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{
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"results": [
{
"id": "mp-1016219",
"created_at": "2022-09-04T14:45:55.270790Z",
"structure_string": "Na1 Mg3\n1.0\n3.163250 0.000000 0.000000\n0.000000 5.434425 0.000000\n0.000000 0.000000 5.909100\nNa Mg\n1 3\ndirect\n0.500000 0.000000 0.160262 Na\n0.000000 0.000000 0.661411 Mg\n0.000000 0.500000 0.349921 Mg\n0.500000 0.500000 0.828407 Mg\n",
"nsites": 4,
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"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.56776457344927,
"density_atomic": 0.039377807856671276,
"volume": 101.58005784779438,
"volume_molar": 15.29323516920901,
"formula_full": "Na1 Mg3",
"formula_reduced": "NaMg3",
"formula_anonymous": "AB3",
"energy": -5.76551477,
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"updated_at": "2021-11-28T01:37:16.016000Z",
"spacegroup": 25
},
{
"id": "mp-1094483",
"created_at": "2022-09-04T14:39:35.753923Z",
"structure_string": "Mg2 Zn4\n1.0\n1.490278 -7.321953 0.000000\n1.490278 7.321953 0.000000\n0.000000 0.000000 4.669748\nMg Zn\n2 4\ndirect\n0.110203 0.889797 0.250000 Mg\n0.889797 0.110203 0.750000 Mg\n0.443334 0.556666 0.250000 Zn\n0.779339 0.220661 0.250000 Zn\n0.220661 0.779339 0.750000 Zn\n0.556666 0.443334 0.750000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.055191600963234,
"density_atomic": 0.05887536097217849,
"volume": 101.9102031974852,
"volume_molar": 10.228626475590966,
"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy": -8.64373177,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.727000Z",
"spacegroup": 63
},
{
"id": "mp-1094697",
"created_at": "2022-09-04T14:45:19.586308Z",
"structure_string": "Mg4 Cd2\n1.0\n2.708828 -4.720847 0.000000\n2.708828 4.720847 0.000000\n0.000000 0.000000 5.143329\nMg Cd\n4 2\ndirect\n0.665395 0.993214 0.750000 Mg\n0.993214 0.665395 0.750000 Mg\n0.006786 0.334605 0.250000 Mg\n0.334605 0.006786 0.250000 Mg\n0.328890 0.328890 0.750000 Cd\n0.671110 0.671110 0.250000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 4.065237809303619,
"density_atomic": 0.0456116301332634,
"volume": 131.54539713818193,
"volume_molar": 13.203081631603881,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy": -8.64247878,
"energy_per_atom": -1.4404131299999998,
"energy_above_hull": null,
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"energy_uncorrected": -8.64247878,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 0.0004087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.869000Z",
"spacegroup": 63
},
{
"id": "mp-1185006",
"created_at": "2022-09-04T14:43:07.585113Z",
"structure_string": "K1 Sr3\n1.0\n6.152297 0.000000 0.000000\n0.000000 6.152297 0.000000\n0.000000 0.000000 6.152297\nK Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Sr"
],
"chemical_system": "K-Sr",
"density": 2.153199106789474,
"density_atomic": 0.01717703154359202,
"volume": 232.8691072056755,
"volume_molar": 35.05926355620271,
"formula_full": "K1 Sr3",
"formula_reduced": "KSr3",
"formula_anonymous": "AB3",
"energy": -5.75997467,
"energy_per_atom": -1.4399936675,
"energy_above_hull": null,
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"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.600000Z",
"spacegroup": 221
},
{
"id": "mp-1094477",
"created_at": "2022-09-04T14:46:34.076379Z",
