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{
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"results": [
{
"id": "jvasp-46711",
"created_at": "2022-09-04T14:38:34.297124Z",
"updated_at": "2022-09-04T14:38:34.297138Z",
"structure_string": "Li2 Mn2 P4 O16\n1.0\n-4.578554 0.000000 0.000000\n-2.289277 4.369061 -0.127696\n0.000000 -1.773871 -13.197176\nLi Mn P O\n2 2 4 16\ndirect\n0.943849 0.000000 0.750000 Li\n0.056150 0.000000 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.685204 0.677262 0.115180 P\n0.637534 0.677262 0.615181 P\n0.362465 0.322738 0.384820 P\n0.314796 0.322738 0.884820 P\n0.220578 0.215804 0.470935 O\n0.038360 0.656239 0.919883 O\n0.305402 0.656239 0.419883 O\n0.563618 0.215804 0.970935 O\n0.478744 0.306627 0.785351 O\n0.746959 0.118063 0.380322 O\n0.253040 0.881937 0.619678 O\n0.961639 0.343761 0.080118 O\n0.436382 0.784196 0.029066 O\n0.694598 0.343761 0.580118 O\n0.214628 0.306627 0.285350 O\n0.779422 0.784196 0.529066 O\n0.785372 0.693373 0.714650 O\n0.865023 0.881937 0.119678 O\n0.521256 0.693373 0.214650 O\n0.134977 0.118064 0.880322 O\n",
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"formula_full": "Li2 Mn2 P4 O16",
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"formula_anonymous": "ABC2D8",
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{
"id": "jvasp-117170",
"created_at": "2022-09-04T14:38:48.797715Z",
"updated_at": "2022-09-04T14:38:48.797724Z",
"structure_string": "Yb1 Mn28\n1.0\n7.038345 -0.000000 -2.488431\n-3.519172 6.095385 -2.488431\n-0.000000 -0.000000 7.465292\nYb Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Yb\n0.623662 0.623663 0.822000 Mn\n0.198337 0.000000 0.376337 Mn\n0.000000 0.198338 0.376338 Mn\n0.801663 0.801663 0.178000 Mn\n0.801662 0.178000 0.801662 Mn\n0.000000 0.376338 0.198338 Mn\n0.198338 0.376338 0.000000 Mn\n0.376337 0.000000 0.198337 Mn\n0.178000 0.801663 0.801663 Mn\n0.376337 0.198338 0.000000 Mn\n0.606493 0.286959 0.606493 Mn\n0.286959 0.606494 0.606494 Mn\n0.822000 0.623663 0.623663 Mn\n0.606493 0.606494 0.286959 Mn\n0.000000 0.680466 0.393507 Mn\n0.319535 0.319535 0.713041 Mn\n0.319535 0.713042 0.319535 Mn\n0.000000 0.393507 0.680465 Mn\n0.680465 0.393507 0.000000 Mn\n0.393506 0.000000 0.680465 Mn\n0.713041 0.319535 0.319535 Mn\n0.393507 0.680466 0.000000 Mn\n0.376585 0.376586 0.376585 Mn\n0.000000 0.000000 0.623414 Mn\n0.000000 0.623415 0.000000 Mn\n0.623414 0.000000 -0.000000 Mn\n0.680465 0.000000 0.393506 Mn\n0.623663 0.822001 0.623663 Mn\n",
"nsites": 29,
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],
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"volume": 320.27164646024465,
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"formula_full": "Yb1 Mn28",
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"formula_anonymous": "AB28",
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"spacegroup": 217
},
{
"id": "jvasp-108701",
"created_at": "2022-09-04T14:38:27.172408Z",
"updated_at": "2022-09-04T14:38:27.172429Z",
"structure_string": "Al1 Fe3 B1\n1.0\n3.808043 -0.000000 0.000000\n0.000000 3.808043 0.000000\n-0.000000 -0.000000 3.808043\nAl Fe B\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 B\n",
"nsites": 5,
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],
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"density": 6.17434321728904,
