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{
"id": "jvasp-18107",
"created_at": "2022-09-04T14:37:27.146160Z",
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"structure_string": "Sm1 In1 Cu2\n1.0\n4.117317 -0.000000 2.377133\n1.372439 3.881843 2.377133\n-0.000000 -0.000000 4.754268\nSm In Cu\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Sm\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n0.750001 0.749999 0.749999 Cu\n",
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{
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"structure_string": "Sm2 In4 Rh2\n1.0\n4.359102 0.000000 -0.000000\n-2.179552 5.120385 -0.000000\n-0.000000 -0.000000 8.031444\nSm In Rh\n2 4 2\ndirect\n0.931566 0.863132 0.250000 Sm\n0.068434 0.136869 0.750000 Sm\n0.356418 0.712835 0.549668 In\n0.643583 0.287166 0.450332 In\n0.356418 0.712835 0.950331 In\n0.643583 0.287166 0.049668 In\n0.782739 0.565478 0.750000 Rh\n0.217262 0.434523 0.250000 Rh\n",
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{
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"structure_string": "B2 C1 N1\n1.0\n1.287571 -2.230138 -0.000000\n1.287571 2.230138 0.000000\n0.000000 -0.000000 4.434726\nB C N\n2 1 1\ndirect\n0.000000 0.000000 0.829815 B\n0.333332 0.666667 0.357847 B\n0.333332 0.666667 0.996101 C\n0.000000 0.000000 0.487239 N\n",
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{
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"created_at": "2022-09-04T14:37:27.154610Z",
"updated_at": "2022-09-04T14:37:27.154629Z",
"structure_string": "Zr1 Ga1 Ni2\n1.0\n3.737957 -0.000000 2.158110\n1.245986 3.524179 2.158110\n-0.000000 -0.000000 4.316220\nZr Ga Ni\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Ga\n0.750002 0.750000 0.749999 Ni\n0.250001 0.250000 0.250000 Ni\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.128664771719219,
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{
"id": "jvasp-35744",
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"updated_at": "2022-09-04T14:37:27.721227Z",
"structure_string": "Ba2 N1 F1\n1.0\n-2.009232 -3.480092 -0.000000\n-4.018465 0.000000 0.000000\n-2.009232 -1.160030 -6.673126\nBa N F\n2 1 1\ndirect\n0.757303 0.757302 0.728089 Ba\n0.242696 0.242696 0.271911 Ba\n0.500000 0.499999 0.500000 N\n0.000000 0.000000 0.000000 F\n",
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"formula_full": "Ba2 N1 F1",
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{
"id": "jvasp-53119",
"created_at": "2022-09-04T14:37:27.192967Z",
"updated_at": "2022-09-04T14:37:27.193003Z",
"structure_string": "Ba4 N2 F2\n1.0\n-5.720867 -0.000475 -0.001255\n-0.001449 -5.704597 -0.001439\n2.860155 2.851338 5.759789\nBa N F\n4 2 2\ndirect\n0.770983 0.767201 0.533880 Ba\n0.236467 0.233422 0.466007 Ba\n0.487210 0.983456 0.966345 Ba\n0.020559 0.517532 0.034218 Ba\n0.991496 0.997371 -0.000081 N\n0.241665 0.747610 0.500325 N\n0.500290 0.499777 0.000517 F\n0.749909 0.249377 0.499771 F\n",
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{
"id": "jvasp-17937",
"created_at": "2022-09-04T14:37:27.318786Z",
"updated_at": "2022-09-04T14:37:27.318814Z",
"structure_string": "Ba2 In4 Pt2\n1.0\n4.538629 0.000000 0.000000\n-2.269314 5.918769 0.000000\n0.000000 0.000000 8.149405\nBa In Pt\n2 4 2\ndirect\n0.946533 0.893063 0.250000 Ba\n0.053469 0.106937 0.750000 Ba\n0.339300 0.678598 0.555622 In\n0.660702 0.321402 0.444379 In\n0.339300 0.678598 0.944379 In\n0.660702 0.321402 0.055622 In\n0.774876 0.549751 0.750000 Pt\n0.225125 0.450249 0.250000 Pt\n",
