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{
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"results": [
{
"id": "jvasp-36536",
"created_at": "2022-09-04T14:37:16.504245Z",
"updated_at": "2022-09-04T14:37:16.504277Z",
"structure_string": "Zr4 N2\n1.0\n5.425948 -0.000000 0.000000\n0.000000 5.425948 0.000000\n0.000000 0.000000 3.309769\nZr N\n4 2\ndirect\n0.295827 0.295827 0.000000 Zr\n0.704173 0.704173 0.000000 Zr\n0.204173 0.795828 0.500000 Zr\n0.795828 0.204173 0.500000 Zr\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n",
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{
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"created_at": "2022-09-04T14:36:19.830527Z",
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"structure_string": "Zr4 Mn8\n1.0\n4.910101 0.000000 -0.000000\n-2.455051 4.252273 -0.000000\n-0.000000 -0.000000 8.201530\nZr Mn\n4 8\ndirect\n0.333333 0.666666 0.063575 Zr\n0.666667 0.333333 0.563575 Zr\n0.666667 0.333333 0.936425 Zr\n0.333333 0.666666 0.436425 Zr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.169890 0.339779 0.750000 Mn\n0.830110 0.169890 0.250000 Mn\n0.830110 0.660220 0.250000 Mn\n0.169890 0.830109 0.750000 Mn\n0.660221 0.830109 0.750000 Mn\n0.339779 0.169890 0.250000 Mn\n",
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{
"id": "jvasp-85831",
"created_at": "2022-09-04T14:36:02.321659Z",
"updated_at": "2022-09-04T14:36:02.321686Z",
"structure_string": "Zr4 Mn8\n1.0\n4.910101 -0.000000 0.000000\n-2.455051 4.252273 0.000000\n0.000000 0.000000 8.201530\nZr Mn\n4 8\ndirect\n0.333333 0.666666 0.063575 Zr\n0.666667 0.333333 0.563575 Zr\n0.666667 0.333333 0.936425 Zr\n0.333333 0.666666 0.436425 Zr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.169890 0.339779 0.750000 Mn\n0.830110 0.169890 0.250000 Mn\n0.830110 0.660220 0.250000 Mn\n0.169890 0.830109 0.750000 Mn\n0.660221 0.830109 0.750000 Mn\n0.339779 0.169890 0.250000 Mn\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Mn-Zr",
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"volume": 171.24048226606024,
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"formula_full": "Zr4 Mn8",
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"spacegroup": 194
},
{
"id": "jvasp-23747",
"created_at": "2022-09-04T14:37:45.903647Z",
"updated_at": "2022-09-04T14:37:45.903664Z",
"structure_string": "Zr4 Mn4 Si4\n1.0\n4.084634 0.000000 0.000000\n0.000000 6.499664 0.000000\n0.000000 0.000000 6.921241\nZr Mn Si\n4 4 4\ndirect\n0.250000 0.486842 0.696260 Zr\n0.250000 -0.013158 0.803740 Zr\n0.749999 0.013158 0.196260 Zr\n0.749999 0.513157 0.303740 Zr\n0.749999 0.340560 0.938785 Mn\n0.250000 0.159440 0.438785 Mn\n0.749999 0.840559 0.561215 Mn\n0.250000 0.659440 0.061215 Mn\n0.250000 0.293891 0.105224 Si\n0.250000 0.793891 0.394776 Si\n0.749999 0.706108 0.894776 Si\n0.749999 0.206109 0.605224 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Si-Zr",
"density": 6.298653686425236,
"density_atomic": 0.06530602042844383,
"volume": 183.7502870527606,
"volume_molar": 9.221417444351081,
"formula_full": "Zr4 Mn4 Si4",
"formula_reduced": "ZrMnSi",
"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "jvasp-23377",
"created_at": "2022-09-04T14:37:35.882156Z",
"updated_at": "2022-09-04T14:37:35.882169Z",
"structure_string": "Zr4 Mn4 P4\n1.0\n3.808388 -0.000000 0.000000\n0.000000 6.279185 0.000000\n0.000000 0.000000 7.222657\nZr Mn P\n4 4 4\ndirect\n0.250000 0.516363 0.684311 Zr\n0.250000 0.016363 0.815690 Zr\n0.750000 0.983638 0.184310 Zr\n0.750000 0.483638 0.315690 Zr\n0.750000 0.348605 0.938242 Mn\n0.250000 0.151395 0.438242 Mn\n0.750000 0.848606 0.561759 Mn\n0.250000 0.651396 0.061758 Mn\n0.250000 0.285805 0.116359 P\n0.250000 0.785805 0.383642 P\n0.750000 0.714196 0.883642 P\n0.750000 0.214196 0.616359 P\n",
"nsites": 12,
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"elements": [
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"density": 6.811989837967162,
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"volume": 172.71953400623124,
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"formula_full": "Zr4 Mn4 P4",
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{
"id": "jvasp-119115",
"created_at": "2022-09-04T14:38:34.930457Z",
"updated_at": "2022-09-04T14:38:34.930483Z",
"structure_string": "Zr4 Mn4 Ni4\n1.0\n4.982618 0.006124 0.000000\n-2.621228 4.237415 0.000000\n0.000000 -0.000000 7.970523\nZr Mn Ni\n4 4 4\ndirect\n0.334638 0.665360 0.189846 Zr\n0.665056 0.334943 0.310583 Zr\n0.665056 0.334943 0.689416 Zr\n0.334638 0.665360 0.810154 Zr\n0.006544 0.993454 0.241172 Mn\n0.006544 0.993454 0.758828 Mn\n0.824347 0.668849 -0.000000 Mn\n0.331149 0.175651 -0.000000 Mn\n0.824033 0.175966 -0.000000 Ni\n0.168657 0.329704 0.500000 Ni\n0.670295 0.831341 0.500000 Ni\n0.167607 0.832391 0.500000 Ni\n",
