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{
"id": "jvasp-100175",
"created_at": "2022-09-04T14:36:36.206736Z",
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"structure_string": "Fe3 Cu1\n1.0\n3.292454 -0.008989 -2.921297\n-0.671413 3.223281 -2.921297\n0.007330 0.008989 4.401610\nFe Cu\n3 1\ndirect\n0.749999 0.250000 0.499999 Fe\n0.250000 0.750000 0.499999 Fe\n0.500000 0.500000 -0.000001 Fe\n0.000000 0.000000 0.000000 Cu\n",
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{
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"structure_string": "Li1 Be1 Fe4\n1.0\n0.000000 3.275535 3.275535\n3.275535 -0.000000 3.275535\n3.275535 3.275535 0.000000\nLi Be Fe\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Be\n0.124617 0.625126 0.625126 Fe\n0.625126 0.625126 0.625126 Fe\n0.625126 0.124617 0.625126 Fe\n0.625126 0.625126 0.124617 Fe\n",
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{
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"structure_string": "Mn1 Be1 Tc1\n1.0\n1.314081 -2.276054 0.000000\n1.314081 2.276054 -0.000000\n0.000000 -0.000000 5.874926\nMn Be Tc\n1 1 1\ndirect\n0.333333 0.666666 0.674854 Mn\n0.000000 0.000000 0.988515 Be\n0.666666 0.333333 0.336632 Tc\n",
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{
"id": "jvasp-12817",
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"updated_at": "2022-09-04T14:38:29.526580Z",
"structure_string": "Al4 Cu2 O7\n1.0\n5.191044 0.000000 2.997050\n1.730348 4.894163 2.997050\n0.000000 0.000000 5.994101\nAl Cu O\n4 2 7\ndirect\n0.620112 0.139660 0.620113 Al\n0.139661 0.620112 0.620113 Al\n0.620113 0.620112 0.139661 Al\n0.620113 0.620112 0.620113 Al\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.750000 O\n0.740205 0.259795 0.740205 O\n0.259795 0.740205 0.259795 O\n0.259795 0.740205 0.740205 O\n0.740205 0.740205 0.259795 O\n0.259795 0.259795 0.740205 O\n0.740205 0.259795 0.259795 O\n",
"nsites": 13,
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"volume": 152.28502395153805,
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"formula_full": "Al4 Cu2 O7",
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"spacegroup": 216
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{
"id": "jvasp-118722",
"created_at": "2022-09-04T14:38:53.546491Z",
"updated_at": "2022-09-04T14:38:53.546528Z",
"structure_string": "Mg1 Ta1 O2\n1.0\n2.951776 -0.000000 0.000000\n0.000000 2.951776 0.000000\n-0.000000 0.000000 5.377786\nMg Ta O\n1 1 2\ndirect\n0.500000 0.500000 0.496315 Mg\n0.000000 0.000000 0.009103 Ta\n0.000000 0.000000 0.398217 O\n0.500000 0.500000 0.106366 O\n",
"nsites": 4,
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},
{
"id": "jvasp-42676",
"created_at": "2022-09-04T14:36:12.784293Z",
"updated_at": "2022-09-04T14:36:12.784319Z",
"structure_string": "Li2 Cu2 Sb2 O8\n1.0\n6.104366 -0.000000 -0.000000\n3.052182 5.465155 0.327464\n3.052182 2.130454 5.043442\nLi Cu Sb O\n2 2 2 8\ndirect\n0.094680 0.155321 0.155321 Li\n0.905322 0.844678 0.844678 Li\n0.500000 -0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.499999 0.499999 Sb\n0.500001 0.499999 0.499999 Sb\n0.244275 0.284344 0.284344 O\n0.235414 0.280946 0.748226 O\n0.235414 0.748226 0.280947 O\n0.687038 0.284344 0.284344 O\n0.312963 0.715655 0.715655 O\n0.764587 0.719052 0.251773 O\n0.764587 0.251773 0.719052 O\n0.755726 0.715655 0.715655 O\n",
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],
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"formula_full": "Li2 Cu2 Sb2 O8",
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"formula_anonymous": "ABCD4",
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{
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"created_at": "2022-09-04T14:37:56.702247Z",
"updated_at": "2022-09-04T14:37:56.702266Z",
"structure_string": "W3 O8\n1.0\n3.818527 0.000000 0.000000\n0.000000 5.482356 -2.750718\n0.000000 0.042745 6.133583\nW O\n3 8\ndirect\n0.000000 0.684648 0.315352 W\n0.000000 0.315352 0.684647 W\n0.000000 0.000000 0.000000 W\n0.000001 0.960479 0.663545 O\n0.000001 0.039520 0.336454 O\n0.000000 0.663546 0.960478 O\n0.000000 0.500000 0.500000 O\n0.499999 0.000000 0.000000 O\n0.000000 0.336455 0.039521 O\n0.499999 0.690478 0.309523 O\n0.499999 0.309523 0.690477 O\n",
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"elements": [
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"density": 8.756993121568385,
