121 0.928533 0.691403 Zn\n0.019151 0.427715 0.310919 Zn\n0.380748 0.381023 0.736020 Zn\n0.691403 0.627121 0.928533 Zn\n0.689081 0.980849 0.572285 Zn\n0.191917 0.750000 0.308083 Zn\n0.189081 0.072285 0.480849 Zn\n0.808597 0.571467 0.872879 Zn\n0.618977 0.263980 0.619252 Zn\n0.619252 0.618977 0.263980 Zn\n0.071467 0.308597 0.372879 Zn\n",
"nsites": 92,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.3592682568206484,
"density_atomic": 0.056281737525263616,
"volume": 1634.6332584118118,
"volume_molar": 10.699990840362375,
"formula_full": "Mg42 Zn50",
"formula_reduced": "Mg21Zn25",
"formula_anonymous": "A21B25",
"energy": -136.62711737,
"energy_per_atom": -1.4850773627173914,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.62711737,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0086167,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.136000Z",
"spacegroup": 167
},
{
"id": "mp-1199105",
"created_at": "2022-09-04T14:39:58.763403Z",
"structure_string": "Gd4 Re12 O60\n1.0\n8.830742 0.000000 0.000000\n0.000000 11.566317 0.000000\n0.000000 0.000000 14.811261\nGd Re O\n4 12 60\ndirect\n0.229455 0.354112 0.175669 Gd\n0.770545 0.854112 0.824331 Gd\n0.729455 0.854112 0.324331 Gd\n0.270545 0.354112 0.675669 Gd\n0.398400 0.681176 0.183561 Re\n0.601600 0.181176 0.816439 Re\n0.898400 0.181176 0.316439 Re\n0.101600 0.681176 0.683561 Re\n0.897321 0.599180 0.169102 Re\n0.102679 0.099180 0.830898 Re\n0.397321 0.099180 0.330898 Re\n0.602679 0.599180 0.669102 Re\n0.303683 0.489219 0.918703 Re\n0.696317 0.989219 0.081297 Re\n0.803683 0.989219 0.581297 Re\n0.196317 0.489219 0.418703 Re\n0.368920 0.528740 0.190278 O\n0.631080 0.028740 0.809722 O\n0.868920 0.028740 0.309722 O\n0.131080 0.528740 0.690278 O\n0.029298 0.488096 0.198708 O\n0.970702 0.988096 0.801292 O\n0.529298 0.988096 0.301292 O\n0.470702 0.488096 0.698708 O\n0.241983 0.436459 0.026414 O\n0.758017 0.936459 0.973586 O\n0.741983 0.936459 0.473586 O\n0.258017 0.436459 0.526414 O\n0.249047 0.188325 0.070252 O\n0.750953 0.688325 0.929748 O\n0.749047 0.688325 0.429748 O\n0.250953 0.188325 0.570252 O\n0.001528 0.329766 0.082264 O\n0.998472 0.829766 0.917736 O\n0.501528 0.829766 0.417736 O\n0.498472 0.329766 0.582264 O\n0.498802 0.343782 0.126217 O\n0.501198 0.843782 0.873783 O\n0.998802 0.843782 0.373783 O\n0.001198 0.343782 0.626217 O\n0.453945 0.716485 0.074869 O\n0.546055 0.216485 0.925131 O\n0.953945 0.216485 0.425131 O\n0.046055 0.716485 0.574869 O\n0.538467 0.729908 0.261230 O\n0.461533 0.229908 0.738770 O\n0.038467 0.229908 0.238770 O\n0.961533 0.729908 0.761230 O\n0.227756 0.750246 0.204228 O\n0.772244 0.250246 0.795772 O\n0.727756 0.250246 0.295772 O\n0.272244 0.750246 0.704228 O\n0.960813 0.670887 0.073726 O\n0.039187 0.170887 0.926274 O\n0.460813 0.170887 0.426274 O\n0.539187 0.670887 0.573726 O\n0.724369 0.537024 0.144006 O\n0.275631 0.037024 0.855994 O\n0.224369 0.037024 0.355994 O\n0.775631 