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"results": [
{
"id": "mp-1097579",
"created_at": "2022-09-04T14:44:57.261563Z",
"structure_string": "Li1 Al1 Ga2\n1.0\n-5.173162 5.225143 7.382742\n5.173162 -5.225143 7.382742\n5.173162 5.225143 -7.382742\nLi Al Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.256517 0.256517 Ga\n0.000000 0.743483 0.743483 Ga\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Ga-Li",
"density": 0.36065125141098026,
"density_atomic": 0.005011042071546034,
"volume": 798.2371616301155,
"volume_molar": 120.17741367998565,
"formula_full": "Li1 Al1 Ga2",
"formula_reduced": "LiAlGa2",
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{
"id": "mp-1096052",
"created_at": "2022-09-04T14:48:20.565974Z",
"structure_string": "Li1 Al2 Ru1\n1.0\n-5.109272 5.142555 7.092815\n5.109272 -5.142555 7.092815\n5.109272 5.142555 -7.092815\nLi Al Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.729359 0.000000 0.729359 Al\n0.270641 0.000000 0.270641 Al\n0.500000 0.000000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Li-Ru",
"density": 0.3608095460178693,
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"volume": 745.4466932362252,
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"formula_full": "Li1 Al2 Ru1",
"formula_reduced": "LiAl2Ru",
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"energy_uncorrected": -10.24213601,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:04.849000Z",
"spacegroup": 71
},
{
"id": "mp-1093819",
"created_at": "2022-09-04T14:43:13.989575Z",
"structure_string": "Li1 Sc1 Cd2\n1.0\n-5.902189 6.108814 8.829955\n5.902189 -6.108814 8.829955\n5.902189 6.108814 -8.829955\nLi Sc Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.237462 0.237462 Cd\n0.000000 0.762538 0.762538 Cd\n",
"nsites": 4,
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"elements": [
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"Sc",
"Cd"
],
"chemical_system": "Cd-Li-Sc",
"density": 0.36082734512179976,
"density_atomic": 0.0031410257396957443,
"volume": 1273.4693477511778,
"volume_molar": 191.72529164257458,
"formula_full": "Li1 Sc1 Cd2",
"formula_reduced": "LiScCd2",
"formula_anonymous": "ABC2",
"energy": -4.68509104,
"energy_per_atom": -1.17127276,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -4.68509104,
"band_gap": 0.0509999999999997,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.501000Z",
"spacegroup": 71
},
{
"id": "mp-1207311",
"created_at": "2022-09-04T14:41:50.612063Z",
"structure_string": "Nd2 Ag1 Sb3\n1.0\n9.261958 0.000000 0.000000\n0.000000 9.261958 0.000000\n0.000000 0.000000 40.837260\nNd Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242751 Nd\n0.500000 0.500000 0.757249 Nd\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.690769 Sb\n0.500000 0.500000 0.309231 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Ag",
"Sb"
],
"chemical_system": "Ag-Nd-Sb",
"density": 0.3610207669319099,
"density_atomic": 0.001712730535682533,
"volume": 3503.1780393924987,
"volume_molar": 351.61052100937417,
"formula_full": "Nd2 Ag1 Sb3",
"formula_reduced": "Nd2AgSb3",
"formula_anonymous": "AB2C3",
"energy": -12.097316,
"energy_per_atom": -2.0162193333333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -11.521316,
"band_gap": 0.0668999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.008000Z",
"spacegroup": 123
},
{
"id": "mp-1095810",
"created_at": "2022-09-04T14:43:12.120054Z",
"structure_string": "Sr2 Mg1 Pb1\n1.0\n-6.883809 6.911254 9.809423\n6.883809 -6.911254 9.809423\n6.883809 6.911254 -9.809423\nSr Mg Pb\n2 1 1\ndirect\n0.000000 0.267935 0.267935 Sr\n0.000000 0.732065 0.732065 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Mg",
"Pb"
],
"chemical_system": "Mg-Pb-Sr",
"density": 0.36181136167932293,
"density_atomic": 0.002142746880087649,
"volume": 1866.7627227329717,
"volume_molar": 281.04769704547016,
"formula_full": "Sr2 Mg1 Pb1",
"formula_reduced": "Sr2MgPb",
"formula_anonymous": "ABC2",
"energy": -3.74767763,
"energy_per_atom": -0.9369194075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.74767763,
"band_gap": 0.0116,
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"is_magnetic": true,
"total_magnetization": 2.1314058,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.562000Z",
"spacegroup": 71
},
{
"id": "mp-1096265",
"created_at": "2022-09-04T14:44:57.884244Z",
"structure_string": "Li1 Sc2 Co1\n1.0\n-4.980656 5.264044 6.805941\n4.980656 -5.264044 6.805941\n4.980656 5.264044 -6.805941\nLi Sc Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.696093 0.000000 0.696093 Sc\n0.303907 0.000000 0.303907 Sc\n0.500000 0.000000 0.500000 Co\n",
"nsites": 4,
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"elements": [
"Li",
"Sc",
"Co"
],
"chemical_system": "Co-Li-Sc",
"density": 0.36242933952965745,
"density_atomic": 0.005604098526853528,
"volume": 713.763325329299,
"volume_molar": 107.4595803614678,
"formula_full": "Li1 Sc2 Co1",
"formula_reduced": "LiSc2Co",
"formula_anonymous": "ABC2",
"energy": -13.13968948,
"energy_per_atom": -3.28492237,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.13968948,
"band_gap": 0.3705,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9129402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.959000Z",