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"chemical_system": "Mn-Ni-Zr",
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"density_atomic": 0.07125342890706103,
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"formula_full": "Zr4 Mn4 Ni4",
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"spacegroup": 38
},
{
"id": "jvasp-12287",
"created_at": "2022-09-04T14:36:51.481707Z",
"updated_at": "2022-09-04T14:36:51.481737Z",
"structure_string": "Zr4 Mn4 Ge4\n1.0\n3.754457 0.000000 0.000000\n-0.000000 6.709582 0.000000\n0.000000 0.000000 7.832930\nZr Mn Ge\n4 4 4\ndirect\n0.250000 0.533808 0.680169 Zr\n0.250000 0.033808 0.819831 Zr\n0.750001 0.966191 0.180169 Zr\n0.750001 0.466192 0.319831 Zr\n0.750001 0.866143 0.563608 Mn\n0.250000 0.133857 0.436392 Mn\n0.750001 0.366143 0.936392 Mn\n0.250000 0.633856 0.063608 Mn\n0.750001 0.737061 0.876949 Ge\n0.250000 0.762939 0.376949 Ge\n0.250000 0.262939 0.123051 Ge\n0.750001 0.237061 0.623051 Ge\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ge-Mn-Zr",
"density": 7.365353921702076,
"density_atomic": 0.06081551670922837,
"volume": 197.31806370032987,
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"formula_full": "Zr4 Mn4 Ge4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-86192",
"created_at": "2022-09-04T14:35:49.155422Z",
"updated_at": "2022-09-04T14:35:49.155449Z",
"structure_string": "Zr4 Ir4\n1.0\n3.392747 0.000000 -0.582864\n0.000000 4.358677 -0.000000\n-0.021785 -0.000000 10.038910\nZr Ir\n4 4\ndirect\n0.695086 0.750000 0.390169 Zr\n0.438773 0.750000 0.877543 Zr\n0.304916 0.250000 0.609832 Zr\n0.561229 0.250000 0.122458 Zr\n0.056500 0.750000 0.113000 Ir\n0.831547 0.750000 0.663092 Ir\n0.943502 0.250000 0.887000 Ir\n0.168455 0.250000 0.336909 Ir\n",
"nsites": 8,
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"volume": 148.39893475243505,
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{
"id": "jvasp-86794",
"created_at": "2022-09-04T14:36:00.892471Z",
"updated_at": "2022-09-04T14:36:00.892491Z",
"structure_string": "Zr4 Ir4\n1.0\n3.392922 -0.000000 -0.582894\n0.000000 4.358576 0.000000\n-0.021888 0.000000 10.038834\nZr Ir\n4 4\ndirect\n0.695084 0.750001 0.390168 Zr\n0.438774 0.750001 0.877548 Zr\n0.304915 0.250000 0.609832 Zr\n0.561225 0.250000 0.122452 Zr\n0.056503 0.750001 0.113006 Ir\n0.831549 0.750001 0.663099 Ir\n0.943496 0.250000 0.886994 Ir\n0.168450 0.250000 0.336901 Ir\n",
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{
"id": "jvasp-93855",
"created_at": "2022-09-04T14:36:31.644284Z",
"updated_at": "2022-09-04T14:36:31.644311Z",
"structure_string": "Zr4 Ir2\n1.0\n-3.260140 3.260140 -2.870664\n3.260140 -3.260140 -2.870664\n-3.260140 -3.260140 2.870664\nZr Ir\n4 2\ndirect\n0.831305 0.331305 0.162612 Zr\n0.168694 0.668694 0.837388 Zr\n0.668693 0.831305 0.500000 Zr\n0.331306 0.168694 0.500000 Zr\n0.749999 0.749999 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n",
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"spacegroup": 140
},
{
"id": "jvasp-23481",
"created_at": "2022-09-04T14:37:33.480896Z",
"updated_at": "2022-09-04T14:37:33.480923Z",
"structure_string": "Zr4 In8\n1.0\n4.364946 -0.000000 -0.694081\n-0.110367 4.363550 -0.694081\n0.013295 0.013636 14.155818\nZr In\n4 8\ndirect\n0.701932 0.951934 0.903867 Zr\n0.451933 0.201933 0.403866 Zr\n0.298068 0.048067 0.096134 Zr\n0.548067 0.798068 0.596134 Zr\n0.875570 0.125570 0.251139 In\n0.625569 0.375570 0.751139 In\n0.124429 0.874431 0.748861 In\n0.374430 0.624431 0.248861 In\n0.036786 0.286788 0.573574 In\n0.786787 0.536787 0.073574 In\n0.963213 0.713213 0.426426 In\n0.213212 0.463214 0.926426 In\n",
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{
"id": "jvasp-54357",
"created_at": "2022-09-04T14:37:33.338346Z",
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"structure_string": "Zr4 In5 Co2\n1.0\n0.000000 7.537347 -0.004967\n3.301707 0.000000 0.000000\n0.000000 -0.770083 -9.041508\nZr In Co\n4 5 2\ndirect\n0.798938 0.500001 0.561181 Zr\n0.184077 0.500001 0.839788 Zr\n0.201063 0.500001 0.438819 Zr\n0.815924 0.500001 0.160213 Zr\n0.539195 0.000000 0.333129 In\n0.156024 0.000000 0.140784 In\n0.500000 0.000000 0.000000 In\n0.843976 0.000000 0.859216 In\n0.460806 0.000000 0.666871 In\n0.077480 0.000000 0.633181 Co\n0.922521 0.000000 0.366820 Co\n",
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}