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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=117",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=115",
"results": [
{
"id": "mp-1095915",
"created_at": "2022-09-04T14:44:08.660395Z",
"structure_string": "Na1 Ag2 Pb1\n1.0\n-5.737424 6.153168 8.701722\n5.737424 -6.153168 8.701722\n5.737424 6.153168 -8.701722\nNa Ag Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.253477 0.253477 Ag\n0.000000 0.746523 0.746523 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.60260279664844,
"density_atomic": 0.0032552104945085696,
"volume": 1228.7991841842072,
"volume_molar": 185.00004132326157,
"formula_full": "Na1 Ag2 Pb1",
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"spacegroup": 71
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{
"id": "mp-1380415",
"created_at": "2022-09-04T14:42:50.257405Z",
"structure_string": "Mg20 Zn35\n1.0\n2.643390 12.883139 0.000000\n-2.643390 12.883139 0.000000\n0.000000 3.078217 13.801519\nMg Zn\n20 35\ndirect\n0.124406 0.124406 0.897541 Mg\n0.962722 0.962722 0.712750 Mg\n0.693404 0.693404 0.350294 Mg\n0.556500 0.556500 0.950970 Mg\n0.514718 0.514718 0.600688 Mg\n0.212690 0.212690 0.024251 Mg\n0.639805 0.639805 0.572406 Mg\n0.440561 0.440561 0.043600 Mg\n0.175777 0.175777 0.674802 Mg\n0.481033 0.481033 0.396000 Mg\n0.302676 0.302676 0.647245 Mg\n0.819392 0.819392 0.323714 Mg\n0.991317 0.991317 0.902742 Mg\n0.160106 0.160106 0.251420 Mg\n0.839894 0.839894 0.748580 Mg\n0.356066 0.356066 0.424044 Mg\n0.875594 0.875594 0.102459 Mg\n0.787310 0.787310 0.975749 Mg\n0.033274 0.033274 0.283608 Mg\n0.005024 0.005024 0.093089 Mg\n0.075822 0.075822 0.591705 Zn\n0.479684 0.479684 0.819828 Zn\n0.739570 0.739570 0.660740 Zn\n0.684584 0.174432 0.243961 Zn\n0.167196 0.654867 0.570679 Zn\n0.825568 0.315417 0.756039 Zn\n0.000000 0.500000 0.500000 Zn\n0.920186 0.920186 0.404869 Zn\n0.309663 0.309663 0.858603 Zn\n0.341408 0.830045 0.425501 Zn\n0.986763 0.474016 0.824505 Zn\n0.667748 0.667748 0.962978 Zn\n0.166651 0.166651 0.465664 Zn\n0.596194 0.596194 0.266806 Zn\n0.516616 0.516616 0.176016 Zn\n0.686762 0.686762 0.138175 Zn\n0.342039 0.867496 0.100649 Zn\n0.654867 0.167196 0.570679 Zn\n0.174432 0.684584 0.243961 Zn\n0.833349 0.833349 0.534336 Zn\n0.653382 0.128144 0.896896 Zn\n0.832804 0.345133 0.429321 Zn\n0.500000 0.000000 0.500000 Zn\n0.648038 0.648038 0.785369 Zn\n0.474016 0.986763 0.824505 Zn\n0.867496 0.342039 0.100649 Zn\n0.351962 0.351962 0.214631 Zn\n0.128144 0.653382 0.896896 Zn\n0.400032 0.400032 0.730229 Zn\n0.517085 0.014187 0.174092 Zn\n0.316118 0.818601 0.751870 Zn\n0.998430 0.998430 0.497282 Zn\n0.013237 0.525984 0.175495 Zn\n0.328355 0.328355 0.034989 Zn\n0.256753 0.256753 0.336741 Zn\n",
"nsites": 55,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Zn",
"density": 4.902721345064598,
"density_atomic": 0.05850902633112991,
"volume": 940.0258976919101,
"volume_molar": 10.292669588992803,
"formula_full": "Mg20 Zn35",
"formula_reduced": "Mg4Zn7",
"formula_anonymous": "A4B7",
"energy": -82.09792303,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.642000Z",
"spacegroup": 1
},
{
"id": "mp-1028182",
