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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12142",
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"results": [
{
"id": "mp-1097526",
"created_at": "2022-09-04T14:40:11.721314Z",
"structure_string": "Li1 Hg2 Au1\n1.0\n-5.401849 5.578494 7.871062\n5.401849 -5.578494 7.871062\n5.401849 5.578494 -7.871062\nLi Hg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.244469 0.244469 Hg\n0.000000 0.755531 0.755531 Hg\n0.000000 0.500000 0.500000 Au\n",
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{
"id": "mp-1096051",
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"structure_string": "Li1 Cd2 Cu1\n1.0\n-5.376745 5.456442 7.709052\n5.376745 -5.456442 7.709052\n5.376745 5.456442 -7.709052\nLi Cd Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.261587 0.261587 Cd\n0.000000 0.738413 0.738413 Cd\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 4,
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"formula_full": "Li1 Cd2 Cu1",
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"updated_at": "2021-11-28T01:38:21.635000Z",
"spacegroup": 71
},
{
"id": "mp-1093583",
"created_at": "2022-09-04T14:48:12.060693Z",
"structure_string": "Na2 Hg1 Bi1\n1.0\n-6.194895 6.387509 9.005080\n6.194895 -6.387509 9.005080\n6.194895 6.387509 -9.005080\nNa Hg Bi\n2 1 1\ndirect\n0.000000 0.259856 0.259856 Na\n0.000000 0.740144 0.740144 Na\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Bi-Hg-Na",
"density": 0.5307280583351984,
"density_atomic": 0.0028063830576147554,
"volume": 1425.322173730532,
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"formula_full": "Na2 Hg1 Bi1",
"formula_reduced": "Na2HgBi",
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"energy": -4.45521744,
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"band_gap": 0.0071000000000003,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.495000Z",
"spacegroup": 71
},
{
"id": "mp-569954",
"created_at": "2022-09-04T14:47:10.263544Z",
"structure_string": "Sr2 Cd22\n1.0\n-6.090683 6.090683 3.920792\n6.090683 -6.090683 3.920792\n6.090683 6.090683 -3.920792\nSr Cd\n2 22\ndirect\n0.750000 0.250000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.995489 0.320358 0.915642 Cd\n0.125000 0.875000 0.750000 Cd\n0.679642 0.595284 0.675131 Cd\n0.404716 0.320358 0.324869 Cd\n0.679642 0.004511 0.084358 Cd\n0.845284 0.429642 0.175131 Cd\n0.404716 0.079848 0.084358 Cd\n0.000000 0.000000 0.000000 Cd\n0.845284 0.670152 0.415642 Cd\n0.250000 0.750000 0.500000 Cd\n0.329848 0.745489 0.175131 Cd\n0.125000 0.875000 0.250000 Cd\n0.254511 0.429642 0.584358 Cd\n0.570358 0.745489 0.415642 Cd\n0.995489 0.079848 0.675131 Cd\n0.920152 0.004511 0.324869 Cd\n0.329848 0.154716 0.584358 Cd\n0.254511 0.670152 0.824869 Cd\n0.570358 0.154716 0.824869 Cd\n0.920152 0.595284 0.915642 Cd\n0.625000 0.875000 0.750000 Cd\n0.125000 0.375000 0.250000 Cd\n",
"nsites": 24,
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"elements": [
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],
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"density": 7.558707478258614,
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"volume": 581.7893777504273,
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"formula_full": "Sr2 Cd22",
"formula_reduced": "SrCd11",
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"updated_at": "2021-11-28T01:37:53.682000Z",
"spacegroup": 141
},
{
"id": "mp-570752",
"created_at": "2022-09-04T14:39:08.729714Z",
"structure_string": "H2\n1.0\n2.565599 -4.443747 0.000000\n2.565599 4.443747 0.000000\n0.000000 0.000000 3.811892\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
"nsites": 2,
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"elements": [
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"chemical_system": "H",
"density": 0.03851279942818898,
"density_atomic": 0.02301024855629813,
"volume": 86.91779209193203,
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"formula_full": "H2",
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"energy": -2.22412334,
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"updated_at": "2021-11-28T01:34:30.676000Z",
"spacegroup": 194
},
{
"id": "mp-1039157",
"created_at": "2022-09-04T14:48:10.746599Z",
"structure_string": "Mg1 Cd1\n1.0\n0.000000 2.967908 2.967908\n2.967908 0.000000 2.967908\n2.967908 2.967908 0.000000\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 4.341973233803538,
"density_atomic": 0.03825151993790555,
"volume": 52.28550403347735,
"volume_molar": 15.74353324985742,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -2.22348702,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.073000Z",
"spacegroup": 225
},
{
"id": "mp-1184861",
