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{
"id": "mp-866004",
"created_at": "2022-09-04T14:39:28.628355Z",
"structure_string": "Er2 In1 Ag1\n1.0\n0.000000 3.685453 3.685453\n3.685453 0.000000 3.685453\n3.685453 3.685453 0.000000\nEr In Ag\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n",
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{
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{
"id": "mp-1094652",
"created_at": "2022-09-04T14:44:50.769503Z",
"structure_string": "Mg6 Ga2\n1.0\n3.100783 -5.370713 0.000000\n3.100783 5.370713 0.000000\n0.000000 0.000000 4.951982\nMg Ga\n6 2\ndirect\n0.662119 0.831060 0.750000 Mg\n0.168940 0.337881 0.750000 Mg\n0.168940 0.831060 0.750000 Mg\n0.831060 0.662119 0.250000 Mg\n0.831060 0.168940 0.250000 Mg\n0.337881 0.168940 0.250000 Mg\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n",
"nsites": 8,
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"elements": [
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"density": 2.8721159002359498,
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"volume": 164.93482826527477,
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"formula_full": "Mg6 Ga2",
"formula_reduced": "Mg3Ga",
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"updated_at": "2021-11-28T01:36:39.732000Z",
"spacegroup": 194
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{
"id": "mp-863720",
"created_at": "2022-09-04T14:45:12.756654Z",
"structure_string": "Hg1 Pd3\n1.0\n4.059409 0.000000 0.000000\n0.000000 4.059409 0.000000\n0.000000 0.000000 4.059409\nHg Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 12.904426698756309,
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"volume": 66.89419483123613,
"volume_molar": 10.071156432514211,
"formula_full": "Hg1 Pd3",
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"updated_at": "2021-11-28T01:36:56.999000Z",
"spacegroup": 221
},
{
"id": "mp-1185085",
"created_at": "2022-09-04T14:47:59.398158Z",
"structure_string": "La3 Zn1\n1.0\n-2.437615 2.437615 5.088724\n2.437615 -2.437615 5.088724\n2.437615 2.437615 -5.088724\nLa Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"density": 6.619268585939723,
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"formula_full": "La3 Zn1",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.307000Z",
"spacegroup": 139
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{
"id": "mp-1093556",
"created_at": "2022-09-04T14:43:58.942734Z",
"structure_string": "Hf1 Ga1 Pd2\n1.0\n-4.838379 5.618665 7.946805\n4.838379 -5.618665 7.946805\n4.838379 5.618665 -7.946805\nHf Ga Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ga\n0.000000 0.259084 0.259084 Pd\n0.000000 0.740916 0.740916 Pd\n",
"nsites": 4,
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"elements": [
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"Ga",
"Pd"
],
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"density": 0.8859605385278712,
"density_atomic": 0.004628863989748716,
"volume": 864.1429104114043,
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"formula_full": "Hf1 Ga1 Pd2",
"formula_reduced": "HfGaPd2",
"formula_anonymous": "ABC2",
"energy": -16.31139392,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.067000Z",
"spacegroup": 71
},
{
"id": "mp-10598",
"created_at": "2022-09-04T14:41:50.644452Z",
"structure_string": "Cu2 Sn2\n1.0\n2.087713 -3.616025 0.000000\n2.087713 3.616025 0.000000\n0.000000 0.000000 5.096759\nCu Sn\n2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cu-Sn",
"density": 7.865649927546907,
"density_atomic": 0.051979689062572054,
"volume": 76.95313442881285,
"volume_molar": 11.585565186337828,
"formula_full": "Cu2 Sn2",
"formula_reduced": "CuSn",
"formula_anonymous": "AB",
"energy": -16.31080228,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:31.679000Z",
"spacegroup": 194
},
{
"id": "mp-1184975",
"created_at": "2022-09-04T14:40:58.904400Z",
"structure_string": "La3 Zn1\n1.0\n4.963663 0.000000 0.000000\n0.000000 4.963663 0.000000\n0.000000 0.000000 4.963663\nLa Zn\n3 1\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"density": 6.546395722265071,
"density_atomic": 0.03270793507752764,
"volume": 122.2944826849753,
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"formula_full": "La3 Zn1",
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"updated_at": "2021-11-28T01:35:24.857000Z",
"spacegroup": 221
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{
"id": "mp-1208837",
"created_at": "2022-09-04T14:46:00.209297Z",
"structure_string": "Sr1 In2 Cu2\n1.0\n-2.210569 2.210569 5.775914\n2.210569 -2.210569 5.775914\n2.210569 2.210569 -5.775914\nSr In Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.391659 0.391659 0.000000 Cu\n0.608341 0.608341 0.000000 Cu\n",
"nsites": 5,
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"elements": [
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"In",
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"density": 6.535569944803418,
"density_atomic": 0.04428749782606532,
"volume": 112.89867898242966,
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"formula_full": "Sr1 In2 Cu2",
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"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:37:20.017000Z",
"spacegroup": 139
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{
"id": "mp-1018160",
"created_at": "2022-09-04T14:43:01.265472Z",
"structure_string": "Pm1 N1\n1.0\n0.000000 2.557339 2.557339\n2.557339 0.000000 2.557339\n2.557339 2.557339 0.000000\nPm N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 N\n",
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{
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"created_at": "2022-09-04T14:39:39.536830Z",
"structure_string": "Sc1 Ge1 Au1\n1.0\n0.000000 3.146787 3.146787\n3.146787 0.000000 3.146787\n3.146787 3.146787 0.000000\nSc Ge Au\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Ge\n0.500000 0.500000 0.500000 Au\n",
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"spacegroup": 216
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{
"id": "mp-861510",
"created_at": "2022-09-04T14:40:37.054113Z",
"structure_string": "Pr2 Sn1 Hg1\n1.0\n0.000000 3.884032 3.884032\n3.884032 0.000000 3.884032\n3.884032 3.884032 0.000000\nPr Sn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Hg\n",
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"formula_full": "Pr2 Sn1 Hg1",
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"updated_at": "2021-11-28T01:35:03.208000Z",
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]
}