"created_at": "2022-09-04T14:47:40.102352Z",
"structure_string": "K1 Ca1 Mg14\n1.0\n6.634805 0.009587 0.000000\n-3.309100 5.731529 0.000000\n0.000000 0.000000 10.776013\nK Ca Mg\n1 1 14\ndirect\n0.167734 0.833866 0.125000 K\n0.172005 0.336002 0.125000 Ca\n0.165723 0.332861 0.625000 Mg\n0.166208 0.833103 0.625000 Mg\n0.664249 0.330337 0.125000 Mg\n0.667487 0.334039 0.625000 Mg\n0.664249 0.833911 0.125000 Mg\n0.667487 0.833447 0.625000 Mg\n0.341407 0.175033 0.392609 Mg\n0.341407 0.175033 0.857391 Mg\n0.341407 0.666375 0.392609 Mg\n0.341407 0.666375 0.857391 Mg\n0.828009 0.164005 0.378081 Mg\n0.828009 0.164005 0.871919 Mg\n0.821606 0.660804 0.384052 Mg\n0.821606 0.660804 0.865948 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Ca",
"Mg"
],
"chemical_system": "Ca-K-Mg",
"density": 1.698269241645652,
"density_atomic": 0.03901225563359269,
"volume": 410.12752890460183,
"volume_molar": 15.436535678840507,
"formula_full": "K1 Ca1 Mg14",
"formula_reduced": "KCaMg14",
"formula_anonymous": "ABC14",
"energy": -23.89167217,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 3.88e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.062000Z",
"spacegroup": 38
},
{
"id": "mp-1204417",
"created_at": "2022-09-04T14:42:15.648979Z",
"structure_string": "Yb4 Zn34\n1.0\n0.000000 0.000000 -8.704856\n-4.525822 -7.807221 0.000000\n-4.525822 7.807221 0.000000\nYb Zn\n4 34\ndirect\n0.750000 0.000188 0.999812 Yb\n0.250000 0.999812 0.000188 Yb\n0.250000 0.666759 0.333241 Yb\n0.750000 0.333241 0.666759 Yb\n0.592133 0.666637 0.333363 Zn\n0.407867 0.333363 0.666637 Zn\n0.092133 0.333363 0.666637 Zn\n0.907867 0.666637 0.333363 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.750000 0.670142 0.028903 Zn\n0.750000 0.358941 0.330049 Zn\n0.750000 0.971466 0.641764 Zn\n0.750000 0.358236 0.028534 Zn\n0.750000 0.971097 0.329858 Zn\n0.750000 0.669951 0.641059 Zn\n0.250000 0.329858 0.971097 Zn\n0.250000 0.641059 0.669951 Zn\n0.250000 0.028534 0.358236 Zn\n0.250000 0.641764 0.971466 Zn\n0.250000 0.028903 0.670142 Zn\n0.250000 0.330049 0.358941 Zn\n0.482073 0.835857 0.671700 Zn\n0.481858 0.836127 0.163873 Zn\n0.482073 0.328300 0.164143 Zn\n0.517927 0.164143 0.328300 Zn\n0.518142 0.163873 0.836127 Zn\n0.517927 0.671700 0.835857 Zn\n0.982073 0.164143 0.328300 Zn\n0.981858 0.163873 0.836127 Zn\n0.982073 0.671700 0.835857 Zn\n0.017927 0.835857 0.671700 Zn\n0.018142 0.836127 0.163873 Zn\n0.017927 0.328300 0.164143 Zn\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 7.871561945071224,
"density_atomic": 0.06177291096720991,
"volume": 615.1563752624679,
"volume_molar": 9.748837582215694,
"formula_full": "Yb4 Zn34",
"formula_reduced": "Yb2Zn17",
"formula_anonymous": "A2B17",
"energy": -56.83309378,
"energy_per_atom": -1.4956077310526315,
"energy_above_hull": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.761000Z",
"spacegroup": 194
},
{
"id": "mp-1185111",
"created_at": "2022-09-04T14:43:56.321893Z",
"structure_string": "K3 Pr1\n1.0\n-2.913011 2.913011 6.766311\n2.913011 -2.913011 6.766311\n2.913011 2.913011 -6.766311\nK Pr\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Pr"
],
"chemical_system": "K-Pr",
"density": 1.8668672136069886,
