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{
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"results": [
{
"id": "mp-1097668",
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"structure_string": "Li1 Ag2 Sb1\n1.0\n-5.334480 5.659598 8.004992\n5.334480 -5.659598 8.004992\n5.334480 5.659598 -8.004992\nLi Ag Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.247229 0.247229 Ag\n0.000000 0.752771 0.752771 Ag\n0.000000 0.500000 0.500000 Sb\n",
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{
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"updated_at": "2021-11-28T01:35:41.575000Z",
"spacegroup": 123
},
{
"id": "mp-1186028",
"created_at": "2022-09-04T14:47:28.851968Z",
"structure_string": "Na3 Ga1\n1.0\n4.831935 0.000000 0.000000\n0.000000 4.831935 0.000000\n0.000000 0.000000 4.831935\nNa Ga\n3 1\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"density": 2.04144752990081,
"density_atomic": 0.03545657167273651,
"volume": 112.81406552556531,
"volume_molar": 16.984554557570444,
"formula_full": "Na3 Ga1",
"formula_reduced": "Na3Ga",
"formula_anonymous": "AB3",
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"band_gap": 0.0,
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"total_magnetization": 0.0383189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.401000Z",
"spacegroup": 221
},
{
"id": "mp-979986",
"created_at": "2022-09-04T14:45:41.149933Z",
"structure_string": "Ba1 Ca1 Yb2\n1.0\n0.000000 4.492261 4.492261\n4.492261 0.000000 4.492261\n4.492261 4.492261 0.000000\nBa Ca Yb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n",
"nsites": 4,
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"elements": [
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"Ca",
"Yb"
],
"chemical_system": "Ba-Ca-Yb",
"density": 4.794335271252021,
"density_atomic": 0.022061500798754536,
"volume": 181.31132766025675,
"volume_molar": 27.29705841381369,
"formula_full": "Ba1 Ca1 Yb2",
"formula_reduced": "BaCaYb2",
"formula_anonymous": "ABC2",
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"is_stable": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:18.334000Z",
"spacegroup": 225
},
{
"id": "mp-1096285",
"created_at": "2022-09-04T14:45:31.334232Z",
"structure_string": "Li2 Cu1 Ag1\n1.0\n-4.990771 5.135618 7.252674\n4.990771 -5.135618 7.252674\n4.990771 5.135618 -7.252674\nLi Cu Ag\n2 1 1\ndirect\n0.000000 0.243824 0.243824 Li\n0.000000 0.756176 0.756176 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Li",
"density": 0.413806308404628,
"density_atomic": 0.005379494749379259,
"volume": 743.5642539592702,
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"formula_full": "Li2 Cu1 Ag1",
"formula_reduced": "Li2CuAg",
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"updated_at": "2021-11-28T01:37:00.623000Z",
"spacegroup": 71
},
{
"id": "mp-1213016",
"created_at": "2022-09-04T14:40:21.465928Z",
"structure_string": "Cu1 I2\n1.0\n3.775947 0.000000 0.000000\n0.000000 3.775947 0.000000\n0.000000 0.000000 9.035083\nCu I\n1 2\ndirect\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.264164 I\n0.500000 0.500000 0.735836 I\n",
"nsites": 3,
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"elements": [
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"I"
],
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"density": 4.090820600601608,
"density_atomic": 0.02328827541418841,
"volume": 128.8201872678063,
"volume_molar": 25.859110015209648,
"formula_full": "Cu1 I2",
"formula_reduced": "CuI2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:34:48.066000Z",
"spacegroup": 123
},
{
"id": "mp-1093788",
"created_at": "2022-09-04T14:44:16.396487Z",
"structure_string": "Mg2 Ag1 Pd1\n1.0\n-5.114712 5.760992 8.147169\n5.114712 -5.760992 8.147169\n5.114712 5.760992 -8.147169\nMg Ag Pd\n2 1 1\ndirect\n0.000000 0.240020 0.240020 Mg\n0.000000 0.759980 0.759980 Mg\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Ag",
"Pd"
],
"chemical_system": "Ag-Mg-Pd",
"density": 0.4546231397899502,
"density_atomic": 0.004165573657810307,
"volume": 960.2518953182207,
"volume_molar": 144.56930196657774,
"formula_full": "Mg2 Ag1 Pd1",
"formula_reduced": "Mg2AgPd",
"formula_anonymous": "ABC2",
"energy": -6.85767646,
"energy_per_atom": -1.714419115,
"energy_above_hull": null,
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"total_magnetization": 8.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.517000Z",
"spacegroup": 71
},
{
"id": "mp-1186045",
"created_at": "2022-09-04T14:39:21.615038Z",
"structure_string": "Na3 Ga1\n1.0\n0.000000 3.825621 3.825621\n3.825621 0.000000 3.825621\n3.825621 3.825621 0.000000\nNa Ga\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ga"
],
"chemical_system": "Ga-Na",
"density": 2.056674902481004,
"density_atomic": 0.03572104598293508,
"volume": 111.97880380968992,
"volume_molar": 16.858802966959423,
"formula_full": "Na3 Ga1",
"formula_reduced": "Na3Ga",
"formula_anonymous": "AB3",
"energy": -6.85781821,
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"updated_at": "2021-11-28T01:34:35.236000Z",
"spacegroup": 225
},
{
"id": "mp-23193",
"created_at": "2022-09-04T14:40:25.843887Z",
"structure_string": "K1 Cl1\n1.0\n0.000000 3.191796 3.191796\n3.191796 0.000000 3.191796\n3.191796 3.191796 0.000000\nK Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
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"elements": [
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"Cl"
],
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"density_atomic": 0.030753505128334285,
"volume": 65.03323740347665,
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"formula_full": "K1 Cl1",
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"formula_anonymous": "AB",
"energy": -7.47540409,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:56.629000Z",
"spacegroup": 225
},
{
"id": "mp-1096655",
"created_at": "2022-09-04T14:39:32.484703Z",
"structure_string": "Zr1 Zn2 Au1\n1.0\n-5.347699 5.589780 7.917960\n5.347699 -5.589780 7.917960\n5.347699 5.589780 -7.917960\nZr Zn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.264185 0.264185 Zn\n0.000000 0.735815 0.735815 Zn\n0.000000 0.500000 0.500000 Au\n",
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"elements": [
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"Zn",
"Au"
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"density": 0.7349148741288638,
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"volume": 946.7492393447733,
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"formula_full": "Zr1 Zn2 Au1",
"formula_reduced": "ZrZn2Au",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "mp-1097580",
"created_at": "2022-09-04T14:47:19.195016Z",
"structure_string": "Li2 Tl1 Sb1\n1.0\n-5.634010 5.897992 8.347853\n5.634010 -5.897992 8.347853\n5.634010 5.897992 -8.347853\nLi Tl Sb\n2 1 1\ndirect\n0.000000 0.241484 0.241484 Li\n0.000000 0.758516 0.758516 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n",
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"volume": 1109.574779701871,
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"formula_full": "Li2 Tl1 Sb1",
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"updated_at": "2021-11-28T01:38:02.272000Z",
"spacegroup": 71
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{
"id": "mp-1018126",
"created_at": "2022-09-04T14:45:15.565489Z",
"structure_string": "Ga1 Bi1\n1.0\n0.000000 3.230000 3.230000\n3.230000 0.000000 3.230000\n3.230000 3.230000 0.000000\nGa Bi\n1 1\ndirect\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Bi\n",
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"formula_full": "Ga1 Bi1",
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"updated_at": "2021-11-28T01:36:58.486000Z",
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}
]
}