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{
"id": "jvasp-86874",
"created_at": "2022-09-04T14:35:47.151371Z",
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"structure_string": "Nb8 C4\n1.0\n3.119526 -0.000000 0.000000\n0.000000 4.992759 -0.000000\n-0.000000 -0.000000 11.034529\nNb C\n8 4\ndirect\n0.000000 0.734362 0.296580 Nb\n0.500001 0.265639 0.703420 Nb\n0.500001 0.751961 0.545448 Nb\n0.000000 0.765639 0.796580 Nb\n0.500001 0.748039 0.045448 Nb\n0.000000 0.248039 0.454552 Nb\n0.000000 0.251961 0.954552 Nb\n0.500001 0.234361 0.203420 Nb\n0.500001 0.990891 0.375361 C\n0.000000 0.009109 0.624639 C\n0.500001 0.509109 0.875361 C\n0.000000 0.490891 0.124639 C\n",
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{
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{
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"updated_at": "2022-09-04T14:35:58.987932Z",
"structure_string": "Ba2 Nb4 O12\n1.0\n3.949363 0.000000 -0.012194\n0.000000 6.192435 0.000000\n0.032256 0.000000 10.541054\nBa Nb O\n2 4 12\ndirect\n0.000001 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500304 0.047306 0.652112 Nb\n0.499696 0.547305 0.847888 Nb\n0.499696 0.952694 0.347888 Nb\n0.500304 0.452694 0.152112 Nb\n0.500015 0.889678 0.807411 O\n0.499985 0.389679 0.692589 O\n0.499954 0.303294 0.959413 O\n0.000056 0.405175 0.152701 O\n0.499954 0.196706 0.459414 O\n0.500015 0.610320 0.307411 O\n0.499985 0.110321 0.192589 O\n0.000057 0.094825 0.652701 O\n0.999944 0.594824 0.847299 O\n0.999944 0.905175 0.347299 O\n0.500046 0.696705 0.040587 O\n0.500046 0.803294 0.540586 O\n",
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"volume": 257.79628294568363,
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"formula_full": "Ba2 Nb4 O12",
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"spacegroup": 55
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{
"id": "jvasp-66706",
"created_at": "2022-09-04T14:35:44.255152Z",
"updated_at": "2022-09-04T14:35:44.255171Z",
"structure_string": "Mg1 Be1 Ir1\n1.0\n1.431154 -2.478831 -0.000000\n1.431154 2.478831 0.000000\n0.000000 0.000000 6.055742\nMg Be Ir\n1 1 1\ndirect\n0.666666 0.333332 0.334247 Mg\n0.000000 0.000000 0.964866 Be\n0.333332 0.666666 0.700887 Ir\n",
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{
"id": "jvasp-35995",
"created_at": "2022-09-04T14:37:28.938894Z",
"updated_at": "2022-09-04T14:37:28.938915Z",
"structure_string": "Li2 Sn1 Ir1\n1.0\n3.059721 3.059721 -0.000000\n3.059721 0.000000 -3.059721\n-0.000000 3.059721 -3.059721\nLi Sn Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Ir\n",
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{
"id": "jvasp-20585",
"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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"volume": 85.94060362852113,
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"formula_full": "Zr2 Mn4",
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{
"id": "jvasp-20397",
"created_at": "2022-09-04T14:37:04.320557Z",
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"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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},
{
"id": "jvasp-74893",
"created_at": "2022-09-04T14:35:52.281834Z",
"updated_at": "2022-09-04T14:35:52.281855Z",
"structure_string": "Be2 Cd1 Ga1\n1.0\n-1.904656 1.904656 3.948351\n1.904656 -1.904656 3.948351\n1.904656 1.904656 -3.948351\nBe Cd Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Cd\n0.750001 0.250000 0.500001 Ga\n",
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{
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"created_at": "2022-09-04T14:36:34.363538Z",
"updated_at": "2022-09-04T14:36:34.363560Z",
"structure_string": "Tc6 Rh2\n1.0\n2.756307 -4.774064 0.000000\n2.756307 4.774064 0.000000\n0.000000 0.000000 4.354267\nTc Rh\n6 2\ndirect\n0.839758 0.160243 0.750000 Tc\n0.320485 0.160243 0.750000 Tc\n0.839758 0.679516 0.750000 Tc\n0.160243 0.839758 0.250000 Tc\n0.679516 0.839758 0.250000 Tc\n0.160243 0.320485 0.250000 Tc\n0.666667 0.333334 0.250000 Rh\n0.333334 0.666667 0.750000 Rh\n",
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{
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"created_at": "2022-09-04T14:38:30.205530Z",
"updated_at": "2022-09-04T14:38:30.205544Z",
"structure_string": "Ca10 Si4 N12\n1.0\n5.703359 0.009557 0.872170\n2.506630 5.123009 0.872170\n0.002734 0.001709 12.757650\nCa Si N\n10 4 12\ndirect\n0.805266 0.325322 0.000825 Ca\n0.381656 0.618344 0.250000 Ca\n0.239240 0.067335 0.783947 Ca\n0.618343 0.381657 0.750000 Ca\n0.674678 0.194734 0.499175 Ca\n0.325321 0.805267 0.500825 Ca\n0.067335 0.239241 0.283946 Ca\n0.194733 0.674679 0.999175 Ca\n0.760759 0.932665 0.216054 Ca\n0.932664 0.760760 0.716054 Ca\n0.647601 0.906325 0.923661 Si\n0.906324 0.647603 0.423661 Si\n0.352398 0.093676 0.076339 Si\n0.093675 0.352398 0.576339 Si\n0.657406 0.791443 0.062380 N\n0.691667 0.610051 0.351916 N\n0.014584 0.100846 0.627553 N\n0.791442 0.657407 0.562380 N\n0.100846 0.014585 0.127553 N\n0.308332 0.389950 0.648084 N\n0.208557 0.342594 0.437620 N\n0.899153 0.985416 0.872447 N\n0.610050 0.691668 0.851916 N\n0.342592 0.208558 0.937620 N\n0.985415 0.899155 0.372447 N\n0.389949 0.308333 0.148084 N\n",
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{
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{
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