"density_atomic": 0.017416616752166787,
"volume": 229.66572997033788,
"volume_molar": 34.57698384073814,
"formula_full": "K3 Pr1",
"formula_reduced": "K3Pr",
"formula_anonymous": "AB3",
"energy": -5.98301898,
"energy_per_atom": -1.495754745,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.98301898,
"band_gap": 0.0,
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"total_magnetization": 0.0348548,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.781000Z",
"spacegroup": 139
},
{
"id": "mp-1093825",
"created_at": "2022-09-04T14:39:29.891096Z",
"structure_string": "Sr1 Mg1 Pb2\n1.0\n-6.038349 6.800592 9.616726\n6.038349 -6.800592 9.616726\n6.038349 6.800592 -9.616726\nSr Mg Pb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.233524 0.233524 Pb\n0.000000 0.766476 0.766476 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Pb"
],
"chemical_system": "Mg-Pb-Sr",
"density": 0.5532875938500602,
"density_atomic": 0.0025322572722771917,
"volume": 1579.6183285922234,
"volume_molar": 237.81709804645755,
"formula_full": "Sr1 Mg1 Pb2",
"formula_reduced": "SrMgPb2",
"formula_anonymous": "ABC2",
"energy": -5.98385943,
"energy_per_atom": -1.4959648575,
"energy_above_hull": null,
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"total_magnetization": 4.0009535,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.811000Z",
"spacegroup": 71
},
{
"id": "mp-1016582",
"created_at": "2022-09-04T14:43:17.482848Z",
"structure_string": "Ba2 Mg12 Cd2\n1.0\n5.207802 0.000000 0.000000\n0.000000 6.911415 0.000000\n0.000000 0.000000 12.206868\nBa Mg Cd\n2 12 2\ndirect\n0.500000 0.500000 0.669116 Ba\n0.500000 0.000000 0.169116 Ba\n0.500000 0.740211 0.920885 Mg\n0.500000 0.259789 0.920885 Mg\n0.000000 0.225722 0.575997 Mg\n0.000000 0.774278 0.575997 Mg\n0.000000 0.500000 0.849532 Mg\n0.000000 0.000000 0.830915 Mg\n0.500000 0.240211 0.420885 Mg\n0.500000 0.759789 0.420885 Mg\n0.000000 0.725722 0.075997 Mg\n0.000000 0.274278 0.075997 Mg\n0.000000 0.000000 0.349532 Mg\n0.000000 0.500000 0.330915 Mg\n0.500000 0.000000 0.656669 Cd\n0.500000 0.500000 0.156669 Cd\n",
"nsites": 16,
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"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 2.990023220427594,
"density_atomic": 0.0364161726232781,
"volume": 439.3652283428713,
"volume_molar": 16.536995313314453,
"formula_full": "Ba2 Mg12 Cd2",
"formula_reduced": "BaMg6Cd",
"formula_anonymous": "ABC6",
"energy": -23.93729436,
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"updated_at": "2021-11-28T01:36:01.980000Z",
"spacegroup": 38
},
{
"id": "mp-1094469",
"created_at": "2022-09-04T14:41:10.412125Z",
"structure_string": "Mg4 Zn2\n1.0\n1.552875 -7.766528 0.000000\n1.552875 7.766528 0.000000\n0.000000 0.000000 4.955293\nMg Zn\n4 2\ndirect\n0.621753 0.378247 0.250000 Mg\n0.939597 0.060403 0.250000 Mg\n0.060403 0.939597 0.750000 Mg\n0.378247 0.621753 0.750000 Mg\n0.277785 0.722215 0.250000 Zn\n0.722215 0.277785 0.750000 Zn\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Mg-Zn",
"density": 3.168061296157717,
"density_atomic": 0.05019824170102249,
"volume": 119.52609885692044,
"volume_molar": 11.996716530167502,
