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{
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"results": [
{
"id": "jvasp-44427",
"created_at": "2022-09-04T14:38:01.762264Z",
"updated_at": "2022-09-04T14:38:01.762284Z",
"structure_string": "Li4 Mn6 Ni2 O16\n1.0\n2.849265 -4.935071 -0.000000\n2.849265 4.935071 0.000000\n-0.000000 -0.000000 9.432695\nLi Mn Ni O\n4 6 2 16\ndirect\n0.333332 0.666666 0.105457 Li\n0.000000 0.000000 0.001808 Li\n0.000000 0.000000 0.501808 Li\n0.666666 0.333332 0.605457 Li\n0.831362 0.168637 0.285731 Mn\n0.337276 0.168637 0.285731 Mn\n0.831361 0.662723 0.285731 Mn\n0.168637 0.831362 0.785731 Mn\n0.168637 0.337276 0.785731 Mn\n0.662723 0.831361 0.785731 Mn\n0.333332 0.666666 0.509888 Ni\n0.666666 0.333332 0.009887 Ni\n0.318829 0.159415 0.896025 O\n0.840584 0.159414 0.896025 O\n0.666666 0.333332 0.393204 O\n0.517187 0.482811 0.168067 O\n0.517187 0.034375 0.168067 O\n0.681170 0.840584 0.396025 O\n0.482811 0.965623 0.668067 O\n0.034375 0.517187 0.668067 O\n0.159414 0.840584 0.396025 O\n0.000000 0.000000 0.186249 O\n0.000000 0.000000 0.686249 O\n0.333332 0.666666 0.893204 O\n0.965623 0.482811 0.168067 O\n0.159415 0.318829 0.396025 O\n0.482811 0.517187 0.668067 O\n0.840584 0.681170 0.896025 O\n",
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{
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"structure_string": "Be1 Re1 Bi2\n1.0\n-2.351641 2.351641 3.698035\n2.351641 -2.351641 3.698035\n2.351641 2.351641 -3.698035\nBe Re Bi\n1 1 2\ndirect\n0.749999 0.250000 0.500000 Be\n0.250000 0.749999 0.500000 Re\n0.000000 0.000000 0.000000 Bi\n0.499999 0.499999 0.000000 Bi\n",
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{
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"created_at": "2022-09-04T14:36:39.755351Z",
"updated_at": "2022-09-04T14:36:39.755369Z",
"structure_string": "Y6 Co1 Bi2\n1.0\n4.186690 -7.251560 0.000000\n4.186690 7.251560 -0.000000\n-0.000000 -0.000000 4.090633\nY Co Bi\n6 1 2\ndirect\n-0.000000 0.768348 0.000000 Y\n0.396784 -0.000000 0.500000 Y\n0.603216 0.603216 0.500000 Y\n0.231652 0.231652 0.000000 Y\n0.768348 -0.000000 0.000000 Y\n-0.000000 0.396784 0.500000 Y\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.000000 Bi\n0.666667 0.333333 0.000000 Bi\n",
"nsites": 9,
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"elements": [
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"density": 6.754437605131933,
"density_atomic": 0.036234289208625384,
"volume": 248.38351176646228,
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"formula_full": "Y6 Co1 Bi2",
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"formula_anonymous": "AB2C6",
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{
"id": "jvasp-79500",
"created_at": "2022-09-04T14:36:49.399845Z",
"updated_at": "2022-09-04T14:36:49.399869Z",
"structure_string": "V1 Fe1 Co1 Ge1\n1.0\n-2.873923 -2.873923 -0.000000\n-2.873923 0.000000 -2.873923\n0.000000 -2.873923 -2.873923\nV Fe Co Ge\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 V\n0.749999 0.749999 0.749999 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"volume": 47.473951287526766,
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"formula_full": "V1 Fe1 Co1 Ge1",
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{
"id": "jvasp-39556",
"created_at": "2022-09-04T14:37:51.285903Z",
"updated_at": "2022-09-04T14:37:51.285934Z",
"structure_string": "Ti6 Br2\n1.0\n2.823494 -4.890436 -0.000000\n2.823494 4.890436 -0.000000\n-0.000000 -0.000000 4.932142\nTi Br\n6 2\ndirect\n0.681205 0.840602 0.750000 Ti\n0.159396 0.318793 0.750000 Ti\n0.159396 0.840603 0.750000 Ti\n0.318793 0.159396 0.250000 Ti\n0.840602 0.681205 0.250000 Ti\n0.840603 0.159396 0.250000 Ti\n0.333332 0.666666 0.250000 Br\n0.666666 0.333332 0.750000 Br\n",
