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{
"id": "jvasp-46283",
"created_at": "2022-09-04T14:38:09.964812Z",
"updated_at": "2022-09-04T14:38:09.964847Z",
"structure_string": "Li4 Cr2 O8\n1.0\n5.198384 0.097064 -0.048206\n-2.240153 -4.657676 -0.146366\n-2.482801 -0.199313 -7.355749\nLi Cr O\n4 2 8\ndirect\n0.704345 0.345850 0.193551 Li\n0.279332 0.688307 0.608176 Li\n0.978389 0.121595 0.527674 Li\n0.080947 0.192116 0.972201 Li\n0.322827 0.704523 0.222790 Cr\n0.667990 0.332904 0.745276 Cr\n0.132873 0.847114 0.057658 O\n0.396255 0.476664 0.140515 O\n0.633419 0.963575 0.330573 O\n0.107820 0.519287 0.367198 O\n0.975272 0.343315 0.707656 O\n0.355873 0.084366 0.624601 O\n0.657657 0.651148 0.698008 O\n0.704910 0.238444 0.964431 O\n",
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{
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"structure_string": "Li2 Mn2 Ni2 O8\n1.0\n5.766875 0.000000 0.000000\n2.883437 4.952762 0.039649\n2.883437 1.688303 4.656292\nLi Mn Ni O\n2 2 2 8\ndirect\n0.122077 0.127923 0.127923 Li\n0.877923 0.872076 0.872077 Li\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000001 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.265205 0.263033 0.263033 O\n0.266392 0.256306 0.710910 O\n0.266392 0.710910 0.256306 O\n0.708729 0.263033 0.263033 O\n0.291272 0.736966 0.736967 O\n0.733608 0.743693 0.289090 O\n0.733609 0.289089 0.743693 O\n0.734796 0.736966 0.736967 O\n",
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{
"id": "jvasp-45234",
"created_at": "2022-09-04T14:38:10.075888Z",
"updated_at": "2022-09-04T14:38:10.075914Z",
"structure_string": "Li2 Cr3 Sn1 O8\n1.0\n5.889768 -0.044230 -0.031275\n2.906581 5.122804 -0.031275\n2.906581 1.678115 4.840250\nLi Cr Sn O\n2 3 1 8\ndirect\n0.122261 0.122261 0.122261 Li\n0.497540 0.497540 0.497538 Li\n0.016975 0.497388 0.497388 Cr\n0.497388 0.016976 0.497388 Cr\n0.497389 0.497388 0.016974 Cr\n0.885944 0.885944 0.885941 Sn\n0.261928 0.261928 0.261927 O\n0.246359 0.246360 0.714733 O\n0.246360 0.714734 0.246358 O\n0.714734 0.246360 0.246358 O\n0.292734 0.738620 0.738619 O\n0.738620 0.292734 0.738619 O\n0.738620 0.738620 0.292732 O\n0.743157 0.743157 0.743155 O\n",
"nsites": 14,
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"formula_full": "Li2 Cr3 Sn1 O8",
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"formula_anonymous": "AB2C3D8",
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"spacegroup": 160
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{
"id": "jvasp-44527",
"created_at": "2022-09-04T14:38:10.113543Z",
"updated_at": "2022-09-04T14:38:10.113572Z",
"structure_string": "Li2 Mn3 V1 O8\n1.0\n5.758471 -0.005239 -0.003705\n2.874698 4.989602 -0.003705\n2.874698 1.659708 4.705477\nLi Mn V O\n2 3 1 8\ndirect\n0.122941 0.122941 0.122942 Li\n0.877058 0.877058 0.877061 Li\n-0.000000 0.500000 0.500001 Mn\n0.500000 -0.000000 0.500001 Mn\n0.500000 0.499999 0.000001 Mn\n0.500000 0.499999 0.500001 V\n0.262445 0.262445 0.262446 O\n0.258021 0.258021 0.715996 O\n0.258021 0.715995 0.258022 O\n0.715995 0.258020 0.258022 O\n0.284005 0.741979 0.741981 O\n0.741979 0.284004 0.741981 O\n0.741979 0.741978 0.284006 O\n0.737554 0.737554 0.737557 O\n",
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"formula_full": "Li2 Mn3 V1 O8",
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{
"id": "jvasp-12347",