"structure_string": "Mg1 Zn1\n1.0\n4.503313 -1.582605 0.000000\n4.503313 1.582605 0.000000\n3.947136 0.000000 2.684135\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 3.8937700512121878,
"density_atomic": 0.052274631258389145,
"volume": 38.25947599925032,
"volume_molar": 11.520197493566355,
"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -2.87920174,
"energy_per_atom": -1.43960087,
"energy_above_hull": null,
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"energy_uncorrected": -2.87920174,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.431000Z",
"spacegroup": 166
},
{
"id": "mp-1097464",
"created_at": "2022-09-04T14:47:07.532991Z",
"structure_string": "Hf1 Mg1 Zn2\n1.0\n-5.584692 5.618520 7.933105\n5.584692 -5.618520 7.933105\n5.584692 5.618520 -7.933105\nHf Mg Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.000000 0.251739 0.251739 Zn\n0.000000 0.748261 0.748261 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Zn"
],
"chemical_system": "Hf-Mg-Zn",
"density": 0.556375133669117,
"density_atomic": 0.0040173127204001305,
"volume": 995.6904723119472,
"volume_molar": 149.90470444133572,
"formula_full": "Hf1 Mg1 Zn2",
"formula_reduced": "HfMgZn2",
"formula_anonymous": "ABC2",
"energy": -5.75232716,
"energy_per_atom": -1.43808179,
"energy_above_hull": null,
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"is_magnetic": true,
"total_magnetization": 2.0018791,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.586000Z",
"spacegroup": 71
},
{
"id": "mp-1039255",
"created_at": "2022-09-04T14:47:18.932203Z",
"structure_string": "Mg4 Cd2\n1.0\n1.613292 -8.089837 0.000000\n1.613292 8.089837 0.000000\n0.000000 0.000000 5.153413\nMg Cd\n4 2\ndirect\n0.612692 0.387308 0.250000 Mg\n0.943571 0.056429 0.250000 Mg\n0.056429 0.943571 0.750000 Mg\n0.387308 0.612692 0.750000 Mg\n0.279447 0.720553 0.250000 Cd\n0.720553 0.279447 0.750000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.9754282246437467,
"density_atomic": 0.044603974062429545,
"volume": 134.51716189239448,
"volume_molar": 13.501354725861793,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy": -8.62516455,
"energy_per_atom": -1.4375274249999999,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 2.04e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.279000Z",
"spacegroup": 63
},
{
"id": "mp-1205088",
"created_at": "2022-09-04T14:42:23.308558Z",
"structure_string": "La26 Hg116\n1.0\n0.000000 0.000000 -15.833039\n-8.183874 -14.174713 0.000000\n-8.183874 14.174713 0.000000\nLa Hg\n26 116\ndirect\n0.500000 0.000000 -0.000000 La\n-0.000000 0.000000 -0.000000 La\n0.750000 0.456060 0.912120 La\n0.750000 0.456064 0.543936 La\n0.750000 0.087880 0.543940 La\n0.250000 0.543940 0.087880 La\n0.250000 0.543936 0.456064 La\n0.250000 0.912120 0.456060 La\n0.750000 0.125732 0.251460 La\n0.750000 0.125721 0.874279 La\n0.750000 0.748540 0.874268 La\n0.250000 0.874268 0.748540 La\n0.250000 0.874279 0.125721 La\n0.250000 0.251460 0.125732 La\n0.554182 0.794203 0.588412 La\n0.554201 0.794204 0.205796 La\n0.554182 0.411588 0.205797 La\n0.445818 0.205797 0.411588 La\n0.445799 0.205796 0.794204 La\n0.445818 0.588412 0.794203 La\n0.054182 0.205797 0.411588 La\n0.054201 0.205796 0.794204 La\n0.054182 0.588412 0.794203 La\n0.945818 0.794203 0.588412 La\n0.945799 0.794204 0.205796 La\n0.945818 0.411588 0.205797 La\n0.750000 0.999998 0.000002 Hg\n0.250000 0.000002 0.999998 Hg\n0.250000 0.666673 0.333327 Hg\n0.750000 0.333327 0.666673 Hg\n0.592256 0.666679 0.333321 Hg\n0.407744 0.333321 