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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=76",
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"results": [
{
"id": "mp-1093623",
"created_at": "2022-09-04T14:42:59.274818Z",
"structure_string": "Li1 Hg2 Pt1\n1.0\n-5.228181 5.341654 7.547789\n5.228181 -5.341654 7.547789\n5.228181 5.341654 -7.547789\nLi Hg Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.751962 0.000000 0.751962 Hg\n0.248038 0.000000 0.248038 Hg\n0.500000 0.000000 0.500000 Pt\n",
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"elements": [
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{
"id": "mp-1185876",
"created_at": "2022-09-04T14:46:55.181772Z",
"structure_string": "Mg2 Hg4\n1.0\n1.752089 -7.847085 0.000000\n1.752089 7.847085 0.000000\n0.000000 0.000000 5.046328\nMg Hg\n2 4\ndirect\n0.608468 0.391532 0.250000 Mg\n0.391532 0.608468 0.750000 Mg\n0.272160 0.727840 0.250000 Hg\n0.942913 0.057087 0.250000 Hg\n0.727840 0.272160 0.750000 Hg\n0.057087 0.942913 0.750000 Hg\n",
"nsites": 6,
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"updated_at": "2021-11-28T01:37:44.617000Z",
"spacegroup": 63
},
{
"id": "mp-1093856",
"created_at": "2022-09-04T14:47:44.030623Z",
"structure_string": "Mg1 Ti1 Zn2\n1.0\n-5.525518 5.565561 7.894743\n5.525518 -5.565561 7.894743\n5.525518 5.565561 -7.894743\nMg Ti Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.254311 0.254311 Zn\n0.000000 0.745689 0.745689 Zn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Ti-Zn",
"density": 0.3470913637180988,
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"volume": 971.1357307146895,
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"formula_full": "Mg1 Ti1 Zn2",
"formula_reduced": "MgTiZn2",
"formula_anonymous": "ABC2",
"energy": -5.03329618,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:16.366000Z",
"spacegroup": 71
},
{
"id": "mp-1185019",
"created_at": "2022-09-04T14:40:02.205783Z",
"structure_string": "K1 Yb3\n1.0\n0.000000 4.529827 4.529827\n4.529827 0.000000 4.529827\n4.529827 4.529827 0.000000\nK Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "K-Yb",
"density": 4.986299072535601,
"density_atomic": 0.021517169821658622,
"volume": 185.89805411925988,
"volume_molar": 27.987606222907026,
"formula_full": "K1 Yb3",
"formula_reduced": "KYb3",
"formula_anonymous": "AB3",
"energy": -5.03463258,
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"energy_uncorrected": -5.03463258,
"band_gap": 0.0,
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"total_magnetization": 0.0390308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.435000Z",
"spacegroup": 225
},
{
"id": "mp-1216527",
"created_at": "2022-09-04T14:47:11.947851Z",
"structure_string": "Tl1 In1\n1.0\n5.666554 -1.732604 0.000000\n5.666554 1.732604 0.000000\n5.136793 0.000000 2.953829\nTl In\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"In"
],
"chemical_system": "In-Tl",
"density": 9.138608211841577,
"density_atomic": 0.03448230631969258,
"volume": 58.00076078025602,
"volume_molar": 17.46443728028946,
"formula_full": "Tl1 In1",
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"formula_anonymous": "AB",
"energy": -5.03968572,
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"energy_uncorrected": -5.03968572,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0003752,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.144000Z",
"spacegroup": 166
},
{
"id": "mp-1056900",
"created_at": "2022-09-04T14:41:57.854633Z",
"structure_string": "I1 N1\n1.0\n3.193346 0.000000 0.000000\n0.000000 3.193346 0.000000\n0.000000 0.000000 3.193346\nI N\n1 1\ndirect\n0.500000 0.500000 0.500000 I\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"I",
"N"
],
"chemical_system": "I-N",
"density": 7.185493275588427,
"density_atomic": 0.06141749011179294,
"volume": 32.56401387226298,
"volume_molar": 9.805253762468018,
"formula_full": "I1 N1",
"formula_reduced": "IN",
"formula_anonymous": "AB",
"energy": -5.04230204,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -4.68130204,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0004367,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.677000Z",
"spacegroup": 221
},
{
"id": "mp-1097676",
"created_at": "2022-09-04T14:47:55.581283Z",
"structure_string": "Li2 In1 Ga1\n1.0\n-5.632012 5.699566 7.937797\n5.632012 -5.699566 7.937797\n5.632012 5.699566 -7.937797\nLi In Ga\n2 1 1\ndirect\n0.243624 0.000000 0.243624 Li\n0.756376 0.000000 0.756376 Li\n0.500000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Ga"