"created_at": "2022-09-04T14:47:32.646504Z",
"structure_string": "K3 Be1\n1.0\n0.000000 4.483526 4.483526\n4.483526 0.000000 4.483526\n4.483526 4.483526 0.000000\nK Be\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Be\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-K",
"density": 1.1635571683158192,
"density_atomic": 0.022190695696149107,
"volume": 180.25572766040614,
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"formula_full": "K3 Be1",
"formula_reduced": "K3Be",
"formula_anonymous": "AB3",
"energy": -4.44644407,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.501000Z",
"spacegroup": 225
},
{
"id": "mp-1096321",
"created_at": "2022-09-04T14:46:59.865391Z",
"structure_string": "Mg2 Zn1 Au1\n1.0\n-5.371416 5.643807 7.976551\n5.371416 -5.643807 7.976551\n5.371416 5.643807 -7.976551\nMg Zn Au\n2 1 1\ndirect\n0.000000 0.257701 0.257701 Mg\n0.000000 0.742299 0.742299 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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],
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"volume": 967.2440792600221,
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"formula_full": "Mg2 Zn1 Au1",
"formula_reduced": "Mg2ZnAu",
"formula_anonymous": "ABC2",
"energy": -4.44529982,
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"updated_at": "2021-11-28T01:37:45.977000Z",
"spacegroup": 71
},
{
"id": "mp-1184905",
"created_at": "2022-09-04T14:39:44.026482Z",
"structure_string": "K20\n1.0\n11.435131 0.000000 0.000000\n0.000000 11.435131 0.000000\n0.000000 0.000000 11.435131\nK\n20\ndirect\n0.875000 0.702742 0.047258 K\n0.062133 0.062133 0.062133 K\n0.202742 0.452742 0.125000 K\n0.812133 0.312133 0.187867 K\n0.452742 0.125000 0.202742 K\n0.547258 0.625000 0.297258 K\n0.187867 0.812133 0.312133 K\n0.797258 0.952742 0.375000 K\n0.937867 0.562133 0.437867 K\n0.125000 0.202742 0.452742 K\n0.625000 0.297258 0.547258 K\n0.437867 0.937867 0.562133 K\n0.297258 0.547258 0.625000 K\n0.687867 0.687867 0.687867 K\n0.047258 0.875000 0.702742 K\n0.952742 0.375000 0.797258 K\n0.312133 0.187867 0.812133 K\n0.702742 0.047258 0.875000 K\n0.562133 0.437867 0.937867 K\n0.375000 0.797258 0.952742 K\n",
"nsites": 20,
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"formula_full": "K20",
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"updated_at": "2021-11-28T01:34:27.190000Z",
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},
{
"id": "mp-1038869",
"created_at": "2022-09-04T14:43:23.853342Z",
"structure_string": "Mg1 Cd3\n1.0\n1.634658 -2.831310 0.000000\n1.634658 2.831310 0.000000\n0.000000 0.000000 9.630780\nMg Cd\n1 3\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.747313 Cd\n0.666667 0.333333 0.252687 Cd\n",
"nsites": 4,
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"formula_full": "Mg1 Cd3",
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},
{
"id": "mp-1228983",
"created_at": "2022-09-04T14:39:34.760168Z",
"structure_string": "Cs1 Zn8\n1.0\n-1.469672 3.555474 8.600846\n1.469672 -3.555474 8.600846\n1.469672 3.555474 -8.600846\nCs Zn\n1 8\ndirect\n0.749399 0.749399 0.000000 Cs\n0.316953 0.816953 0.500000 Zn\n0.183645 0.183645 0.000000 Zn\n0.537154 0.037154 0.500000 Zn\n0.962990 0.962990 0.000000 Zn\n0.880845 0.580733 0.300112 Zn\n0.620156 0.418697 0.201459 Zn\n0.217238 0.418697 0.798541 Zn\n0.280620 0.580733 0.699888 Zn\n",
"nsites": 9,
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],
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"formula_full": "Cs1 Zn8",
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"formula_anonymous": "AB8",
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"updated_at": "2021-11-28T01:34:27.527000Z",
"spacegroup": 44
},
{
"id": "mp-1017323",
"created_at": "2022-09-04T14:39:46.765297Z",
"structure_string": "Cs2 Rb2 Mg12\n1.0\n5.436629 0.000000 0.000000\n0.000000 8.182370 0.000000\n0.000000 0.000000 12.496405\nCs Rb Mg\n2 2 12\ndirect\n0.000000 0.000000 0.661498 Cs\n0.000000 0.500000 0.161498 Cs\n0.500000 0.000000 0.842069 Rb\n0.500000 0.500000 0.342069 Rb\n0.500000 0.309935 0.590681 Mg\n0.500000 0.690065 0.590681 Mg\n0.500000 0.000000 0.334019 Mg\n0.000000 0.191933 0.407809 Mg\n0.000000 0.808067 0.407809 Mg\n0.000000 0.000000 0.165434 Mg\n0.500000 0.809935 0.090681 Mg\n0.500000 0.190065 0.090681 Mg\n0.500000 0.500000 0.834019 Mg\n0.000000 0.691933 0.907809 Mg\n0.000000 0.308067 0.907809 Mg\n0.000000 0.500000 0.665434 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.1758502831892654,
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"volume": 555.8964535705645,
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"formula_full": "Cs2 Rb2 Mg12",
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}
]
}