"created_at": "2022-09-04T14:38:09.989438Z",
"updated_at": "2022-09-04T14:38:09.989465Z",
"structure_string": "Rb1 In5 S8\n1.0\n3.832877 0.000000 -0.777779\n-0.399612 9.118707 -1.969277\n-0.009422 0.034585 9.786624\nRb In S\n1 5 8\ndirect\n0.500001 0.500000 -0.000000 Rb\n0.712086 0.339167 0.424169 In\n0.646579 0.914250 0.293155 In\n0.353423 0.085750 0.706844 In\n0.287916 0.660833 0.575831 In\n0.000000 0.000000 0.000000 In\n0.835770 0.519750 0.671537 S\n0.928055 0.211909 0.856108 S\n0.071946 0.788091 0.143891 S\n0.584138 0.129424 0.168274 S\n0.415864 0.870576 0.831726 S\n0.763957 0.847263 0.527911 S\n0.236045 0.152737 0.472088 S\n0.164232 0.480249 0.328462 S\n",
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],
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{
"id": "jvasp-12713",
"created_at": "2022-09-04T14:38:10.003649Z",
"updated_at": "2022-09-04T14:38:10.003682Z",
"structure_string": "V4 O10\n1.0\n3.563976 0.000000 0.000000\n0.000000 4.287188 0.000000\n0.000000 0.000000 11.738548\nV O\n4 10\ndirect\n0.000000 0.110611 0.147823 V\n0.500001 0.889390 0.352177 V\n0.500001 0.889390 0.647823 V\n0.000000 0.110611 0.852178 V\n0.500001 0.004018 0.181811 O\n0.000000 -0.004018 0.318189 O\n0.000000 -0.004018 0.681811 O\n0.500001 0.004018 0.818189 O\n0.000000 0.486332 0.853878 O\n0.500001 0.513669 0.646123 O\n0.500001 0.513669 0.353877 O\n0.500001 -0.007476 0.500000 O\n0.000000 0.007476 0.000000 O\n0.000000 0.486332 0.146123 O\n",
"nsites": 14,
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"elements": [
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],
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"volume": 179.35838279776658,
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"formula_full": "V4 O10",
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"formula_anonymous": "A2B5",
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"spacegroup": 59
},
{
"id": "jvasp-37377",
"created_at": "2022-09-04T14:38:00.878825Z",
"updated_at": "2022-09-04T14:38:00.878850Z",
"structure_string": "Tm2 Al6 C6\n1.0\n1.706111 -2.955071 -0.000000\n1.706111 2.955071 0.000000\n-0.000000 0.000000 17.227618\nTm Al C\n2 6 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666667 0.132368 Al\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.367632 Al\n0.666667 0.333333 0.632368 Al\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.867632 Al\n0.666667 0.333333 0.091082 C\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.408918 C\n0.333333 0.666667 0.591082 C\n0.666667 0.333333 0.750000 C\n0.333333 0.666667 0.908918 C\n",
"nsites": 14,
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"elements": [
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],
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"volume": 173.71224456642162,
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"formula_full": "Tm2 Al6 C6",
"formula_reduced": "Tm(AlC)3",
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},
{
"id": "jvasp-57725",
"created_at": "2022-09-04T14:38:01.021649Z",
"updated_at": "2022-09-04T14:38:01.021678Z",
"structure_string": "Er2 Fe8 Ge4\n1.0\n7.188604 -0.000000 0.000000\n-0.000000 7.188604 0.000000\n0.000000 0.000000 3.782008\nEr Fe Ge\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.859304 0.416139 0.500000 Fe\n0.916139 0.640695 0.000000 Fe\n0.359305 0.083860 0.000000 Fe\n0.583860 0.140695 0.500000 Fe\n0.416139 0.859304 0.500000 Fe\n0.083860 0.359305 0.000000 Fe\n0.140695 0.583860 0.500000 Fe\n0.640695 0.916139 0.000000 Fe\n0.717817 0.717817 0.500000 Ge\n0.282182 0.282182 0.500000 Ge\n0.782182 0.217817 0.000000 Ge\n0.217817 0.782182 0.000000 Ge\n",