0.666679 Hg\n0.092256 0.333321 0.666679 Hg\n0.907744 0.666679 0.333321 Hg\n0.500000 0.500000 -0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n-0.000000 0.500000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n-0.000000 0.000000 0.500000 Hg\n0.750000 0.732958 0.465919 Hg\n0.750000 0.732967 0.267033 Hg\n0.750000 0.534081 0.267042 Hg\n0.250000 0.267042 0.534081 Hg\n0.250000 0.267033 0.732967 Hg\n0.250000 0.465919 0.732958 Hg\n0.499999 0.801521 0.000001 Hg\n0.500000 0.198481 0.198481 Hg\n0.500001 0.000001 0.801521 Hg\n0.500001 0.198479 0.999999 Hg\n0.499999 0.999999 0.198479 Hg\n0.500000 0.801519 0.801519 Hg\n0.999999 0.198479 0.999999 Hg\n-0.000000 0.801519 0.801519 Hg\n0.000001 0.999999 0.198479 Hg\n0.000001 0.801521 0.000001 Hg\n0.999999 0.000001 0.801521 Hg\n-0.000000 0.198481 0.198481 Hg\n0.750000 0.921149 0.645676 Hg\n0.750000 0.724528 0.078843 Hg\n0.750000 0.354321 0.275473 Hg\n0.750000 0.724527 0.645679 Hg\n0.750000 0.354324 0.078851 Hg\n0.750000 0.921157 0.275472 Hg\n0.250000 0.078851 0.354324 Hg\n0.250000 0.275472 0.921157 Hg\n0.250000 0.645679 0.724527 Hg\n0.250000 0.275473 0.354321 Hg\n0.250000 0.645676 0.921149 Hg\n0.250000 0.078843 0.724528 Hg\n0.656716 0.906605 0.813209 Hg\n0.656718 0.906604 0.093396 Hg\n0.656716 0.186791 0.093395 Hg\n0.343284 0.093395 0.186791 Hg\n0.343282 0.093396 0.906604 Hg\n0.343284 0.813209 0.906605 Hg\n0.156716 0.093395 0.186791 Hg\n0.156718 0.093396 0.906604 Hg\n0.156716 0.813209 0.906605 Hg\n0.843284 0.906605 0.813209 Hg\n0.843282 0.906604 0.093396 Hg\n0.843284 0.186791 0.093395 Hg\n0.148122 0.440060 0.880122 Hg\n0.148115 0.440058 0.559942 Hg\n0.148122 0.119878 0.559940 Hg\n0.851878 0.559940 0.119878 Hg\n0.851885 0.559942 0.440058 Hg\n0.851878 0.880122 0.440060 Hg\n0.648122 0.559940 0.119878 Hg\n0.648115 0.559942 0.440058 Hg\n0.648122 0.880122 0.440060 Hg\n0.351878 0.440060 0.880122 Hg\n0.351885 0.440058 0.559942 Hg\n0.351878 0.119878 0.559940 Hg\n0.557254 0.399137 0.798279 Hg\n0.557242 0.399133 0.600867 Hg\n0.557254 0.201721 0.600863 Hg\n0.442746 0.600863 0.201721 Hg\n0.442758 0.600867 0.399133 Hg\n0.442746 0.798279 0.399137 Hg\n0.057254 0.600863 0.201721 Hg\n0.057242 0.600867 0.399133 Hg\n0.057254 0.798279 0.399137 Hg\n0.942746 0.399137 0.798279 Hg\n0.942758 0.399133 0.600867 Hg\n0.942746 0.201721 0.600863 Hg\n0.158392 0.767916 0.535836 Hg\n0.158391 0.767923 0.232077 Hg\n0.158392 0.464164 0.232084 Hg\n0.841608 0.232084 0.464164 Hg\n0.841609 0.232077 0.767923 Hg\n0.841608 0.535836 0.767916 Hg\n0.658392 0.232084 0.464164 Hg\n0.658391 0.232077 0.767923 Hg\n0.658392 0.535836 0.767916 Hg\n0.341608 0.767916 0.535836 Hg\n0.341609 0.767923 0.232077 Hg\n0.341608 0.464164 0.232084 Hg\n0.603001 0.636806 0.962936 Hg\n0.603000 0.326138 0.363198 Hg\n0.603000 0.037058 0.673862 Hg\n0.603000 0.326138 0.962942 Hg\n0.603001 0.037064 0.363194 Hg\n0.603000 0.636802 0.673862 Hg\n0.396999 0.363194 0.037064 Hg\n0.397000 0.673862 0.636802 Hg\n0.397000 0.962942 0.326138 Hg\n0.397000 0.673862 0.037058 Hg\n0.396999 0.962936 0.636806 Hg\n0.397000 0.363198 0.326138 Hg\n0.103001 0.363194 0.037064 Hg\n0.103000 0.673862 0.636802 Hg\n0.103000 0.962942 0.326138 Hg\n0.103000 0.673862 0.037058 Hg\n0.103001 0.962936 0.636806 Hg\n0.103000 0.363198 0.326138 Hg\n0.896999 0.636806 0.962936 Hg\n0.897000 0.326138 0.363198 Hg\n0.897000 0.037058 0.673862 Hg\n0.897000 0.326138 0.962942 Hg\n0.896999 0.037064 0.363194 Hg\n0.897000 0.636802 0.673862 Hg\n",
