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{
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"results": [
{
"id": "mp-1097617",
"created_at": "2022-09-04T14:47:11.708874Z",
"structure_string": "Li1 Sc2 Hg1\n1.0\n-5.938288 5.952864 8.331626\n5.938288 -5.952864 8.331626\n5.938288 5.952864 -8.331626\nLi Sc Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257527 0.257527 Sc\n0.000000 0.742473 0.742473 Sc\n0.000000 0.500000 0.500000 Hg\n",
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"elements": [
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"chemical_system": "Hg-Li-Sc",
"density": 0.41925245855914656,
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"volume": 1178.085946184495,
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"formula_full": "Li1 Sc2 Hg1",
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{
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"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Hg-In",
"density": 0.70384887689947,
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"volume": 1179.4930318915287,
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"formula_full": "In2 Ga1 Hg1",
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"updated_at": "2021-11-28T01:34:58.055000Z",
"spacegroup": 71
},
{
"id": "mp-1096138",
"created_at": "2022-09-04T14:40:36.035438Z",
"structure_string": "La1 Y1 Al2\n1.0\n-5.863037 5.973706 8.431442\n5.863037 -5.973706 8.431442\n5.863037 5.973706 -8.431442\nLa Y Al\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.250346 0.250346 Al\n0.000000 0.749654 0.749654 Al\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-La-Y",
"density": 0.39611592173529653,
"density_atomic": 0.0033863486001509085,
"volume": 1181.2132985427859,
"volume_molar": 177.83581878521397,
"formula_full": "La1 Y1 Al2",
"formula_reduced": "LaYAl2",
"formula_anonymous": "ABC2",
"energy": -9.66716319,
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"energy_above_hull": null,
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"energy_uncorrected": -9.66716319,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.5906291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.892000Z",
"spacegroup": 71
},
{
"id": "mp-1093910",
"created_at": "2022-09-04T14:41:55.143120Z",
"structure_string": "Sc2 Zn1 Ni1\n1.0\n-5.158670 6.324736 9.051557\n5.158670 -6.324736 9.051557\n5.158670 6.324736 -9.051557\nSc Zn Ni\n2 1 1\ndirect\n0.500000 0.711802 0.211802 Sc\n0.500000 0.288198 0.788198 Sc\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Ni"
],
"chemical_system": "Ni-Sc-Zn",
"density": 0.30083496052636144,
"density_atomic": 0.0033860748964888747,
"volume": 1181.308778535207,
"volume_molar": 177.8501936340671,
"formula_full": "Sc2 Zn1 Ni1",
"formula_reduced": "Sc2ZnNi",
"formula_anonymous": "ABC2",
"energy": -11.41907646,
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"energy_above_hull": null,
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"energy_uncorrected": -11.41907646,
"band_gap": 0.0602999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8482848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.849000Z",
"spacegroup": 71
},
{
"id": "mp-1095935",
"created_at": "2022-09-04T14:44:00.296417Z",
"structure_string": "Sc2 Tl1 In1\n1.0\n-5.714497 5.977658 8.651862\n5.714497 -5.977658 8.651862\n5.714497 5.977658 -8.651862\nSc Tl In\n2 1 1\ndirect\n0.000000 0.249863 0.249863 Sc\n0.000000 0.750137 0.750137 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "In-Sc-Tl",
"density": 0.5746638270997041,
"density_atomic": 0.0033836181287312276,
"volume": 1182.1664998289568,
"volume_molar": 177.97932659316234,
"formula_full": "Sc2 Tl1 In1",
"formula_reduced": "Sc2TlIn",
"formula_anonymous": "ABC2",
"energy": -9.80350158,
"energy_per_atom": -2.450875395,
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"is_stable": null,
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"energy_uncorrected": -9.80350158,
"band_gap": 0.1050999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0008724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.773000Z",
"spacegroup": 71
},
{
"id": "mp-1096646",
"created_at": "2022-09-04T14:40:37.945569Z",
"structure_string": "Li2 Y1 Ga1\n1.0\n-5.803646 5.999582 8.494345\n5.803646 -5.999582 8.494345\n5.803646 5.999582 -8.494345\nLi Y Ga\n2 1 1\ndirect\n0.000000 0.233642 0.233642 Li\n0.000000 0.766358 0.766358 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Y",
"Ga"
],
"chemical_system": "Ga-Li-Y",
"density": 0.24213285197409606,
"density_atomic": 0.003381023553503235,
"volume": 1183.0736866223292,
"volume_molar": 178.11590675729488,
"formula_full": "Li2 Y1 Ga1",
"formula_reduced": "Li2YGa",
"formula_anonymous": "ABC2",
"energy": -6.29997234,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.29997234,
"band_gap": 0.0522,