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],
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"formula_full": "Er2 Fe8 Ge4",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-43417",
"created_at": "2022-09-04T14:38:10.064595Z",
"updated_at": "2022-09-04T14:38:10.064620Z",
"structure_string": "Li2 Ti3 Ni1 O8\n1.0\n5.894603 -0.027216 -0.019245\n2.923731 5.118485 -0.019245\n2.923731 1.688016 4.832169\nLi Ti Ni O\n2 3 1 8\ndirect\n0.119505 0.119505 0.119505 Li\n0.499770 0.499770 0.499769 Li\n0.007482 0.498840 0.498840 Ti\n0.498840 0.007482 0.498840 Ti\n0.498841 0.498840 0.007481 Ti\n0.882766 0.882765 0.882764 Ni\n0.258997 0.258997 0.258996 O\n0.251601 0.251602 0.711946 O\n0.251602 0.711946 0.251601 O\n0.711946 0.251601 0.251601 O\n0.281447 0.747440 0.747439 O\n0.747440 0.281447 0.747439 O\n0.747441 0.747440 0.281445 O\n0.742322 0.742321 0.742320 O\n",
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{
"id": "jvasp-44909",
"created_at": "2022-09-04T14:38:10.089117Z",
"updated_at": "2022-09-04T14:38:10.089144Z",
"structure_string": "Li2 V2 Ga2 O8\n1.0\n2.867909 -5.169447 -0.119313\n2.867909 5.169447 0.119313\n2.867909 1.687537 4.887702\nLi V Ga O\n2 2 2 8\ndirect\n0.120279 0.250000 0.129721 Li\n0.879721 0.750001 0.870279 Li\n0.500000 0.000000 0.500000 V\n0.000000 0.500001 0.499999 V\n0.500000 -0.000000 0.000000 Ga\n0.500000 0.500001 0.500000 Ga\n0.288751 0.019217 0.730466 O\n0.249684 0.519217 0.269533 O\n0.257255 0.524591 0.718155 O\n0.257255 0.975411 0.267335 O\n0.742746 0.024591 0.732664 O\n0.742746 0.475410 0.281844 O\n0.750316 0.480784 0.730466 O\n0.711250 0.980784 0.269533 O\n",
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{
"id": "jvasp-44649",
"created_at": "2022-09-04T14:38:10.138295Z",
"updated_at": "2022-09-04T14:38:10.138320Z",
"structure_string": "Li1 Zn1 Fe4 O8\n1.0\n-0.000000 3.979385 3.979385\n3.979385 -0.000000 3.979385\n4.154571 4.154571 -0.175185\nLi Zn Fe O\n1 1 4 8\ndirect\n0.000572 0.000572 0.998284 Li\n0.629459 0.629459 0.111623 Zn\n0.247984 0.247984 0.256047 Fe\n0.621290 0.127229 0.630192 Fe\n0.127229 0.621290 0.630192 Fe\n0.621290 0.621290 0.630192 Fe\n0.852966 0.374257 0.398521 O\n0.374257 0.374257 0.398521 O\n0.374257 0.852966 0.398521 O\n0.377407 0.377407 0.867780 O\n0.879133 0.405749 0.835987 O\n0.859277 0.859277 0.422169 O\n0.405749 0.879133 0.835987 O\n0.879133 0.879133 0.835987 O\n",
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},
{
"id": "jvasp-46157",
"created_at": "2022-09-04T14:38:01.042848Z",
"updated_at": "2022-09-04T14:38:01.042873Z",
"structure_string": "Mg4 Co2 O8\n1.0\n-0.000000 4.191373 4.191373\n4.191373 -0.000000 4.191373\n4.191373 4.191373 -0.000000\nMg Co O\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.125000 0.125000 0.125000 Co\n0.874999 0.874999 0.874999 Co\n0.251806 0.251806 0.251806 O\n0.744580 0.251806 0.251806 O\n0.748193 0.748193 0.255419 O\n0.748193 0.255419 0.748193 O\n0.251806 0.744580 0.251806 O\n0.251806 0.251806 0.744580 O\n0.255419 0.748193 0.748193 O\n0.748193 0.748193 0.748193 O\n",
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}
]
}