"spacegroup": 71
},
{
"id": "mp-1206475",
"created_at": "2022-09-04T14:44:24.762594Z",
"structure_string": "La2 Ag1 Sb3\n1.0\n9.179092 0.000000 0.000000\n0.000000 9.179092 0.000000\n0.000000 0.000000 40.754130\nLa Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242859 La\n0.500000 0.500000 0.757141 La\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.690858 Sb\n0.500000 0.500000 0.309142 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ag",
"Sb"
],
"chemical_system": "Ag-La-Sb",
"density": 0.363156927497468,
"density_atomic": 0.0017473511031089984,
"volume": 3433.768971401579,
"volume_molar": 344.6440013850121,
"formula_full": "La2 Ag1 Sb3",
"formula_reduced": "La2AgSb3",
"formula_anonymous": "AB2C3",
"energy": -12.98597977,
"energy_per_atom": -2.1643299616666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.40997977,
"band_gap": 0.0995999999999996,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.438000Z",
"spacegroup": 123
},
{
"id": "mp-1093662",
"created_at": "2022-09-04T14:42:46.384672Z",
"structure_string": "Ca1 Mg1 Ag2\n1.0\n-5.738357 6.274529 8.865973\n5.738357 -6.274529 8.865973\n5.738357 6.274529 -8.865973\nCa Mg Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.248258 0.248258 Ag\n0.000000 0.751742 0.751742 Ag\n",
"nsites": 4,
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"elements": [
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"Mg",
"Ag"
],
"chemical_system": "Ag-Ca-Mg",
"density": 0.3642815659469248,
"density_atomic": 0.0031325996945070116,
"volume": 1276.8947168749228,
"volume_molar": 192.2409930180283,
"formula_full": "Ca1 Mg1 Ag2",
"formula_reduced": "CaMgAg2",
"formula_anonymous": "ABC2",
"energy": -5.08681073,
"energy_per_atom": -1.2717026825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -5.08681073,
"band_gap": 0.2608999999999999,
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"is_magnetic": false,
"total_magnetization": 4.66e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.552000Z",
"spacegroup": 71
},
{
"id": "mp-1096577",
"created_at": "2022-09-04T14:43:03.476110Z",
"structure_string": "Li2 Ag1 Ge1\n1.0\n-5.204153 5.482518 7.755558\n5.204153 -5.482518 7.755558\n5.204153 5.482518 -7.755558\nLi Ag Ge\n2 1 1\ndirect\n0.000000 0.251817 0.251817 Li\n0.000000 0.748183 0.748183 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"Ag",
"Ge"
],
"chemical_system": "Ag-Ge-Li",
"density": 0.3646870151141582,
"density_atomic": 0.004519150737271049,
"volume": 885.1220577819129,
"volume_molar": 133.2582405435883,
"formula_full": "Li2 Ag1 Ge1",
"formula_reduced": "Li2AgGe",
"formula_anonymous": "ABC2",
"energy": -6.77895864,
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"is_stable": null,
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"energy_uncorrected": -6.77895864,
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"updated_at": "2021-11-28T01:35:56.191000Z",
"spacegroup": 71
},
{
"id": "mp-1095952",
"created_at": "2022-09-04T14:43:36.685134Z",
"structure_string": "Sc1 Ti1 Zn2\n1.0\n-5.556880 5.682673 8.053050\n5.556880 -5.682673 8.053050\n5.556880 5.682673 -8.053050\nSc Ti Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ti\n0.000000 0.254760 0.254760 Zn\n0.000000 0.745240 0.745240 Zn\n",
"nsites": 4,
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"elements": [
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"Ti",
"Zn"
],
"chemical_system": "Sc-Ti-Zn",
"density": 0.36508692597889536,
"density_atomic": 0.003932383997146997,
"volume": 1017.1946592453991,
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"formula_full": "Sc1 Ti1 Zn2",
"formula_reduced": "ScTiZn2",
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"energy": -7.55258747,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:24.392000Z",
"spacegroup": 71
},
{
"id": "mp-1093830",
"created_at": "2022-09-04T14:44:28.848061Z",
"structure_string": "Sr2 Zn1 Sn1\n1.0\n-6.544605 6.613795 9.434321\n6.544605 -6.613795 9.434321\n6.544605 6.613795 -9.434321\nSr Zn Sn\n2 1 1\ndirect\n0.738682 0.000000 0.738682 Sr\n0.261318 0.000000 0.261318 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"volume": 1633.446104492753,
"volume_molar": 245.92105912822566,
"formula_full": "Sr2 Zn1 Sn1",
"formula_reduced": "Sr2ZnSn",
"formula_anonymous": "ABC2",
"energy": -4.06755324,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:45.340000Z",
"spacegroup": 71
},
{
"id": "mp-1096494",
"created_at": "2022-09-04T14:46:01.702868Z",
"structure_string": "Li1 Sc2 Tl1\n1.0\n-6.137568 6.292675 8.858287\n6.137568 -6.292675 8.858287\n6.137568 6.292675 -8.858287\nLi Sc Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.262198 0.262198 Sc\n0.000000 0.737802 0.737802 Sc\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Li-Sc-Tl",
"density": 0.36552306870908524,
"density_atomic": 0.00292293147624481,
"volume": 1368.489146088001,
"volume_molar": 206.03085665685364,
"formula_full": "Li1 Sc2 Tl1",
"formula_reduced": "LiSc2Tl",
"formula_anonymous": "ABC2",
"energy": -8.6692347,
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"energy_above_hull": null,
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"energy_uncorrected": -8.6692347,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:18.661000Z",
"spacegroup": 71
}
]
}