"density_atomic": 0.09054500000691926,
"volume": 55.22116074457906,
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"formula_full": "Al1 Fe3 B1",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-119546",
"created_at": "2022-09-04T14:38:51.607513Z",
"updated_at": "2022-09-04T14:38:51.607541Z",
"structure_string": "Mn5 Sn1 O12\n1.0\n5.091816 -0.008393 0.241884\n-2.555758 4.403948 0.241884\n0.418015 0.724513 8.953601\nMn Sn O\n5 1 12\ndirect\n0.833063 0.166939 0.499999 Mn\n0.333329 0.666672 -0.000000 Mn\n0.666672 0.333330 -0.000000 Mn\n0.166939 0.833062 0.500000 Mn\n0.500001 0.500000 0.499999 Mn\n0.000000 0.000000 0.000000 Sn\n0.962716 0.605595 0.112946 O\n0.680163 0.680162 0.887066 O\n0.394407 0.037285 0.887053 O\n0.201078 0.534211 0.395751 O\n0.868433 0.868433 0.394286 O\n0.798924 0.465790 0.604248 O\n0.465790 0.798923 0.604248 O\n0.319839 0.319839 0.112933 O\n0.605595 0.962715 0.112946 O\n0.037286 0.394405 0.887053 O\n0.534212 0.201078 0.395751 O\n0.131569 0.131568 0.605713 O\n",
"nsites": 18,
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"formula_full": "Mn5 Sn1 O12",
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"spacegroup": 12
},
{
"id": "jvasp-44431",
"created_at": "2022-09-04T14:38:08.390322Z",
"updated_at": "2022-09-04T14:38:08.390349Z",
"structure_string": "Li2 V2 O4 F4\n1.0\n0.000000 6.173093 0.075799\n3.487795 0.000000 0.000000\n0.000000 -2.343251 -6.184668\nLi V O F\n2 2 4 4\ndirect\n0.339336 0.759817 0.802693 Li\n0.660663 0.259816 0.197308 Li\n0.154448 0.758954 0.236699 V\n0.845551 0.258954 0.763302 V\n0.101207 0.260007 0.152828 O\n0.313097 0.759009 0.492066 O\n0.686903 0.259008 0.507935 O\n0.898793 0.760008 0.847172 O\n0.143030 0.260508 0.741825 F\n0.605542 0.260713 0.885244 F\n0.394458 0.760714 0.114757 F\n0.856969 0.760508 0.258175 F\n",
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],
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"density_atomic": 0.09053911507164354,
"volume": 132.5394001311412,
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"formula_full": "Li2 V2 O4 F4",
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"formula_anonymous": "ABC2D2",
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"spacegroup": 11
},
{
"id": "jvasp-109178",
"created_at": "2022-09-04T14:38:03.055963Z",
"updated_at": "2022-09-04T14:38:03.055990Z",
"structure_string": "Hf1 Ti1 C1 N1\n1.0\n3.018295 -0.000361 4.527981\n1.370559 2.689177 4.527981\n-0.000590 -0.000361 5.441757\nHf Ti C N\n1 1 1 1\ndirect\n0.000319 0.000319 0.000319 Hf\n0.498430 0.498431 0.498429 Ti\n0.754002 0.754003 0.754000 C\n0.247249 0.247249 0.247248 N\n",
"nsites": 4,
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"elements": [
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],
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"formula_full": "Hf1 Ti1 C1 N1",
"formula_reduced": "HfTiCN",
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"spacegroup": 160
},
{
"id": "jvasp-117302",
"created_at": "2022-09-04T14:38:26.339510Z",
"updated_at": "2022-09-04T14:38:26.339535Z",
