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{
"id": "jvasp-111929",
"created_at": "2022-09-04T14:38:52.201596Z",
"updated_at": "2022-09-04T14:38:52.201623Z",
"structure_string": "Li4 Co3 Cu1 O8\n1.0\n4.956264 -0.015694 2.974455\n1.676305 4.664204 2.974455\n-0.022392 -0.015694 5.780263\nLi Co Cu O\n4 3 1 8\ndirect\n0.000000 0.000000 0.499999 Li\n0.000001 0.500000 -0.000001 Li\n0.499999 0.000000 -0.000000 Li\n0.500000 0.500000 0.499999 Li\n0.000001 0.500000 0.499999 Co\n0.500000 0.000001 0.499999 Co\n0.500000 0.500000 -0.000001 Co\n0.000000 0.000000 0.000000 Cu\n0.753254 0.753254 0.267194 O\n0.753253 0.267196 0.753252 O\n0.267196 0.753254 0.753252 O\n0.258331 0.258331 0.258330 O\n0.741669 0.741670 0.741667 O\n0.732804 0.246747 0.246745 O\n0.246747 0.732804 0.246745 O\n0.246746 0.246747 0.732803 O\n",
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"structure_string": "Mg2 Mn4 S8\n1.0\n7.023806 0.002119 0.002678\n3.510642 6.200919 -0.000032\n3.508587 1.879520 5.909955\nMg Mn S\n2 4 8\ndirect\n0.000001 -0.000004 0.999998 Mg\n-0.000008 0.500003 0.500015 Mg\n-0.000002 -0.000002 0.500007 Mn\n0.499991 0.000010 0.000010 Mn\n0.499998 0.999996 0.500009 Mn\n0.500003 0.499998 0.499993 Mn\n0.746312 0.225079 0.282211 S\n0.758702 0.238552 0.738483 S\n0.746398 0.782215 0.725086 S\n0.735747 0.761518 0.261457 S\n0.253593 0.217788 0.274938 S\n0.241290 0.761451 0.261525 S\n0.264250 0.238480 0.738554 S\n0.253692 0.774909 0.717795 S\n",
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{
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"created_at": "2022-09-04T14:36:15.046792Z",
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"structure_string": "Ta4 Ni12\n1.0\n4.461310 0.000000 -0.849603\n0.000000 5.125369 0.000000\n0.003372 0.000000 8.661739\nTa Ni\n4 12\ndirect\n0.386739 0.750000 0.622115 Ta\n0.613261 0.250000 0.377886 Ta\n0.209640 0.750000 0.127247 Ta\n0.790360 0.250000 0.872754 Ta\n0.294913 0.998659 0.876829 Ni\n0.885168 0.998273 0.626607 Ni\n0.798499 0.750000 0.873370 Ni\n0.114831 0.498273 0.373394 Ni\n0.630813 0.750000 0.375641 Ni\n0.294913 0.501342 0.876829 Ni\n0.369187 0.250000 0.624359 Ni\n0.705087 0.001341 0.123171 Ni\n0.705087 0.498659 0.123171 Ni\n0.114831 0.001727 0.373394 Ni\n0.201500 0.250000 0.126630 Ni\n0.885168 0.501727 0.626607 Ni\n",
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"elements": [
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{
"id": "jvasp-86861",
"created_at": "2022-09-04T14:35:51.160344Z",
"updated_at": "2022-09-04T14:35:51.160379Z",
"structure_string": "Ta4 Ni12\n1.0\n4.461309 0.000000 -0.849603\n0.000000 5.125369 0.000000\n0.003372 0.000000 8.661739\nTa Ni\n4 12\ndirect\n0.386739 0.750000 0.622115 Ta\n0.613261 0.250000 0.377886 Ta\n0.209640 0.750000 0.127247 Ta\n0.790360 0.250000 0.872754 Ta\n0.294913 0.998659 0.876829 Ni\n0.885168 0.998273 0.626607 Ni\n0.798499 0.750000 0.873370 Ni\n0.114831 0.498273 0.373394 Ni\n0.630813 0.750000 0.375641 Ni\n0.294913 0.501342 0.876829 Ni\n0.369187 0.250000 0.624359 Ni\n0.705087 0.001341 0.123171 Ni\n0.705087 0.498659 0.123171 Ni\n0.114831 0.001727 0.373394 Ni\n0.201500 0.250000 0.126630 Ni\n0.885168 0.501727 0.626607 Ni\n",
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{
"id": "jvasp-12782",
"created_at": "2022-09-04T14:38:33.370790Z",
"updated_at": "2022-09-04T14:38:33.370815Z",
"structure_string": "Be4 Te1 O7\n1.0\n4.685773 0.000000 2.705332\n1.561924 4.417789 2.705332\n0.000000 0.000000 5.410666\nBe Te O\n4 1 7\ndirect\n0.627089 0.627090 0.627090 Be\n0.627089 0.118730 0.627090 Be\n0.627089 0.627090 0.118730 Be\n0.118730 0.627090 0.627090 Be\n0.000000 0.000000 0.000000 Te\n0.749999 0.750000 0.750000 O\n0.745808 0.254192 0.254192 O\n0.254191 0.254192 0.745809 O\n0.745807 0.745808 0.254192 O\n0.254191 0.745808 0.745809 O\n0.254191 0.745808 0.254192 O\n0.745808 0.254192 0.745809 O\n",
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{
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"structure_string": "Mg2 H6 Ru1\n1.0\n3.311097 3.311097 0.000000\n-0.000000 3.311097 3.311097\n3.311097 0.000000 3.311097\nMg H Ru\n2 6 1\ndirect\n0.750001 0.750001 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n0.254383 0.745618 0.745618 H\n0.254383 0.254383 0.745618 H\n0.254383 0.745618 0.254383 H\n0.745618 0.254383 0.254383 H\n0.745618 0.745618 0.254383 H\n0.745618 0.254383 0.745618 H\n0.000000 0.000000 0.000000 Ru\n",