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"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.890000Z",
"spacegroup": 71
},
{
"id": "mp-1097361",
"created_at": "2022-09-04T14:46:21.410315Z",
"structure_string": "Na1 Hg2 Au1\n1.0\n-5.712176 6.060715 8.545684\n5.712176 -6.060715 8.545684\n5.712176 6.060715 -8.545684\nNa Hg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.258092 0.258092 Hg\n0.000000 0.741908 0.741908 Hg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Na",
"density": 0.8715730074526999,
"density_atomic": 0.003380085827755567,
"volume": 1183.4019027428267,
"volume_molar": 178.16532084922832,
"formula_full": "Na1 Hg2 Au1",
"formula_reduced": "NaHg2Au",
"formula_anonymous": "ABC2",
"energy": -3.96132233,
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"energy_uncorrected": -3.96132233,
"band_gap": 1.3268999999999995,
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"total_magnetization": 0.0036745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.520000Z",
"spacegroup": 71
},
{
"id": "mp-1097107",
"created_at": "2022-09-04T14:48:20.691091Z",
"structure_string": "Hf1 Zr1 Hg2\n1.0\n-5.743174 6.020455 8.558003\n5.743174 -6.020455 8.558003\n5.743174 6.020455 -8.558003\nHf Zr Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zr\n0.000000 0.250532 0.250532 Hg\n0.000000 0.749468 0.749468 Hg\n",
"nsites": 4,
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"elements": [
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"Zr",
"Hg"
],
"chemical_system": "Hf-Hg-Zr",
"density": 0.9412159773015587,
"density_atomic": 0.003379451956839523,
"volume": 1183.6238689248348,
"volume_molar": 178.19873863902862,
"formula_full": "Hf1 Zr1 Hg2",
"formula_reduced": "HfZrHg2",
"formula_anonymous": "ABC2",
"energy": -8.61753312,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -8.61753312,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.0008695,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:56.557000Z",
"spacegroup": 71
},
{
"id": "mp-1093682",
"created_at": "2022-09-04T14:42:28.199308Z",
"structure_string": "Mg1 Sc2 Zn1\n1.0\n-5.863524 5.941002 8.496542\n5.863524 -5.941002 8.496542\n5.863524 5.941002 -8.496542\nMg Sc Zn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.262711 0.262711 Sc\n0.000000 0.737289 0.737289 Sc\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sc",
"Zn"
],
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"density": 0.251940081374454,
"density_atomic": 0.003378620289356912,
"volume": 1183.9152249811896,
"volume_molar": 178.2426033185948,
"formula_full": "Mg1 Sc2 Zn1",
"formula_reduced": "MgSc2Zn",
"formula_anonymous": "ABC2",
"energy": -6.87898948,
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"energy_above_hull": null,
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"energy_uncorrected": -6.87898948,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:49.924000Z",
"spacegroup": 71
},
{
"id": "mp-1097134",
"created_at": "2022-09-04T14:43:10.658600Z",
"structure_string": "La2 Cd1 Ag1\n1.0\n-5.849968 6.021407 8.404536\n5.849968 -6.021407 8.404536\n5.849968 6.021407 -8.404536\nLa Cd Ag\n2 1 1\ndirect\n0.000000 0.238918 0.238918 La\n0.000000 0.761082 0.761082 La\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"density": 0.6984443933760851,
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"volume": 1184.2004087974733,
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"formula_full": "La2 Cd1 Ag1",
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"updated_at": "2021-11-28T01:36:09.365000Z",
"spacegroup": 71
},
{
"id": "mp-1095849",
"created_at": "2022-09-04T14:46:30.081830Z",
"structure_string": "La1 Y1 Zn2\n1.0\n-5.903820 5.986498 8.378115\n5.903820 -5.986498 8.378115\n5.903820 5.986498 -8.378115\nLa Y Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.752682 0.000000 0.752682 Zn\n0.247318 0.000000 0.247318 Zn\n",
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"volume": 1184.4377982035744,
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"formula_full": "La1 Y1 Zn2",
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"updated_at": "2021-11-28T01:37:35.617000Z",
"spacegroup": 71
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{
"id": "mp-1095902",
"created_at": "2022-09-04T14:40:27.099596Z",
"structure_string": "Y2 Zn1 Ga1\n1.0\n-5.878138 6.002002 8.393690\n5.878138 -6.002002 8.393690\n5.878138 6.002002 -8.393690\nY Zn Ga\n2 1 1\ndirect\n0.000000 0.258700 0.258700 Y\n0.000000 0.741300 0.741300 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"volume": 1184.5375444406188,
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"formula_full": "Y2 Zn1 Ga1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.1271,
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"updated_at": "2021-11-28T01:35:01.302000Z",
"spacegroup": 71
}
]
}