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{
"id": "jvasp-113024",
"created_at": "2022-09-04T14:38:45.868249Z",
"updated_at": "2022-09-04T14:38:45.868270Z",
"structure_string": "Er4 Mg2 Ti2 O12\n1.0\n5.589257 0.000000 0.000000\n-0.000000 4.347622 2.964429\n-0.000000 0.012153 9.233454\nEr Mg Ti O\n4 2 2 12\ndirect\n0.069158 0.728640 0.752050 Er\n0.930843 0.271359 0.247950 Er\n0.569158 0.271358 0.747950 Er\n0.430842 0.728641 0.252050 Er\n0.500000 0.500000 0.000000 Mg\n0.000000 0.499999 0.500000 Mg\n0.500000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.687579 0.360158 0.442467 O\n0.312421 0.639841 0.557533 O\n0.701961 0.752413 0.064066 O\n0.298040 0.247586 0.935934 O\n0.201961 0.247586 0.435934 O\n0.545161 0.125166 0.256139 O\n0.045161 0.874833 0.243862 O\n0.954840 0.125166 0.756138 O\n0.812422 0.360157 0.942467 O\n0.454840 0.874833 0.743861 O\n0.798040 0.752413 0.564066 O\n0.187579 0.639842 0.057533 O\n",
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{
"id": "jvasp-111524",
"created_at": "2022-09-04T14:38:40.882696Z",
"updated_at": "2022-09-04T14:38:40.882720Z",
"structure_string": "Er4 Mn1 S7\n1.0\n6.117520 -0.041585 1.493873\n5.007821 3.513902 1.493873\n-0.048306 -0.015077 11.161020\nEr Mn S\n4 1 7\ndirect\n0.699332 0.699330 0.210543 Er\n0.305396 0.305395 0.795490 Er\n0.105788 0.105787 0.557578 Er\n0.000696 0.000696 0.009575 Er\n0.891384 0.891380 0.431821 Mn\n0.030716 0.030715 0.236595 S\n0.966908 0.966904 0.782898 S\n0.337081 0.337080 0.053576 S\n0.661320 0.661316 0.945356 S\n0.746003 0.746000 0.628441 S\n0.278778 0.278776 0.357740 S\n0.476608 0.476606 0.490383 S\n",
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"formula_anonymous": "AB4C7",
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"spacegroup": 8
},
{
"id": "jvasp-62894",
"created_at": "2022-09-04T14:35:48.804758Z",
"updated_at": "2022-09-04T14:35:48.804768Z",
"structure_string": "Er4 Mn4 B16\n1.0\n3.399588 0.000000 0.000000\n0.000000 5.872711 -0.000000\n0.000000 0.000000 11.350585\nEr Mn B\n4 4 16\ndirect\n0.000000 0.126130 0.849601 Er\n0.000000 0.873870 0.150399 Er\n0.000000 0.373870 0.349601 Er\n0.000000 0.626130 0.650399 Er\n0.000000 0.127781 0.583834 Mn\n0.000000 0.872219 0.416166 Mn\n0.000000 0.372219 0.083834 Mn\n0.000000 0.627781 0.916165 Mn\n0.500000 0.524850 0.191428 B\n0.500000 0.475150 0.808572 B\n0.500000 0.887467 0.546621 B\n0.500000 0.112533 0.453379 B\n0.500000 0.612533 0.046621 B\n0.500000 0.387467 0.953378 B\n0.500000 0.862414 0.967996 B\n0.500000 0.782057 0.816043 B\n0.500000 0.637585 0.467997 B\n0.500000 0.362415 0.532003 B\n0.500000 0.024850 0.308572 B\n0.500000 0.217942 0.183956 B\n0.500000 0.717942 0.316043 B\n0.500000 0.282058 0.683956 B\n0.500000 0.137585 0.032003 B\n0.500000 0.975150 0.691427 B\n",
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"elements": [
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"Mn",
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],
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"density": 7.780258109238841,
"density_atomic": 0.1059078323757189,
"volume": 226.61213492555999,
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"formula_full": "Er4 Mn4 B16",
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"formula_anonymous": "ABC4",
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"spacegroup": 55
},
{
"id": "jvasp-91269",
"created_at": "2022-09-04T14:36:15.075311Z",
"updated_at": "2022-09-04T14:36:15.075341Z",
"structure_string": "Er4 Mn4 O12\n1.0\n5.229926 0.000000 0.000000\n-0.000000 5.644356 0.000000\n0.000000 0.000000 7.520106\nEr Mn O\n4 4 12\ndirect\n0.979401 0.077183 0.250000 Er\n0.520600 0.577183 0.250000 Er\n0.020599 0.922818 0.750000 Er\n0.479401 0.422818 0.750000 Er\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.884646 0.539036 0.750000 O\n0.384645 0.960965 0.250000 O\n0.693945 0.311329 0.442452 O\n0.693945 0.311329 0.057549 O\n0.193945 0.188672 0.942452 O\n0.806056 0.811329 0.442452 O\n0.306055 0.688672 0.557549 O\n0.306055 0.688672 0.942452 O\n0.806056 0.811329 0.057549 O\n0.193945 0.188672 0.557549 O\n0.115355 0.460965 0.250000 O\n0.615355 0.039036 0.750000 O\n",
"nsites": 20,
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"elements": [
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"Mn",