"structure_string": "Li4 Mn2 P4 O16\n1.0\n4.618818 0.029829 -1.140928\n-0.860385 7.215592 -3.493020\n0.021478 -0.041446 8.626390\nLi Mn P O\n4 2 4 16\ndirect\n0.117073 0.912924 0.684027 Li\n0.363188 0.589265 0.392446 Li\n0.636813 0.410734 0.607554 Li\n0.882930 0.087076 0.315974 Li\n0.274039 0.762647 0.035693 Mn\n0.725963 0.237353 0.964308 Mn\n0.864142 0.682383 0.237226 P\n0.685142 0.800481 0.805649 P\n0.135859 0.317617 0.762774 P\n0.314859 0.199518 0.194351 P\n0.379825 0.336845 0.387939 O\n0.979012 0.261393 0.568862 O\n0.996387 0.183078 0.819988 O\n0.530629 0.702265 0.211170 O\n0.448554 0.015926 0.177446 O\n0.449715 0.285755 0.095704 O\n0.620177 0.663154 0.612060 O\n0.020990 0.738607 0.431139 O\n0.551447 0.984074 0.822553 O\n0.469370 0.297734 0.788829 O\n0.003616 0.816922 0.180011 O\n0.914887 0.479637 0.121522 O\n0.085115 0.520361 0.878477 O\n0.025088 0.840716 0.876835 O\n0.550286 0.714244 0.904296 O\n0.974915 0.159283 0.123165 O\n",
"nsites": 26,
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],
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"density": 2.9924206459301064,
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"formula_full": "Li4 Mn2 P4 O16",
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},
{
"id": "jvasp-85621",
"created_at": "2022-09-04T14:35:58.322429Z",
"updated_at": "2022-09-04T14:35:58.322460Z",
"structure_string": "Mn2 V4 O8\n1.0\n5.216887 -0.002158 3.013780\n1.737564 4.918146 3.012615\n0.000702 -0.000839 6.026257\nMn V O\n2 4 8\ndirect\n0.124984 0.125032 0.124996 Mn\n0.875013 0.874969 0.875002 Mn\n0.499998 0.500000 0.000001 V\n0.500000 -0.000000 0.500000 V\n0.500001 0.500002 0.500001 V\n0.000001 0.500000 0.499999 V\n0.716597 0.261340 0.260953 O\n0.738889 0.739033 0.738674 O\n0.261110 0.260965 0.261325 O\n0.260955 0.261127 0.716591 O\n0.738679 0.283380 0.738892 O\n0.283401 0.738661 0.739050 O\n0.739047 0.738874 0.283406 O\n0.261321 0.716620 0.261110 O\n",
"nsites": 14,
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],
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"volume": 154.63913751509628,
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"formula_full": "Mn2 V4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-116521",
"created_at": "2022-09-04T14:38:49.725392Z",
"updated_at": "2022-09-04T14:38:49.725419Z",
"structure_string": "Cu6 O2 F10\n1.0\n5.213719 0.033469 1.396092\n1.271643 5.377433 1.184651\n0.021372 0.085139 7.121763\nCu O F\n6 2 10\ndirect\n0.311596 0.304964 0.161547 Cu\n0.000000 0.000000 0.000000 Cu\n0.339664 0.345843 0.672518 Cu\n-0.000000 0.000000 0.500000 Cu\n0.660335 0.654157 0.327481 Cu\n0.688403 0.695036 0.838452 Cu\n0.090531 0.085821 0.211294 O\n0.909468 0.914179 0.788706 O\n0.982831 0.401844 0.833868 F\n0.692677 0.289579 0.509910 F\n0.229096 0.227054 0.489346 F\n0.628965 0.030968 0.145367 F\n0.461482 0.470147 0.848582 F\n0.017168 0.598156 0.166131 F\n0.538518 0.529853 0.151417 F\n0.307322 0.710421 0.490090 F\n0.371035 0.969032 0.854632 F\n0.770903 0.772946 0.510654 F\n",
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"volume": 198.8313583297338,
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{
"id": "jvasp-91329",
"created_at": "2022-09-04T14:35:55.286256Z",
"updated_at": "2022-09-04T14:35:55.286282Z",
