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{
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"results": [
{
"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",
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{
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"structure_string": "Na2 Hg1 Au1\n1.0\n-5.919935 5.954589 8.402815\n5.919935 -5.954589 8.402815\n5.919935 5.954589 -8.402815\nNa Hg Au\n2 1 1\ndirect\n0.000000 0.235932 0.235932 Na\n0.000000 0.764068 0.764068 Na\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
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"updated_at": "2021-11-28T01:37:03.142000Z",
"spacegroup": 71
},
{
"id": "mp-978533",
"created_at": "2022-09-04T14:48:08.522592Z",
"structure_string": "Si1 Hg3\n1.0\n-2.158251 2.158251 4.975199\n2.158251 -2.158251 4.975199\n2.158251 2.158251 -4.975199\nSi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Si",
"density": 11.28276841356198,
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"volume": 92.69885064783358,
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"formula_full": "Si1 Hg3",
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"formula_anonymous": "AB3",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.838000Z",
"spacegroup": 139
},
{
"id": "mp-1123",
"created_at": "2022-09-04T14:41:09.238505Z",
"structure_string": "Hg1 S1\n1.0\n0.000000 3.003682 3.003682\n3.003682 0.000000 3.003682\n3.003682 3.003682 0.000000\nHg S\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 S\n",
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"elements": [
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"density": 7.128031926948116,
"density_atomic": 0.03690100072699053,
"volume": 54.19907212806666,
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"formula_full": "Hg1 S1",
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"energy_uncorrected": -4.69514689,
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"updated_at": "2021-11-28T01:35:09.353000Z",
"spacegroup": 216
},
{
"id": "mp-568938",
"created_at": "2022-09-04T14:47:44.180667Z",
"structure_string": "Pr1\n1.0\n-2.190241 2.190241 1.882178\n2.190241 -2.190241 1.882178\n2.190241 2.190241 -1.882178\nPr\n1\ndirect\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 1,
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"elements": [
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"chemical_system": "Pr",
"density": 6.478570310382371,
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"volume": 36.11640321828808,
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"formula_full": "Pr1",
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"formula_anonymous": "A",
"energy": -4.69519808,
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"updated_at": "2021-11-28T01:38:18.762000Z",
"spacegroup": 139
},
{
"id": "mp-1097661",
"created_at": "2022-09-04T14:44:58.974930Z",
"structure_string": "Li1 Y1 Cd2\n1.0\n-5.867786 6.314595 8.886582\n5.867786 -6.314595 8.886582\n5.867786 6.314595 -8.886582\nLi Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.236450 0.236450 Cd\n0.000000 0.763550 0.763550 Cd\n",
"nsites": 4,
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"elements": [
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"Y",
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],
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"density": 0.40428847376284155,
"density_atomic": 0.0030370048072792507,
"volume": 1317.0871479730927,
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"formula_full": "Li1 Y1 Cd2",
"formula_reduced": "LiYCd2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:46.109000Z",
"spacegroup": 71
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{
"id": "mp-1185566",
"created_at": "2022-09-04T14:43:36.950037Z",
"structure_string": "Cs3 Ac1\n1.0\n6.963432 0.000000 0.000000\n0.000000 6.963432 0.000000\n0.000000 0.000000 6.963432\nCs Ac\n3 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 4,
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"elements": [
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"density": 3.0772061226927923,
"density_atomic": 0.011846497702021869,
"volume": 337.65253669169334,
"volume_molar": 50.834777598211055,
"formula_full": "Cs3 Ac1",
"formula_reduced": "Cs3Ac",
"formula_anonymous": "AB3",
"energy": -4.70014259,
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"is_stable": null,
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"energy_uncorrected": -4.70014259,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:22.864000Z",
"spacegroup": 221
},
{
"id": "mp-1097373",
"created_at": "2022-09-04T14:41:15.877396Z",
"structure_string": "Sc1 In1 Hg2\n1.0\n-5.654363 6.186409 8.739424\n5.654363 -6.186409 8.739424\n5.654363 6.186409 -8.739424\nSc In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.248956 0.248956 Hg\n0.000000 0.751044 0.751044 Hg\n",
"nsites": 4,
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"elements": [
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"In",
"Hg"
],
"chemical_system": "Hg-In-Sc",
"density": 0.7617477186750029,
"density_atomic": 0.003271107938760602,
"volume": 1222.827272864487,
"volume_molar": 184.1009490589217,
"formula_full": "Sc1 In1 Hg2",
"formula_reduced": "ScInHg2",
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"energy": -4.7005719,
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"updated_at": "2021-11-28T01:35:25.531000Z",
"spacegroup": 71
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{
"id": "mp-1184855",
"created_at": "2022-09-04T14:41:26.506523Z",
"structure_string": "K3 Ca1\n1.0\n6.324127 0.000000 0.000000\n0.000000 6.324127 0.000000\n0.000000 0.000000 6.324127\nK Ca\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"elements": [
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"density": 1.0331831079007825,
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"volume": 252.9308178538574,
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"formula_full": "K3 Ca1",
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"energy": -4.70253321,
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"energy_uncorrected": -4.70253321,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:19.257000Z",
"spacegroup": 221
},
{
"id": "mp-1095870",
"created_at": "2022-09-04T14:44:23.439965Z",
"structure_string": "Ca2 Hg1 Ge1\n1.0\n-6.068015 6.305159 8.908799\n6.068015 -6.305159 8.908799\n6.068015 6.305159 -8.908799\nCa Hg Ge\n2 1 1\ndirect\n0.000000 0.229776 0.229776 Ca\n0.000000 0.770224 0.770224 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
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"volume": 1363.3954501614148,
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"formula_full": "Ca2 Hg1 Ge1",
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"updated_at": "2021-11-28T01:36:36.619000Z",
"spacegroup": 71
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{
"id": "mp-1184877",
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"structure_string": "K3 Ca1\n1.0\n0.000000 5.034152 5.034152\n5.034152 0.000000 5.034152\n5.034152 5.034152 0.000000\nK Ca\n3 1\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ca\n",
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{
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"updated_at": "2021-11-28T01:34:26.877000Z",
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]
}