0.537024 0.644006 O\n0.871449 0.697425 0.260239 O\n0.128551 0.197425 0.739761 O\n0.371449 0.197425 0.239761 O\n0.628551 0.697425 0.760239 O\n0.498334 0.506228 0.916918 O\n0.501666 0.006228 0.083082 O\n0.998334 0.006228 0.583082 O\n0.001666 0.506228 0.416918 O\n0.220702 0.621358 0.893583 O\n0.779298 0.121358 0.106417 O\n0.720702 0.121358 0.606417 O\n0.279298 0.621358 0.393583 O\n0.251913 0.389984 0.833183 O\n0.748087 0.889984 0.166817 O\n0.751913 0.889984 0.666817 O\n0.248087 0.389984 0.333183 O\n",
"nsites": 76,
"nelements": 3,
"elements": [
"Gd",
"Re",
"O"
],
"chemical_system": "Gd-O-Re",
"density": 4.196816329031973,
"density_atomic": 0.050237644663622065,
"volume": 1512.8097765903603,
"volume_molar": 11.987307128593821,
"formula_full": "Gd4 Re12 O60",
"formula_reduced": "Gd(ReO5)3",
"formula_anonymous": "AB3C15",
"energy": -636.24896831,
"energy_per_atom": -8.371696951447369,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -595.02896831,
"band_gap": 0.5876999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 20.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.583000Z",
"spacegroup": 33
},
{
"id": "mp-1095947",
"created_at": "2022-09-04T14:39:58.766955Z",
"structure_string": "Mg1 Tl1 Pd2\n1.0\n-5.105781 5.860546 8.286702\n5.105781 -5.860546 8.286702\n5.105781 5.860546 -8.286702\nMg Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n0.000000 0.243957 0.243957 Pd\n0.000000 0.756043 0.756043 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Tl",
"Pd"
],
"chemical_system": "Mg-Pd-Tl",
"density": 0.7392063142563137,
"density_atomic": 0.0040329052309178775,
"volume": 991.8408122597048,
"volume_molar": 149.32512457351692,
"formula_full": "Mg1 Tl1 Pd2",
"formula_reduced": "MgTlPd2",
"formula_anonymous": "ABC2",
"energy": -9.63874908,
"energy_per_atom": -2.40968727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.63874908,
"band_gap": 0.1529000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.416000Z",
"spacegroup": 71
},
{
"id": "mp-31931",
"created_at": "2022-09-04T14:39:58.778917Z",
"structure_string": "Li2 Mn8 P6 O24\n1.0\n8.776317 -4.329769 0.000000\n8.776317 4.329769 0.000000\n6.640238 0.000000 7.188732\nLi Mn P O\n2 8 6 24\ndirect\n0.042445 0.042445 0.042445 Li\n0.542445 0.542445 0.542445 Li\n0.034195 0.669552 0.255040 Mn\n0.669552 0.255040 0.034195 Mn\n0.211821 0.211821 0.211821 Mn\n0.534195 0.755040 0.169552 Mn\n0.255040 0.034195 0.669552 Mn\n0.169552 0.534195 0.755040 Mn\n0.755040 0.169552 0.534195 Mn\n0.711821 0.711821 0.711821 Mn\n0.609750 0.916576 0.323056 P\n0.109750 0.823056 0.416576 P\n0.823056 0.416576 0.109750 P\n0.916576 0.323056 0.609750 P\n0.323056 0.609750 0.916576 P\n0.416576 0.109750 0.823056 P\n0.221477 0.483002 0.110342 O\n0.025301 0.395877 0.040362 O\n0.395877 0.040362 0.025301 O\n0.483002 0.110342 0.221477 O\n0.110342 0.221477 0.483002 O\n0.807158 0.921790 0.205376 O\n0.040362 0.025301 0.395877 O\n0.721477 0.610342 