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"formula_full": "Ba2 In4 Pt2",
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{
"id": "jvasp-39825",
"created_at": "2022-09-04T14:37:27.334876Z",
"updated_at": "2022-09-04T14:37:27.334888Z",
"structure_string": "Be1 Co2 Si1\n1.0\n0.000000 2.685432 2.685432\n2.685432 0.000000 2.685432\n2.685432 2.685432 -0.000000\nBe Co Si\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Be\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 Si\n",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-57037",
"created_at": "2022-09-04T14:37:27.358335Z",
"updated_at": "2022-09-04T14:37:27.358363Z",
"structure_string": "Ho4 Cu4 S8\n1.0\n3.940021 0.000000 0.000000\n0.000000 6.251361 0.000000\n0.000000 0.000000 13.320604\nHo Cu S\n4 4 8\ndirect\n0.250279 0.251134 0.133578 Ho\n0.750279 0.248866 0.866422 Ho\n0.249720 0.748866 0.633578 Ho\n0.749720 0.751134 0.366422 Ho\n0.749528 0.372189 0.546765 Cu\n0.249528 0.127811 0.453235 Cu\n0.250472 0.872189 0.953235 Cu\n0.750472 0.627811 0.046765 Cu\n0.249696 0.506101 0.459295 S\n0.750271 0.487553 0.206730 S\n0.250271 0.012447 0.793270 S\n0.249729 0.987553 0.293270 S\n0.250304 0.493898 0.959295 S\n0.749696 0.993898 0.540705 S\n0.749729 0.512447 0.706730 S\n0.750304 0.006101 0.040705 S\n",
"nsites": 16,
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"formula_full": "Ho4 Cu4 S8",
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{
"id": "jvasp-39860",
"created_at": "2022-09-04T14:37:27.395139Z",
"updated_at": "2022-09-04T14:37:27.395150Z",
"structure_string": "Li1 Sc2 Tc1\n1.0\n0.000000 3.270362 3.270362\n3.270362 0.000000 3.270362\n3.270362 3.270362 -0.000000\nLi Sc Tc\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Li\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
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],
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{
"id": "jvasp-39799",
"created_at": "2022-09-04T14:37:27.383487Z",
"updated_at": "2022-09-04T14:37:27.383498Z",
"structure_string": "Li2 Zn1 Au1\n1.0\n0.000000 3.077923 3.077923\n3.077923 -0.000000 3.077923\n3.077923 3.077923 0.000000\nLi Zn Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.499999 Li\n0.749999 0.749999 0.749999 Zn\n0.250000 0.250000 0.250000 Au\n",
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{
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"created_at": "2022-09-04T14:37:27.394443Z",
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"structure_string": "Mg4 Mn4 O8\n1.0\n3.039295 0.263822 -0.271285\n-0.741973 7.409896 -1.083654\n-2.260007 -1.618437 7.667699\nMg Mn O\n4 4 8\ndirect\n0.562170 0.948350 0.800625 Mg\n0.429736 0.072867 0.168102 Mg\n0.185514 0.321335 0.923925 Mg\n0.806422 0.699872 0.044808 Mg\n0.680541 0.825301 0.418951 Mn\n-0.061308 0.573736 0.677094 Mn\n0.053262 0.447470 0.291634 Mn\n0.311357 0.195907 0.549772 Mn\n0.675913 0.315305 0.414290 O\n0.421090 0.573468 0.159482 O\n0.570865 0.447736 0.809247 O\n0.316004 0.705902 0.554440 O\n0.044675 0.947118 0.283075 O\n0.188569 0.828393 0.926982 O\n-0.052786 0.074089 0.685653 O\n-0.196642 0.192812 0.041741 O\n",
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}