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{
"id": "jvasp-116312",
"created_at": "2022-09-04T14:38:30.690893Z",
"updated_at": "2022-09-04T14:38:30.690921Z",
"structure_string": "Li1 Se3\n1.0\n4.374430 0.443122 -0.461998\n-1.452789 -3.749318 0.311620\n0.295267 -0.591882 -5.801613\nLi Se\n1 3\ndirect\n0.274032 0.640678 0.653675 Li\n-0.039035 -0.029243 0.453471 Se\n0.270063 0.477142 0.155133 Se\n0.583190 0.282213 0.859260 Se\n",
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{
"id": "jvasp-86910",
"created_at": "2022-09-04T14:36:21.227753Z",
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"structure_string": "Li8 Si8\n1.0\n5.070572 0.000000 2.202471\n2.535286 7.323142 1.101235\n-0.382274 0.000000 7.818099\nLi Si\n8 8\ndirect\n0.672938 0.154251 0.000882 Li\n0.828072 0.345749 0.499118 Li\n0.326180 0.500882 0.845749 Li\n0.327063 0.845749 0.999118 Li\n0.171930 0.654251 0.500882 Li\n0.327189 0.000882 0.345749 Li\n0.673821 0.499118 0.154251 Li\n0.672812 0.999118 0.654251 Li\n0.328221 0.300170 0.581311 Si\n0.909532 0.918689 0.300170 Si\n0.671780 0.699830 0.418689 Si\n0.209702 0.199830 0.918689 Si\n0.128391 0.581311 0.199830 Si\n0.090469 0.081311 0.699830 Si\n0.871610 0.418689 0.800170 Si\n0.790299 0.800170 0.081311 Si\n",
"nsites": 16,
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},
{
"id": "jvasp-38313",
"created_at": "2022-09-04T14:37:52.244961Z",
"updated_at": "2022-09-04T14:37:52.244985Z",
"structure_string": "Li2 Si6\n1.0\n5.473354 0.001827 0.008046\n-2.735096 4.741014 -0.008632\n0.006723 -0.004445 4.726868\nLi Si\n2 6\ndirect\n0.666468 0.333539 0.250003 Li\n0.333531 0.666462 0.750001 Li\n0.843360 0.156638 0.750128 Si\n0.312842 0.156263 0.749942 Si\n0.843735 0.687161 0.749930 Si\n0.156640 0.843363 0.249875 Si\n0.687156 0.843736 0.250060 Si\n0.156262 0.312838 0.250073 Si\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Li-Si",
"density": 2.4687746983495202,
"density_atomic": 0.0652092820234115,
"volume": 122.68192121986303,
"volume_molar": 9.235097478665576,
"formula_full": "Li2 Si6",
"formula_reduced": "LiSi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.58110895,
"spacegroup": 194
},
{
"id": "jvasp-8663",
"created_at": "2022-09-04T14:37:08.175534Z",
"updated_at": "2022-09-04T14:37:08.175554Z",
"structure_string": "Li4 Si2\n1.0\n4.086257 -0.000000 1.465598\n1.782019 3.679489 1.460802\n-0.071711 -0.036324 6.629215\nLi Si\n4 2\ndirect\n0.643839 0.643920 0.068403 Li\n0.356162 0.356081 0.931596 Li\n0.205446 0.205490 0.383617 Li\n0.794554 0.794511 0.616381 Li\n0.937576 0.937696 0.187153 Si\n0.062425 0.062305 0.812846 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Si"
],
"chemical_system": "Li-Si",
"density": 1.391253127440459,
"density_atomic": 0.05989150296633369,
"volume": 100.18115597086835,
"volume_molar": 10.055083712601395,
"formula_full": "Li4 Si2",
"formula_reduced": "Li2Si",
"formula_anonymous": "AB2",
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"spacegroup": 166
},
{
"id": "jvasp-103702",
"created_at": "2022-09-04T14:36:54.603948Z",
"updated_at": "2022-09-04T14:36:54.603965Z",
"structure_string": "Li2 Si2\n1.0\n3.847426 0.000000 2.221312\n1.282475 3.627388 2.221312\n0.000000 0.000000 4.442625\nLi Si\n2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.250001 0.250000 0.249999 Li\n0.750002 0.750000 0.749997 Si\n0.500001 0.500000 0.499998 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
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"chemical_system": "Li-Si",
"density": 1.8761687258772102,
"density_atomic": 0.0645143086557147,
"volume": 62.00174943121984,
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"formula_full": "Li2 Si2",
"formula_reduced": "LiSi",
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"energy_above_hull": 1.2987142999999997,
"spacegroup": 227
},
{
"id": "jvasp-115215",
"created_at": "2022-09-04T14:38:43.686380Z",
"updated_at": "2022-09-04T14:38:43.686407Z",
"structure_string": "Li1 Si1\n1.0\n2.588428 0.000000 0.000000\n0.000000 2.588428 0.000000\n0.000000 0.000000 4.973160\nLi Si\n1 1\ndirect\n0.000000 0.000000 -0.133253 Li\n0.000000 -0.000000 0.366778 Si\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Li-Si",
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"density_atomic": 0.060024062489436425,
"volume": 33.319970642639824,
"volume_molar": 10.032877666452235,
"formula_full": "Li1 Si1",
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"spacegroup": 123
},
{
"id": "jvasp-86307",
"created_at": "2022-09-04T14:35:56.490414Z",