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{
"id": "jvasp-36655",
"created_at": "2022-09-04T14:37:29.361703Z",
"updated_at": "2022-09-04T14:37:29.361715Z",
"structure_string": "V2 H2\n1.0\n2.609331 0.000000 0.000000\n-1.304666 2.465949 0.000000\n0.000000 -0.000000 4.964943\nV H\n2 2\ndirect\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.327761 0.655524 0.250000 H\n0.672237 0.344477 0.750000 H\n",
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{
"id": "jvasp-56526",
"created_at": "2022-09-04T14:37:34.212324Z",
"updated_at": "2022-09-04T14:37:34.212344Z",
"structure_string": "Ta1 Ni3\n1.0\n3.328690 0.000290 -1.456472\n-0.636817 3.267207 -1.456472\n0.004251 0.005161 4.542800\nTa Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000001 Ni\n0.749993 0.250007 0.500000 Ni\n0.250006 0.749994 0.500000 Ni\n",
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{
"id": "jvasp-67855",
"created_at": "2022-09-04T14:35:47.961940Z",
"updated_at": "2022-09-04T14:35:47.961960Z",
"structure_string": "Be1 Si2 Ge1\n1.0\n3.182640 -0.000000 -0.000000\n0.000000 3.182640 -0.000000\n-0.000000 -0.000000 6.461678\nBe Si Ge\n1 2 1\ndirect\n0.000000 0.000000 0.458919 Be\n0.000000 0.000000 0.090074 Si\n0.500000 0.500000 0.275497 Si\n0.500000 0.500000 0.675510 Ge\n",
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{
"id": "jvasp-97365",
"created_at": "2022-09-04T14:35:50.947178Z",
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"structure_string": "Ba4 P8 O24\n1.0\n4.525297 0.000000 0.000000\n0.000000 8.341554 0.000000\n0.000000 0.000000 13.408909\nBa P O\n4 8 24\ndirect\n0.738010 0.805324 0.871878 Ba\n0.261991 0.694676 0.371878 Ba\n0.238010 0.194676 0.628122 Ba\n0.761991 0.305324 0.128122 Ba\n0.291857 0.780219 0.644271 P\n0.791858 0.219780 0.855729 P\n0.208143 0.280220 0.355729 P\n0.708143 0.719780 0.144271 P\n0.788220 0.571503 0.595991 P\n0.711781 0.071503 0.404009 P\n0.211781 0.928496 0.095991 P\n0.288219 0.428497 0.904009 P\n0.378628 0.109266 0.365260 O\n0.727174 0.631257 0.047398 O\n0.227174 0.368742 0.452602 O\n0.772827 0.131258 0.952602 O\n0.272827 0.868742 0.547398 O\n0.878629 0.890734 0.134740 O\n0.780577 0.908157 0.365401 O\n0.380916 0.792297 0.164987 O\n0.280576 0.091842 0.134599 O\n0.719425 0.408158 0.634599 O\n0.219424 0.591842 0.865401 O\n0.751684 0.614902 0.488652 O\n0.251684 0.385097 0.011348 O\n0.748317 0.114903 0.511348 O\n0.121372 0.609265 0.634740 O\n0.248317 0.885097 0.988652 O\n0.287083 0.371944 0.263159 O\n0.712918 0.128055 0.763159 O\n0.212917 0.871944 0.736841 O\n0.619084 0.707702 0.664987 O\n0.119084 0.292298 0.835013 O\n0.880917 0.207702 0.335013 O\n0.787084 0.628055 0.236841 O\n0.621372 0.390734 0.865260 O\n",
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{
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"created_at": "2022-09-04T14:36:53.939836Z",
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"structure_string": "Sr2 Hf1 Ti1 O6\n1.0\n4.896655 -0.006996 2.846223\n1.620657 4.620687 2.846223\n-0.004834 -0.003422 5.701954\nSr Hf Ti O\n2 1 1 6\ndirect\n0.750578 0.750577 0.245384 Sr\n0.249424 0.249423 0.754613 Sr\n0.000000 0.000000 0.499999 Hf\n0.500001 0.500000 -0.000001 Ti\n0.285968 0.774981 0.213164 O\n0.225020 0.714034 0.786832 O\n0.714035 0.225019 0.786833 O\n0.774982 0.285967 0.213164 O\n0.256223 0.256222 0.301579 O\n0.743780 0.743778 0.698418 O\n",
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{
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"structure_string": "Co1 Cl2 O6\n1.0\n4.411220 2.415438 -3.432211\n4.411220 -2.415438 -3.432211\n0.806705 0.000000 -7.038264\nCo Cl O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.745887 0.745887 0.159896 Cl\n0.254113 0.254113 0.840104 Cl\n0.209351 0.673259 0.251686 O\n0.673259 0.209351 0.251686 O\n0.790649 0.326740 0.748314 O\n0.326740 0.790649 0.748314 O\n0.627892 0.627892 0.752520 O\n0.372108 0.372108 0.247480 O\n",
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"volume": 136.6101643906328,
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