"density_atomic": 0.08536884789880653,
"volume": 128.85262330164096,
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"formula_full": "W3 O8",
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"spacegroup": 65
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{
"id": "jvasp-67955",
"created_at": "2022-09-04T14:36:16.172041Z",
"updated_at": "2022-09-04T14:36:16.172058Z",
"structure_string": "Mn2 Be1 Ge1\n1.0\n-1.744055 1.744055 3.851033\n1.744055 -1.744055 3.851033\n1.744055 1.744055 -3.851033\nMn Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.749998 0.499999 Mn\n0.500000 0.500000 0.000000 Be\n0.749998 0.250000 0.499999 Ge\n",
"nsites": 4,
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],
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"spacegroup": 119
},
{
"id": "jvasp-16917",
"created_at": "2022-09-04T14:36:53.597199Z",
"updated_at": "2022-09-04T14:36:53.597223Z",
"structure_string": "Cr2 O6\n1.0\n1.640699 -2.841774 -0.000000\n1.640699 2.841774 -0.000000\n-0.000000 0.000000 10.049226\nCr O\n2 6\ndirect\n0.666667 0.333334 0.750000 Cr\n0.333334 0.666667 0.250000 Cr\n0.333334 0.666667 0.416583 O\n0.666667 0.333334 0.916583 O\n0.666667 0.333334 0.583417 O\n0.333334 0.666667 0.083417 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
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"formula_full": "Cr2 O6",
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},
{
"id": "jvasp-42699",
"created_at": "2022-09-04T14:37:10.519945Z",
"updated_at": "2022-09-04T14:37:10.519971Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n5.767814 -0.033580 0.012255\n0.776278 7.008988 0.015021\n2.821168 1.425049 6.378844\nLi V P O\n2 2 4 14\ndirect\n0.909813 0.349196 0.175245 Li\n0.090187 0.650804 0.824754 Li\n0.708310 0.193478 0.892368 V\n0.291690 0.806523 0.107632 V\n0.226377 0.189212 0.763325 P\n0.339010 0.352545 0.313007 P\n0.660990 0.647455 0.686993 P\n0.773623 0.810788 0.236675 P\n0.598841 0.741255 0.477707 O\n0.889531 0.737039 0.673903 O\n0.925673 0.643887 0.140051 O\n0.408334 0.691694 0.859830 O\n0.326930 0.574709 0.302242 O\n0.673070 0.425291 0.697758 O\n0.401159 0.258745 0.522293 O\n0.074327 0.356113 0.859949 O\n0.110469 0.262962 0.326097 O\n0.590375 0.916260 0.132542 O\n0.409625 0.083740 0.867458 O\n0.973469 0.953480 0.215310 O\n0.591666 0.308307 0.140170 O\n0.026531 0.046521 0.784690 O\n",
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"formula_full": "Li2 V2 P4 O14",
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{
"id": "jvasp-57519",
"created_at": "2022-09-04T14:37:29.275519Z",
"updated_at": "2022-09-04T14:37:29.275529Z",
"structure_string": "Li4 Al4 Si4 O16\n1.0\n4.953094 0.000000 0.000000\n0.000000 6.582106 0.000000\n0.000000 0.000000 10.059460\nLi Al Si O\n4 4 4 16\ndirect\n0.255991 0.988741 0.350979 Li\n0.755991 0.488741 0.149021 Li\n0.755991 0.011260 0.649021 Li\n0.255991 0.511260 0.850979 Li\n0.751718 0.510799 0.672681 Al\n0.251719 0.010799 0.827319 Al\n0.251719 0.489202 0.327319 Al\n0.751718 0.989202 0.172681 Al\n0.750801 0.726936 0.408780 Si\n0.750801 0.773065 0.908780 Si\n0.250802 0.226936 0.091220 Si\n0.250802 0.273064 0.591220 Si\n0.313116 0.226772 0.931167 O\n0.358325 0.061840 0.661339 O\n0.858325 0.938160 0.338661 O\n0.358325 0.438160 0.161339 O\n0.313116 0.273228 0.431167 O\n0.858325 0.561841 0.838661 O\n0.400324 0.461919 0.668712 O\n0.900323 0.961919 0.831288 O\n0.813116 0.726772 0.568833 O\n0.900323 0.538081 0.331288 O\n0.424122 0.710704 0.380177 O\n0.924122 0.289297 0.619823 O\n0.924122 0.210704 0.119823 O\n0.400324 0.038081 0.168712 O\n0.424122 0.789297 0.880177 O\n0.813116 0.773229 0.068833 O\n",
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],
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"formula_full": "Li4 Al4 Si4 O16",
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{
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"created_at": "2022-09-04T14:37:06.514169Z",
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"structure_string": "Mg1 Mn1 F6\n1.0\n4.409750 0.056331 2.883859\n1.588610 4.114048 2.883859\n0.081023 0.056331 5.268393\nMg Mn F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.365014 0.109406 0.764411 F\n0.109406 0.764412 0.365014 F\n0.235588 0.634987 0.890594 F\n0.890593 0.235588 0.634987 F\n0.634986 0.890594 0.235589 F\n0.764411 0.365014 0.109407 F\n",
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}
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}