"updated_at": "2022-09-04T14:35:56.490439Z",
"structure_string": "Li8 Si8\n1.0\n5.066658 0.000000 2.200771\n2.533328 7.328191 1.100386\n-0.386242 0.000000 7.821880\nLi Si\n8 8\ndirect\n0.673389 0.153913 0.000912 Li\n0.828212 0.346087 0.499088 Li\n0.325699 0.500912 0.846087 Li\n0.326612 0.846087 0.999088 Li\n0.171789 0.653913 0.500912 Li\n0.327303 0.000912 0.346087 Li\n0.674303 0.499088 0.153913 Li\n0.672698 0.999088 0.653913 Li\n0.328291 0.300170 0.581474 Si\n0.909765 0.918526 0.300170 Si\n0.671710 0.699830 0.418526 Si\n0.209933 0.199830 0.918526 Si\n0.128460 0.581474 0.199830 Si\n0.090236 0.081474 0.699830 Si\n0.871541 0.418526 0.800170 Si\n0.790068 0.800170 0.081474 Si\n",
"nsites": 16,
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"elements": [
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"density": 1.5685188219576158,
"density_atomic": 0.05393539824876835,
"volume": 296.6511886350143,
"volume_molar": 11.165470091133555,
"formula_full": "Li8 Si8",
"formula_reduced": "LiSi",
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"energy_above_hull": 1.2414792999999995,
"spacegroup": 88
},
{
"id": "jvasp-102524",
"created_at": "2022-09-04T14:36:52.406528Z",
"updated_at": "2022-09-04T14:36:52.406552Z",
"structure_string": "Li1 Si3\n1.0\n3.496964 -0.025153 -3.373746\n-0.648118 3.436471 -3.373746\n0.021006 0.025153 4.859061\nLi Si\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.499999 Si\n0.250000 0.750000 0.499999 Si\n0.499999 0.500000 -0.000001 Si\n",
"nsites": 4,
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"elements": [
"Li",
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"density": 2.5706397764971496,
"density_atomic": 0.06789990770655156,
"volume": 58.91024207701605,
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"formula_full": "Li1 Si3",
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"spacegroup": 139
},
{
"id": "jvasp-99801",
"created_at": "2022-09-04T14:36:12.616307Z",
"updated_at": "2022-09-04T14:36:12.616321Z",
"structure_string": "Li6 Sm2\n1.0\n6.548484 0.000000 -0.000000\n-3.274242 5.671153 0.000000\n0.000000 -0.000000 5.099068\nLi Sm\n6 2\ndirect\n0.700285 0.850142 0.250000 Li\n0.149857 0.299715 0.250000 Li\n0.850142 0.149857 0.750000 Li\n0.149857 0.850142 0.250000 Li\n0.850142 0.700285 0.750000 Li\n0.299715 0.149857 0.750000 Li\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n",
"nsites": 8,
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"elements": [
"Li",
"Sm"
],
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"density": 3.0021804171632773,
"density_atomic": 0.04224614141666096,
"volume": 189.36640677070153,
"volume_molar": 14.254889459857273,
"formula_full": "Li6 Sm2",
"formula_reduced": "Li3Sm",
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"spacegroup": 194
},
{
"id": "jvasp-108882",
"created_at": "2022-09-04T14:38:19.473390Z",
"updated_at": "2022-09-04T14:38:19.473414Z",
"structure_string": "Li1 Sm3\n1.0\n4.919845 -0.000000 0.000000\n0.000000 4.919845 0.000000\n-0.000000 0.000000 4.919845\nLi Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 -0.000000 Sm\n",
"nsites": 4,
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"elements": [
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"volume": 119.08423237860524,
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"formula_full": "Li1 Sm3",
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},
{
"id": "jvasp-122867",
"created_at": "2022-09-04T14:38:52.533389Z",
"updated_at": "2022-09-04T14:38:52.533412Z",
"structure_string": "Li1 Sm3\n1.0\n1.765829 -3.058506 -0.000000\n1.765829 3.058506 0.000000\n-0.000000 -0.000000 11.272943\nLi Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666667 0.242171 Sm\n0.666667 0.333333 0.757829 Sm\n",
"nsites": 4,
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"elements": [
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"formula_full": "Li1 Sm3",
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{
"id": "jvasp-38741",
"created_at": "2022-09-04T14:37:59.270923Z",
"updated_at": "2022-09-04T14:37:59.270947Z",
"structure_string": "Li3 Sm1\n1.0\n0.000000 3.597432 3.597432\n3.597432 0.000000 3.597432\n3.597432 3.597432 0.000000\nLi Sm\n3 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.499999 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Sm\n",
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"elements": [
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"formula_full": "Li3 Sm1",
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