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{
"id": "jvasp-123405",
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"updated_at": "2022-09-04T14:38:54.796394Z",
"structure_string": "Zr1 Kr1\n1.0\n1.588445 -2.751264 -0.000000\n1.588445 2.751264 -0.000000\n0.000000 0.000000 7.644438\nZr Kr\n1 1\ndirect\n0.333332 0.666665 0.750000 Zr\n0.666665 0.333332 0.250000 Kr\n",
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{
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{
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"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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{
"id": "jvasp-100781",
"created_at": "2022-09-04T14:36:34.872224Z",
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"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",
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"density_atomic": 0.04770385800674382,
"volume": 167.70132090509435,
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"formula_full": "Zr1 Mn1 Cu2 Se4",
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{
"id": "jvasp-118286",
"created_at": "2022-09-04T14:38:51.441113Z",
"updated_at": "2022-09-04T14:38:51.441145Z",
"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-118287",
"created_at": "2022-09-04T14:38:49.847463Z",
"updated_at": "2022-09-04T14:38:49.847499Z",
"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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"formula_full": "Zr1 Mn1 F2",
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{
"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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"created_at": "2022-09-04T14:38:49.505005Z",
"updated_at": "2022-09-04T14:38:49.505027Z",
"structure_string": "Zr1 Mn1 F3\n1.0\n3.178638 -3.716973 0.081251\n3.178638 3.716973 0.081251\n-0.074856 0.000000 2.936169\nZr Mn F\n1 1 3\ndirect\n0.911166 0.911166 0.000007 Zr\n0.302343 0.302343 0.499962 Mn\n0.566431 0.566431 -0.000053 F\n0.068669 0.641019 0.500017 F\n0.641019 0.068669 0.500017 F\n",
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"formula_full": "Zr1 Mn1 F3",
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"spacegroup": 38
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{
"id": "jvasp-108690",
"created_at": "2022-09-04T14:38:01.591334Z",
"updated_at": "2022-09-04T14:38:01.591361Z",
"structure_string": "Zr1 Mn1 F6\n1.0\n5.058241 -0.000000 2.920377\n1.686080 4.768955 2.920377\n-0.000000 -0.000000 5.840753\nZr Mn F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.745190 0.254810 0.254810 F\n0.254809 0.745191 0.745190 F\n0.254809 0.745191 0.254810 F\n0.745190 0.254810 0.745190 F\n0.254809 0.254810 0.745190 F\n0.745190 0.745191 0.254810 F\n",
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"formula_full": "Zr1 Mn1 F6",
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{
"id": "jvasp-111307",
"created_at": "2022-09-04T14:38:46.627968Z",
"updated_at": "2022-09-04T14:38:46.627991Z",
"structure_string": "Zr1 Mn1 Rh2\n1.0\n3.882782 -0.000000 2.241725\n1.294261 3.660722 2.241725\n-0.000000 -0.000000 4.483450\nZr Mn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500001 Mn\n0.250000 0.250000 0.250001 Rh\n0.750000 0.750000 0.750002 Rh\n",
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{
"id": "jvasp-79688",
"created_at": "2022-09-04T14:37:14.243131Z",
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"structure_string": "Zr1 Mn1 Rh2\n1.0\n-9.010835 0.000000 -5.202407\n-5.793759 0.019320 -0.369729\n-4.943972 2.422881 -1.841604\nZr Mn Rh\n1 1 2\ndirect\n0.500000 -0.000001 -0.000000 Zr\n0.000000 0.000000 0.000000 Mn\n0.786412 -0.000001 -0.000000 Rh\n0.213589 -0.000000 -0.000000 Rh\n",
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{
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"created_at": "2022-09-04T14:36:03.625354Z",
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"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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