0.983002 O\n0.110254 0.827397 0.256723 O\n0.610254 0.756723 0.327397 O\n0.540362 0.895877 0.525301 O\n0.307158 0.705376 0.421790 O\n0.827397 0.256723 0.110254 O\n0.705376 0.421790 0.307158 O\n0.895877 0.525301 0.540362 O\n0.205376 0.807158 0.921790 O\n0.327397 0.610254 0.756723 O\n0.756723 0.327397 0.610254 O\n0.525301 0.540362 0.895877 O\n0.421790 0.307158 0.705376 O\n0.921790 0.205376 0.807158 O\n0.256723 0.110254 0.827397 O\n0.610342 0.983002 0.721477 O\n0.983002 0.721477 0.610342 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.109972006799314,
"density_atomic": 0.0732151024261543,
"volume": 546.3353689950037,
"volume_molar": 8.22527123563613,
"formula_full": "Li2 Mn8 P6 O24",
"formula_reduced": "LiMn4(PO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -329.76778152,
"energy_per_atom": -8.244194538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -299.93578152,
"band_gap": 2.7244,
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"is_magnetic": true,
"total_magnetization": 40.0009506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.430000Z",
"spacegroup": 161
},
{
"id": "mp-1215053",
"created_at": "2022-09-04T14:39:58.801564Z",
"structure_string": "Ba12 La3 Ru9 O36\n1.0\n5.189636 3.001200 -0.155849\n5.189636 -3.001200 -0.155849\n-0.186574 0.000000 -30.328676\nBa La Ru O\n12 3 9 36\ndirect\n0.998749 0.998749 0.869029 Ba\n0.001251 0.001251 0.130971 Ba\n0.334128 0.334128 0.464172 Ba\n0.665872 0.665872 0.535828 Ba\n0.669014 0.669014 0.945933 Ba\n0.330986 0.330986 0.054067 Ba\n0.002944 0.002944 0.278789 Ba\n0.997056 0.997056 0.721211 Ba\n0.337818 0.337818 0.613050 Ba\n0.662182 0.662182 0.386950 Ba\n0.665865 0.665865 0.797634 Ba\n0.334135 0.334135 0.202366 Ba\n0.667686 0.667686 0.666921 La\n0.332314 0.332314 0.333079 La\n0.000000 0.000000 0.000000 La\n0.332753 0.332753 0.833340 Ru\n0.667247 0.667247 0.166660 Ru\n0.339158 0.339158 0.917643 Ru\n0.660842 0.660842 0.082357 Ru\n0.327032 0.327032 0.748859 Ru\n0.672968 0.672968 0.251141 Ru\n0.007901 0.007901 0.584629 Ru\n0.992099 0.992099 0.415371 Ru\n0.000000 0.000000 0.500000 Ru\n0.190057 0.190057 0.957142 O\n0.809943 0.809943 0.042858 O\n0.327135 0.859067 0.616717 O\n0.672865 0.140933 0.383283 O\n0.140933 0.672865 0.383283 O\n0.859067 0.327135 0.616717 O\n0.175710 0.175710 0.794724 O\n0.824290 0.824290 0.205276 O\n0.156814 0.156814 0.537512 O\n0.843186 0.843186 0.462488 O\n0.655728 0.188090 0.950994 O\n0.344272 0.811910 0.049006 O\n0.811910 0.344272 0.049006 O\n0.188090 0.655728 0.950994 O\n0.306355 0.840519 0.457099 O\n0.693645 0.159481 0.542901 O\n0.159481 0.693645 0.542901 O\n0.840519 0.306355 0.457099 O\n0.639660 0.176909 0.790810 O\n0.360340 0.823091 0.209190 O\n0.823091 0.360340 0.209190 O\n0.176909 0.639660 0.790810 O\n0.477899 0.010419 0.715634 O\n0.522101 0.989581 0.284366 O\n0.989581 0.522101 0.284366 O\n0.010419 0.477899 0.715634 O\n0.138283 0.138283 0.375148 O\n0.861717 0.861717 0.624852 O\n0.490345 0.490345 0.871770 O\n0.509655 0.509655 0.128230 O\n0.476155 0.476155 0.708995 O\n0.523845 0.523845 0.291005 O\n0.488851 0.026009 0.875782 O\n0.511149 0.973991 0.124218 O\n0.973991 0.511149 0.124218 O\n0.026009 0.488851 0.875782 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Ba",