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"chemical_system": "Er-Mn-O",
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"formula_full": "Er4 Mn4 O12",
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"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-55419",
"created_at": "2022-09-04T14:38:30.154526Z",
"updated_at": "2022-09-04T14:38:30.154550Z",
"structure_string": "Er4 Mn4 O14\n1.0\n6.058108 -0.000000 3.497651\n2.019370 5.711639 3.497651\n0.000000 0.000000 6.995301\nEr Mn O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.500000 0.500001 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 -0.000000 Er\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.500000 0.000001 Mn\n0.670337 0.670338 0.079663 O\n0.079663 0.079663 0.670337 O\n0.670337 0.079663 0.079663 O\n0.329662 0.920338 0.920336 O\n0.375000 0.375001 0.375000 O\n0.670337 0.079663 0.670336 O\n0.079663 0.670338 0.079663 O\n0.329662 0.920338 0.329663 O\n0.329662 0.329663 0.920336 O\n0.920336 0.920338 0.329663 O\n0.920336 0.329663 0.920336 O\n0.079663 0.670338 0.670337 O\n0.624999 0.625000 0.625000 O\n0.920336 0.329663 0.329663 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Er-Mn-O",
"density": 7.634035143261474,
"density_atomic": 0.09089050420548474,
"volume": 242.04948792299055,
"volume_molar": 6.625709487082586,
"formula_full": "Er4 Mn4 O14",
"formula_reduced": "Er2Mn2O7",
"formula_anonymous": "A2B2C7",
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"spacegroup": 227
},
{
"id": "jvasp-59605",
"created_at": "2022-09-04T14:36:41.415071Z",
"updated_at": "2022-09-04T14:36:41.415100Z",
"structure_string": "Er4 Mn4 Si4\n1.0\n4.091643 -0.000000 0.000000\n0.000000 6.895521 0.000000\n0.000000 0.000000 7.418129\nEr Mn Si\n4 4 4\ndirect\n0.250000 0.005082 0.812136 Er\n0.749999 0.994918 0.187865 Er\n0.250000 0.505082 0.687865 Er\n0.749999 0.494918 0.312136 Er\n0.749999 0.857178 0.561445 Mn\n0.250000 0.142822 0.438556 Mn\n0.749999 0.357178 0.938556 Mn\n0.250000 0.642822 0.061444 Mn\n0.250000 0.290148 0.108782 Si\n0.749999 0.709852 0.891218 Si\n0.250000 0.790148 0.391218 Si\n0.749999 0.209852 0.608782 Si\n",
"nsites": 12,
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"elements": [
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],
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"density": 7.942924791300499,
"density_atomic": 0.0573352941842214,
"volume": 209.29516750090008,
"volume_molar": 10.503374658984981,
"formula_full": "Er4 Mn4 Si4",
"formula_reduced": "ErMnSi",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-98185",
"created_at": "2022-09-04T14:38:11.167609Z",
"updated_at": "2022-09-04T14:38:11.167633Z",
"structure_string": "Er4 Mn8\n1.0\n5.028263 -0.000000 0.000000\n-2.514131 4.354603 -0.000000\n0.000000 -0.000000 8.280937\nEr Mn\n4 8\ndirect\n0.333333 0.666666 0.437095 Er\n0.666666 0.333333 0.937095 Er\n0.666666 0.333333 0.562906 Er\n0.333333 0.666666 0.062906 Er\n0.169083 0.338167 0.750000 Mn\n0.830916 0.169083 0.250000 Mn\n0.338167 0.169083 0.250000 Mn\n0.661833 0.830916 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.830916 0.661833 0.250000 Mn\n0.169083 0.830916 0.750000 Mn\n",
"nsites": 12,
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"elements": [
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],
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"density": 10.152069306550963,
"density_atomic": 0.06618128767864061,
"volume": 181.32013475272538,
"volume_molar": 9.099461450859001,
"formula_full": "Er4 Mn8",
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"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-57297",
"created_at": "2022-09-04T14:38:14.674531Z",
"updated_at": "2022-09-04T14:38:14.674558Z",
"structure_string": "Er4 Mo4 O16 F4\n1.0\n0.000000 5.183504 -0.002452\n12.224342 0.000000 0.000000\n0.000000 -2.617513 -6.088565\nEr Mo O F\n4 4 16 4\ndirect\n0.360891 0.050501 0.199667 Er\n0.360891 0.449499 0.699667 Er\n0.639109 0.949499 0.800334 Er\n0.639109 0.550501 0.300333 Er\n0.076810 0.144228 0.628698 Mo\n0.076810 0.355772 0.128698 Mo\n0.923190 0.644228 0.871303 Mo\n0.923190 0.855772 0.371302 Mo\n0.241552 0.654349 0.096095 O\n0.189755 0.279087 0.705256 O\n0.002270 0.069151 0.837175 O\n0.758448 0.154349 0.403905 O\n0.002270 0.430849 0.337175 O\n0.997730 0.569150 0.662826 O\n0.997730 0.930849 0.162825 O\n0.810245 0.779087 0.794744 O\n0.308945 0.065214 0.537269 O\n0.189755 0.220913 0.205256 O\n0.758448 0.345651 0.903906 O\n0.308944 0.434786 0.037268 O\n0.810245 0.720913 0.294744 O\n0.241552 0.845651 0.596095 O\n0.691055 0.934786 0.462732 O\n0.691056 0.565214 0.962732 O\n0.545112 0.099444 0.963566 F\n0.545111 0.400556 0.463565 F\n0.454888 0.900556 0.036435 F\n0.454888 0.599444 0.536435 F\n",
