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"results": [
{
"id": "jvasp-118288",
"created_at": "2022-09-04T14:38:50.810558Z",
"updated_at": "2022-09-04T14:38:50.810591Z",
"structure_string": "Zr1 Mn1 F3\n1.0\n3.973195 -0.000000 0.000000\n-0.000000 3.973195 -0.000000\n0.000000 0.000000 3.973195\nZr Mn F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n",
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{
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"structure_string": "Zr1 Mn1 F2\n1.0\n3.864445 0.000000 0.000000\n0.000000 3.864445 0.000000\n0.000000 0.000000 4.059283\nZr Mn F\n1 1 2\ndirect\n0.500001 0.500001 0.752532 Zr\n0.000000 0.000000 0.752453 Mn\n0.000000 0.000000 0.252496 F\n0.500001 0.500001 0.252519 F\n",
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{
"id": "jvasp-118286",
"created_at": "2022-09-04T14:38:51.441113Z",
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"structure_string": "Zr1 Mn1 F1\n1.0\n2.717843 0.000000 -0.000000\n0.000000 2.717843 -0.000000\n0.000000 -0.000000 6.621706\nZr Mn F\n1 1 1\ndirect\n0.000000 0.000000 0.687151 Zr\n0.000000 0.000000 0.299014 Mn\n0.000000 0.000000 0.000557 F\n",
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{
"id": "jvasp-100781",
"created_at": "2022-09-04T14:36:34.872224Z",
"updated_at": "2022-09-04T14:36:34.872242Z",
"structure_string": "Zr1 Mn1 Cu2 Se4\n1.0\n6.103653 -0.201583 2.733085\n4.262977 4.372899 2.733085\n0.158330 0.063709 6.170647\nZr Mn Cu Se\n1 1 2 4\ndirect\n0.493094 0.493095 0.160871 Zr\n0.247020 0.247021 0.762457 Mn\n0.036431 0.036431 0.384705 Cu\n0.705000 0.705001 0.546100 Cu\n0.740653 0.740655 0.896816 Se\n0.250257 0.250258 0.346762 Se\n0.493205 0.493206 0.577734 Se\n0.002265 0.002265 0.022052 Se\n",
"nsites": 8,
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"elements": [
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"density": 5.833070785277296,
"density_atomic": 0.04770385800674382,
"volume": 167.70132090509435,
"volume_molar": 12.62401200160511,
"formula_full": "Zr1 Mn1 Cu2 Se4",
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{
"id": "jvasp-67199",
"created_at": "2022-09-04T14:35:51.775525Z",
"updated_at": "2022-09-04T14:35:51.775552Z",
"structure_string": "Zr1 Mn1 Be1\n1.0\n1.525809 -2.642778 0.000000\n1.525809 2.642778 -0.000000\n0.000000 0.000000 5.737346\nZr Mn Be\n1 1 1\ndirect\n0.666667 0.333333 0.318601 Zr\n0.333333 0.666667 0.712129 Mn\n0.000000 -0.000000 0.969272 Be\n",
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"spacegroup": 156
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{
"id": "jvasp-122142",
"created_at": "2022-09-04T14:38:55.618334Z",
"updated_at": "2022-09-04T14:38:55.618354Z",
"structure_string": "Zr1 Mn6 Ga2 Sn4\n1.0\n5.282042 -0.000000 0.000000\n-2.641021 4.574383 0.000000\n-0.000000 -0.000000 8.967924\nZr Mn Ga Sn\n1 6 2 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.748550 Mn\n0.500000 0.000000 0.748550 Mn\n-0.000000 0.500000 0.748550 Mn\n0.500000 0.500000 0.251449 Mn\n0.500000 0.000000 0.251449 Mn\n-0.000000 0.500000 0.251449 Mn\n0.000000 0.000000 0.804377 Ga\n0.000000 0.000000 0.195623 Ga\n0.666666 0.333333 -0.000000 Sn\n0.333333 0.666666 -0.000000 Sn\n0.666666 0.333333 0.500000 Sn\n0.333333 0.666666 0.500000 Sn\n",
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"formula_full": "Zr1 Mn6 Ga2 Sn4",
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"spacegroup": 191
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{
"id": "jvasp-108898",
"created_at": "2022-09-04T14:38:19.809961Z",
"updated_at": "2022-09-04T14:38:19.809994Z",
"structure_string": "Zr2 Mn6\n1.0\n5.518982 0.000000 0.000000\n-2.759491 4.779578 0.000000\n-0.000000 -0.000000 4.355475\nZr Mn\n2 6\ndirect\n0.333333 0.666667 0.749999 Zr\n0.666667 0.333333 0.250000 Zr\n0.147826 0.295654 0.250000 Mn\n0.704346 0.852174 0.250000 Mn\n0.147827 0.852174 0.250000 Mn\n0.852174 0.704346 0.749999 Mn\n0.295654 0.147826 0.749999 Mn\n0.852173 0.147826 0.749999 Mn\n",
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"volume": 114.89048329784164,
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"formula_full": "Zr2 Mn6",
"formula_reduced": "ZrMn3",
"formula_anonymous": "AB3",
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"spacegroup": 194
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{
"id": "jvasp-75597",
"created_at": "2022-09-04T14:36:03.625354Z",
"updated_at": "2022-09-04T14:36:03.625375Z",
"structure_string": "Zr1 Mn2 As1\n1.0\n-0.000000 3.158167 3.158167\n3.158167 0.000000 3.158167\n3.158167 3.158167 0.000000\nZr Mn As\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Zr\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500001 0.500001 0.500001 As\n",
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"formula_full": "Zr1 Mn2 As1",
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"spacegroup": 216
},
{
"id": "jvasp-20397",
"created_at": "2022-09-04T14:37:04.320557Z",
"updated_at": "2022-09-04T14:37:04.320579Z",
"structure_string": "Zr2 Mn4\n1.0\n4.289781 0.000000 2.476706\n1.429927 4.044444 2.476706\n0.000000 0.000000 4.953412\nZr Mn\n2 4\ndirect\n0.375000 0.375000 0.375000 Zr\n0.625001 0.624999 0.625001 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000001 0.500000 0.000000 Mn\n",
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"formula_full": "Zr2 Mn4",
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"spacegroup": 227
},
{
"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",
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{
"id": "jvasp-86330",
"created_at": "2022-09-04T14:36:19.830527Z",
"updated_at": "2022-09-04T14:36:19.830553Z",
"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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{
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"created_at": "2022-09-04T14:37:31.174461Z",
"updated_at": "2022-09-04T14:37:31.174498Z",
"structure_string": "Zr2 Mn4\n1.0\n4.289781 0.000000 2.476706\n1.429927 4.044444 2.476706\n-0.000000 0.000000 4.953412\nZr Mn\n2 4\ndirect\n0.375000 0.375000 0.375000 Zr\n0.625001 0.624999 0.625001 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000001 0.500000 0.000000 Mn\n",
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}