"La",
"Ru",
"O"
],
"chemical_system": "Ba-La-O-Ru",
"density": 6.238962575520361,
"density_atomic": 0.06349737077577916,
"volume": 944.9210143183878,
"volume_molar": 9.484078925512177,
"formula_full": "Ba12 La3 Ru9 O36",
"formula_reduced": "Ba4La(RuO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -448.3696915,
"energy_per_atom": -7.472828191666666,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -423.6376915,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 15.0017881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.599000Z",
"spacegroup": 12
},
{
"id": "mp-1197007",
"created_at": "2022-09-04T14:39:58.810126Z",
"structure_string": "Ni1 H20 Pt1 C4 N4 O12\n1.0\n-3.622701 3.793413 7.476489\n3.622701 -3.793413 7.476489\n3.622701 3.793413 -7.476489\nNi H Pt C N O\n1 20 1 4 4 12\ndirect\n0.500000 0.500000 0.000000 Ni\n0.629794 0.808888 0.608393 H\n0.200494 0.021401 0.391607 H\n0.799506 0.191112 0.820906 H\n0.370206 0.978599 0.179094 H\n0.637693 0.022281 0.854277 H\n0.168004 0.783416 0.145723 H\n0.831996 0.977719 0.615412 H\n0.362307 0.216584 0.384588 H\n0.699580 0.818336 0.834579 H\n0.983757 0.865001 0.165421 H\n0.016243 0.181664 0.881244 H\n0.300420 0.134999 0.118756 H\n0.810140 0.422327 0.606109 H\n0.816218 0.204031 0.393891 H\n0.183782 0.577673 0.387813 H\n0.189860 0.795969 0.612187 H\n0.795675 0.444703 0.348940 H\n0.095763 0.446735 0.651060 H\n0.904237 0.555297 0.350972 H\n0.204325 0.553265 0.649028 H\n0.000000 0.000000 0.000000 Pt\n0.682065 0.788404 0.110371 C\n0.678033 0.571694 0.889629 C\n0.321967 0.211596 0.893661 C\n0.317935 0.428306 0.106339 C\n0.708700 0.901978 0.802092 N\n0.099886 0.906608 0.197908 N\n0.900114 0.098022 0.806723 N\n0.291300 0.093392 0.193277 N\n0.609044 0.792262 0.193554 O\n0.598708 0.415490 0.806446 O\n0.401292 0.207738 0.816782 O\n0.390956 0.584510 0.183218 O\n0.757580 0.940895 0.187751 O\n0.753144 0.569829 0.812249 O\n0.246856 0.059105 0.816685 O\n0.242420 0.430171 0.183315 O\n0.774720 0.500000 0.274720 O\n0.225280 0.500000 0.725280 O\n0.853582 0.353582 0.500000 O\n0.146418 0.646418 0.500000 O\n",
"nsites": 42,
"nelements": 6,
"elements": [
"Ni",
"H",
"Pt",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-Ni-O-Pt",
"density": 2.3030458134538363,
"density_atomic": 0.10219484310065086,
"volume": 410.97964168930275,
"volume_molar": 5.892802980350823,
"formula_full": "Ni1 H20 Pt1 C4 N4 O12",
"formula_reduced": "NiH20PtC4(NO3)4",
"formula_anonymous": "ABC4D4E12F20",
"energy": -253.67535216,
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"energy_above_hull": null,
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