"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy": -8.98083125,
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"updated_at": "2021-11-28T01:35:09.150000Z",
"spacegroup": 63
},
{
"id": "mp-1094458",
"created_at": "2022-09-04T14:44:11.870255Z",
"structure_string": "Mg4 Zn2\n1.0\n1.531882 5.800778 0.000000\n-1.531882 5.800778 0.000000\n0.000000 1.915781 6.733536\nMg Zn\n4 2\ndirect\n0.301365 0.301365 0.155468 Mg\n0.025264 0.025264 0.218592 Mg\n0.974736 0.974736 0.781408 Mg\n0.698635 0.698635 0.844532 Mg\n0.641550 0.641550 0.474361 Zn\n0.358450 0.358450 0.525639 Zn\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Mg-Zn",
"density": 3.1642557697439377,
"density_atomic": 0.050137942762062494,
"volume": 119.66984821204063,
"volume_molar": 12.011144511012384,
"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy": -8.98525055,
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"updated_at": "2021-11-28T01:36:33.254000Z",
"spacegroup": 12
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{
"id": "mp-1094790",
"created_at": "2022-09-04T14:42:20.632226Z",
"structure_string": "Sr2 Mg2\n1.0\n2.035092 -3.524882 0.000000\n2.035092 3.524882 0.000000\n0.000000 0.000000 11.109896\nSr Mg\n2 2\ndirect\n0.666667 0.333333 0.161368 Sr\n0.333333 0.666667 0.838632 Sr\n0.333333 0.666667 0.408498 Mg\n0.666667 0.333333 0.591502 Mg\n",
"nsites": 4,
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"elements": [
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"density": 2.332048492789627,
"density_atomic": 0.025095241076753642,
"volume": 159.3927704366746,
"volume_molar": 23.997142492400528,
"formula_full": "Sr2 Mg2",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -5.99241568,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:45.362000Z",
"spacegroup": 164
},
{
"id": "mp-1094862",
"created_at": "2022-09-04T14:42:43.149707Z",
"structure_string": "Mg1 Zn1\n1.0\n3.055511 0.000000 0.000000\n0.000000 3.055511 0.000000\n0.000000 0.000000 3.832878\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
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"elements": [
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"density": 4.163097853250339,
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"volume": 35.78431424681532,
"volume_molar": 10.774908869719763,
"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:56.616000Z",
"spacegroup": 123
},
{
"id": "mp-1097156",
"created_at": "2022-09-04T14:43:01.484187Z",
"structure_string": "Ca1 Tl2 Pb1\n1.0\n-6.233171 6.751380 9.270306\n6.233171 -6.751380 9.270306\n6.233171 6.751380 -9.270306\nCa Tl Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.266097 0.266097 Tl\n0.000000 0.733903 0.733903 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.698114738892654,
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"volume": 1560.470832430714,
"volume_molar": 234.9343751193033,
"formula_full": "Ca1 Tl2 Pb1",
"formula_reduced": "CaTl2Pb",
"formula_anonymous": "ABC2",
"energy": -5.9925486,
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"total_magnetization": 5.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.752000Z",
"spacegroup": 71
}
]
}