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],
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"density": 5.959059163751338,
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"spacegroup": 14
},
{
"id": "jvasp-50457",
"created_at": "2022-09-04T14:37:34.014279Z",
"updated_at": "2022-09-04T14:37:34.014308Z",
"structure_string": "Er4 Nb4 O14\n1.0\n3.640582 -6.305673 -0.000000\n3.640582 6.305673 0.000000\n0.000000 -4.203783 5.945046\nEr Nb O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Er\n-0.000000 0.500000 -0.000000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n-0.000000 0.000000 0.500000 Nb\n0.500000 0.000000 0.500000 Nb\n0.500000 -0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.874999 0.625000 0.875001 O\n0.152240 0.902240 0.152240 O\n0.152240 0.902240 0.597760 O\n0.402240 0.652240 0.402241 O\n0.402240 0.652240 0.847760 O\n0.847759 0.097760 0.402241 O\n0.152240 0.347760 0.597760 O\n0.597759 0.347760 0.152240 O\n0.597759 0.347760 0.597760 O\n0.597759 0.902240 0.152240 O\n0.125000 0.375000 0.125000 O\n0.402240 0.097760 0.847760 O\n0.847759 0.097760 0.847760 O\n0.847759 0.652240 0.402241 O\n",
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"formula_anonymous": "A2B2C7",
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{
"id": "jvasp-92229",
"created_at": "2022-09-04T14:35:47.301207Z",
"updated_at": "2022-09-04T14:35:47.301228Z",
"structure_string": "Er4 Ni4\n1.0\n4.164018 0.000000 0.000000\n0.000000 5.330681 0.000000\n0.000000 0.000000 6.878356\nEr Ni\n4 4\ndirect\n0.750000 0.864752 0.819310 Er\n0.250000 0.135248 0.180691 Er\n0.250000 0.364752 0.680691 Er\n0.750000 0.635248 0.319310 Er\n0.250000 0.866641 0.538500 Ni\n0.750000 0.133358 0.461501 Ni\n0.750000 0.366642 0.961501 Ni\n0.250000 0.633358 0.038499 Ni\n",
"nsites": 8,
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],
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"formula_full": "Er4 Ni4",
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"spacegroup": 62
},
{
"id": "jvasp-87167",
"created_at": "2022-09-04T14:36:06.094232Z",
"updated_at": "2022-09-04T14:36:06.094258Z",
"structure_string": "Er4 Ni4 O12\n1.0\n5.139714 0.000000 -0.005102\n0.000000 5.565810 0.000000\n0.007066 0.000000 7.320035\nEr Ni O\n4 4 12\ndirect\n0.977519 0.080507 0.249998 Er\n0.022481 0.919493 0.750003 Er\n0.477520 0.419493 0.749999 Er\n0.522481 0.580507 0.250002 Er\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.607794 0.032727 0.749997 O\n0.892206 0.532727 0.750004 O\n0.690147 0.305256 0.447898 O\n0.690148 0.305255 0.052101 O\n0.809851 0.805255 0.447900 O\n0.309852 0.694745 0.947900 O\n0.190149 0.194745 0.552101 O\n0.190148 0.194744 0.947898 O\n0.309853 0.694744 0.552103 O\n0.809852 0.805256 0.052103 O\n0.107794 0.467273 0.249997 O\n0.392206 0.967273 0.250004 O\n",
"nsites": 20,
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],
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"volume": 209.4020378384787,
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"formula_full": "Er4 Ni4 O12",
"formula_reduced": "ErNiO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-30988",
"created_at": "2022-09-04T14:38:33.268985Z",
"updated_at": "2022-09-04T14:38:33.269000Z",
"structure_string": "Er4 Pd4 Pb2\n1.0\n7.836469 -0.000000 0.000000\n-0.000000 7.836469 0.000000\n-0.000000 0.000000 3.581748\nEr Pd Pb\n4 4 2\ndirect\n0.670145 0.170145 0.500000 Er\n0.170145 0.329855 0.500000 Er\n0.829855 0.670145 0.500000 Er\n0.329855 0.829855 0.500000 Er\n0.373983 0.126017 0.000000 Pd\n0.126017 0.626017 0.000000 Pd\n0.626017 0.873983 0.000000 Pd\n0.873983 0.373983 0.000000 Pd\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n",
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],
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"volume": 219.95602717958656,
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"formula_full": "Er4 Pd4 Pb2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
}
]
}