"nsites": 142,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 12.150959930956418,
"density_atomic": 0.038656351224346325,
"volume": 3673.3937762487617,
"volume_molar": 15.578658019350694,
"formula_full": "La26 Hg116",
"formula_reduced": "La13Hg58",
"formula_anonymous": "A13B58",
"energy": -204.01957783,
"energy_per_atom": -1.4367575903521126,
"energy_above_hull": null,
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"energy_uncorrected": -204.01957783,
"band_gap": 0.0858999999999996,
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"updated_at": "2021-11-28T01:35:48.270000Z",
"spacegroup": 194
},
{
"id": "mp-1194047",
"created_at": "2022-09-04T14:44:22.321282Z",
"structure_string": "Yb2 Zn26\n1.0\n0.000000 6.108051 6.108051\n6.108051 0.000000 6.108051\n6.108051 6.108051 0.000000\nYb Zn\n2 26\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.801461 0.559186 0.198539 Zn\n0.198539 0.440814 0.801461 Zn\n0.559186 0.801461 0.440814 Zn\n0.440814 0.198539 0.559186 Zn\n0.301461 0.940814 0.698539 Zn\n0.698539 0.059186 0.301461 Zn\n0.940814 0.301461 0.059186 Zn\n0.059186 0.698539 0.940814 Zn\n0.198539 0.801461 0.559186 Zn\n0.801461 0.198539 0.440814 Zn\n0.440814 0.559186 0.801461 Zn\n0.559186 0.440814 0.198539 Zn\n0.698539 0.301461 0.940814 Zn\n0.301461 0.698539 0.059186 Zn\n0.059186 0.940814 0.301461 Zn\n0.940814 0.059186 0.698539 Zn\n0.559186 0.198539 0.801461 Zn\n0.440814 0.801461 0.198539 Zn\n0.801461 0.440814 0.559186 Zn\n0.198539 0.559186 0.440814 Zn\n0.940814 0.698539 0.301461 Zn\n0.059186 0.301461 0.698539 Zn\n0.301461 0.059186 0.940814 Zn\n0.698539 0.940814 0.059186 Zn\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 7.457071345988418,
"density_atomic": 0.061435595443030726,
"volume": 455.7618396645056,
"volume_molar": 9.80236411248644,
"formula_full": "Yb2 Zn26",
"formula_reduced": "YbZn13",
"formula_anonymous": "AB13",
"energy": -40.22812018,
"energy_per_atom": -1.4367185778571427,
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"updated_at": "2021-11-28T01:36:36.103000Z",
"spacegroup": 226
},
{
"id": "mp-973278",
"created_at": "2022-09-04T14:45:30.898666Z",
"structure_string": "K1 Sr3\n1.0\n0.000000 4.895331 4.895331\n4.895331 0.000000 4.895331\n4.895331 4.895331 0.000000\nK Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.1370756060283345,
"density_atomic": 0.017048407172397584,
"volume": 234.62602456352903,
"volume_molar": 35.323773647019735,
"formula_full": "K1 Sr3",
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"energy": -5.74453168,
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"updated_at": "2021-11-28T01:36:59.476000Z",
"spacegroup": 225
},
{
"id": "mp-1094457",
"created_at": "2022-09-04T14:45:14.766373Z",
"structure_string": "Sr2 Mg4\n1.0\n1.858169 -3.218443 0.000000\n1.858169 3.218443 0.000000\n0.000000 0.000000 16.864613\nSr Mg\n2 4\ndirect\n0.666667 0.333333 0.750000 Sr\n0.333333 0.666667 0.250000 Sr\n0.333333 0.666667 0.926362 Mg\n0.333333 0.666667 0.573638 Mg\n0.666667 0.333333 0.426362 Mg\n0.666667 0.333333 0.073638 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
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},
{
"id": "mp-1010048",
"created_at": "2022-09-04T14:41:52.170840Z",
"structure_string": "Br1\n1.0\n-1.437199 1.437199 4.380070\n1.437199 -1.437199 4.380070\n1.437199 1.437199 -4.380070\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
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}
]
}