],
"chemical_system": "Ga-In-Li",
"density": 0.32327771740660316,
"density_atomic": 0.003924593256763273,
"volume": 1019.2139002192848,
"volume_molar": 153.4462392917282,
"formula_full": "Li2 In1 Ga1",
"formula_reduced": "Li2InGa",
"formula_anonymous": "ABC2",
"energy": -5.043159,
"energy_per_atom": -1.26078975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -5.043159,
"band_gap": 0.0139,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.761000Z",
"spacegroup": 71
},
{
"id": "mp-1096484",
"created_at": "2022-09-04T14:47:18.404151Z",
"structure_string": "Cs1 K2 As1\n1.0\n-7.761391 7.775878 11.179772\n7.761391 -7.775878 11.179772\n7.761391 7.775878 -11.179772\nCs K As\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.201409 0.201409 K\n0.000000 0.798591 0.798591 K\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"K",
"As"
],
"chemical_system": "As-Cs-K",
"density": 0.17598234726537895,
"density_atomic": 0.0014821018609245356,
"volume": 2698.869831729918,
"volume_molar": 406.3243504898771,
"formula_full": "Cs1 K2 As1",
"formula_reduced": "CsK2As",
"formula_anonymous": "ABC2",
"energy": -5.04392557,
"energy_per_atom": -1.2609813925,
"energy_above_hull": null,
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"energy_uncorrected": -5.04392557,
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"updated_at": "2021-11-28T01:37:59.349000Z",
"spacegroup": 71
},
{
"id": "mp-974739",
"created_at": "2022-09-04T14:47:10.850296Z",
"structure_string": "Rb3 Tl1\n1.0\n0.000000 4.912318 4.912318\n4.912318 0.000000 4.912318\n4.912318 4.912318 0.000000\nRb Tl\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Tl"
],
"chemical_system": "Rb-Tl",
"density": 3.2274507032126274,
"density_atomic": 0.01687215576094028,
"volume": 237.07699577194285,
"volume_molar": 35.692775987414116,
"formula_full": "Rb3 Tl1",
"formula_reduced": "Rb3Tl",
"formula_anonymous": "AB3",
"energy": -5.0444306,
"energy_per_atom": -1.26110765,
"energy_above_hull": null,
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"energy_uncorrected": -5.0444306,
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"updated_at": "2021-11-28T01:37:53.253000Z",
"spacegroup": 225
},
{
"id": "mp-1097472",
"created_at": "2022-09-04T14:41:29.615454Z",
"structure_string": "Sc1 Ag1 Hg2\n1.0\n-5.732533 6.093610 8.638878\n5.732533 -6.093610 8.638878\n5.732533 6.093610 -8.638878\nSc Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.257716 0.257716 Hg\n0.000000 0.742284 0.742284 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
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"density": 0.762120308759482,
"density_atomic": 0.0033137629685971192,
"volume": 1207.0869395023142,
"volume_molar": 181.7311864810135,
"formula_full": "Sc1 Ag1 Hg2",
"formula_reduced": "ScAgHg2",
"formula_anonymous": "ABC2",
"energy": -5.05289334,
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"updated_at": "2021-11-28T01:35:20.520000Z",
"spacegroup": 71
},
{
"id": "mp-1185877",
"created_at": "2022-09-04T14:39:48.028062Z",
"structure_string": "Mg2 Hg4\n1.0\n1.644471 6.689089 0.000000\n-1.644471 6.689089 0.000000\n0.000000 2.531245 6.375566\nMg Hg\n2 4\ndirect\n0.139081 0.139081 0.465357 Mg\n0.860919 0.860919 0.534643 Mg\n0.197550 0.197550 0.844764 Hg\n0.802450 0.802450 0.155236 Hg\n0.527933 0.527933 0.210128 Hg\n0.472067 0.472067 0.789872 Hg\n",
"nsites": 6,
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"elements": [
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"density": 10.074451538370871,
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"volume": 140.26261619529393,
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"formula_full": "Mg2 Hg4",
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"updated_at": "2021-11-28T01:34:43.518000Z",
"spacegroup": 12
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{
"id": "mp-1185082",
"created_at": "2022-09-04T14:42:51.047032Z",
"structure_string": "K1 Yb3\n1.0\n-2.847707 2.847707 5.815680\n2.847707 -2.847707 5.815680\n2.847707 2.847707 -5.815680\nK Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
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"density": 4.913625674041559,
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"volume": 188.64751943519713,
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"formula_full": "K1 Yb3",
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"updated_at": "2021-11-28T01:35:52.829000Z",
"spacegroup": 139
}
]
}