"structure_string": "Li4 Cr4 Ge8 O24\n1.0\n5.235513 0.000000 -1.222929\n0.000000 8.760474 0.000000\n0.011868 0.000000 9.630994\nLi Cr Ge O\n4 4 8 24\ndirect\n0.541420 0.489229 0.257938 Li\n0.958580 0.989229 0.742061 Li\n0.458580 0.510770 0.742061 Li\n0.041420 0.010771 0.257939 Li\n0.455744 0.159537 0.748543 Cr\n0.544256 0.840463 0.251456 Cr\n0.955743 0.340463 0.748543 Cr\n0.044256 0.659537 0.251457 Cr\n0.671190 0.158250 0.445356 Ge\n0.773327 0.344889 0.046468 Ge\n0.726672 0.844889 0.953531 Ge\n0.328810 0.841749 0.554644 Ge\n0.273328 0.155111 0.046468 Ge\n0.171190 0.341750 0.445356 Ge\n0.828809 0.658250 0.554643 Ge\n0.226673 0.655111 0.953531 Ge\n0.677506 0.334210 0.855603 O\n0.763069 0.667404 0.362790 O\n0.668153 0.818225 0.613204 O\n0.831846 0.318225 0.386796 O\n0.331847 0.181774 0.386796 O\n0.168154 0.681774 0.613204 O\n0.738423 0.494667 0.633842 O\n0.761577 0.994667 0.366157 O\n0.261577 0.505332 0.366157 O\n0.238423 0.005332 0.633842 O\n0.834803 0.529015 0.112960 O\n0.263070 0.832596 0.362790 O\n0.496027 0.703278 0.881052 O\n0.996027 0.796721 0.881052 O\n0.503973 0.296721 0.118947 O\n0.334803 0.970984 0.112960 O\n0.003973 0.203279 0.118947 O\n0.665197 0.029015 0.887039 O\n0.165197 0.470985 0.887039 O\n0.736931 0.167404 0.637209 O\n0.322493 0.665790 0.144396 O\n0.822493 0.834210 0.144396 O\n0.236931 0.332596 0.637209 O\n0.177507 0.165790 0.855603 O\n",
"nsites": 40,
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"elements": [
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],
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"density_atomic": 0.09052677378319984,
"volume": 441.85822965253277,
"volume_molar": 6.652331137329896,
"formula_full": "Li4 Cr4 Ge8 O24",
"formula_reduced": "LiCr(GeO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
},
{
"id": "jvasp-69419",
"created_at": "2022-09-04T14:36:21.061491Z",
"updated_at": "2022-09-04T14:36:21.061517Z",
"structure_string": "Be2 Mo1 P1\n1.0\n-1.682097 1.682097 3.904236\n1.682097 -1.682097 3.904236\n1.682097 1.682097 -3.904236\nBe Mo P\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Mo\n0.750001 0.250000 0.500001 P\n",
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],
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"density": 5.446701986192778,
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"volume": 44.18736715775857,
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"formula_full": "Be2 Mo1 P1",
"formula_reduced": "Be2MoP",
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"spacegroup": 119
},
{
"id": "jvasp-43822",
"created_at": "2022-09-04T14:36:10.027926Z",
"updated_at": "2022-09-04T14:36:10.027959Z",
"structure_string": "Co6 O2 F10\n1.0\n4.629396 -0.085082 0.019106\n-0.085082 4.629396 0.019106\n0.039758 0.039758 9.281634\nCo O F\n6 2 10\ndirect\n0.962217 0.962217 0.004429 Co\n0.037785 0.037785 0.328904 Co\n0.000000 0.000000 0.666667 Co\n0.500001 0.500001 0.166667 Co\n0.502770 0.502770 0.845022 Co\n0.497232 0.497232 0.488312 Co\n0.323506 0.323506 0.325459 O\n0.676496 0.676496 0.007875 O\n0.794907 0.205095 0.166667 F\n0.725597 0.725597 0.331510 F\n0.694257 0.694257 0.664303 F\n0.305744 0.305744 0.669030 F\n0.205095 0.794907 0.166667 F\n0.212317 0.815004 0.499206 F\n0.184998 0.787685 0.834128 F\n0.787685 0.184998 0.834128 F\n0.274405 0.274405 0.001824 F\n0.815004 0.212317 0.499206 F\n",
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"volume": 198.84319908730137,
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"formula_full": "Co6 O2 F10",
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"spacegroup": 12
}
]
}