"nsites": 8,
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{
"id": "jvasp-45911",
"created_at": "2022-09-04T14:38:10.897092Z",
"updated_at": "2022-09-04T14:38:10.897115Z",
"structure_string": "Li4 Fe2 Te1 W1 O12\n1.0\n5.002431 -0.002824 -0.002110\n0.000226 5.246881 -0.018991\n0.007384 0.506815 7.233771\nLi Fe Te W O\n4 2 1 1 12\ndirect\n0.994291 0.423141 0.717507 Li\n0.505271 0.932275 0.210386 Li\n0.001828 0.428950 0.210262 Li\n0.498171 0.927466 0.717401 Li\n0.999800 0.000559 0.497745 Fe\n0.499464 0.497244 0.001040 Fe\n0.499289 0.498804 0.499247 Te\n0.000104 0.995864 0.997153 W\n0.311710 0.203678 0.063667 O\n0.168207 0.325551 0.442101 O\n0.806734 0.319289 0.949670 O\n0.366622 0.519791 0.756188 O\n0.634028 0.521821 0.246679 O\n0.884794 0.009952 0.258273 O\n0.812135 0.701181 0.575903 O\n0.682662 0.815473 0.948505 O\n0.120246 0.014922 0.749505 O\n0.697945 0.192294 0.579660 O\n0.197906 0.695859 0.065869 O\n0.318787 0.833497 0.442034 O\n",
"nsites": 20,
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"elements": [
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"W",
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],
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"density": 5.621163430195798,
"density_atomic": 0.105310724759948,
"volume": 189.91418058881732,
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"formula_full": "Li4 Fe2 Te1 W1 O12",
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"formula_anonymous": "ABC2D4E12",
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"spacegroup": 1
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{
"id": "jvasp-38808",
"created_at": "2022-09-04T14:38:02.852626Z",
"updated_at": "2022-09-04T14:38:02.852647Z",
"structure_string": "Nb1 Ga1 Fe2\n1.0\n0.000000 2.960572 2.960572\n2.960572 0.000000 2.960572\n2.960572 2.960572 -0.000000\nNb Ga Fe\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Nb\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Fe\n0.500001 0.500001 0.500001 Fe\n",
"nsites": 4,
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"elements": [
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},
{
"id": "jvasp-117256",
"created_at": "2022-09-04T14:38:51.967196Z",
"updated_at": "2022-09-04T14:38:51.967222Z",
"structure_string": "Li4 V6 Te2 O16\n1.0\n5.115323 -0.009574 2.837950\n1.591834 9.595472 -2.837157\n-0.136029 0.094869 6.274790\nLi V Te O\n4 6 2 16\ndirect\n0.316294 0.561227 0.367401 Li\n0.816295 0.061231 0.367401 Li\n0.186417 0.937863 0.627156 Li\n0.686435 0.437860 0.627155 Li\n-0.002967 0.509252 0.005950 V\n0.734637 0.246862 0.005947 V\n0.497013 0.009255 0.005954 V\n0.759413 0.746862 0.005948 V\n0.234624 0.746867 0.005964 V\n0.259408 0.246867 0.005960 V\n0.736672 0.754437 0.526626 Te\n0.236704 0.254437 0.526626 Te\n0.652282 0.624820 0.222187 O\n0.878307 0.373903 0.775492 O\n0.378277 0.873909 0.775518 O\n0.346207 0.373908 0.775516 O\n0.846203 0.873903 0.775488 O\n0.152282 0.124832 0.222224 O\n0.625526 0.124821 0.222192 O\n0.609007 0.130330 0.781974 O\n0.388900 0.361444 0.222206 O\n0.888888 0.861445 0.222206 O\n0.907081 0.364307 0.185834 O\n0.407081 0.864307 0.185837 O\n0.612239 0.639948 0.775521 O\n0.109017 0.630331 0.781977 O\n0.125489 0.624831 0.222225 O\n0.112244 0.139948 0.775519 O\n",
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"formula_full": "Li4 V6 Te2 O16",
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{
"id": "jvasp-97920",
"created_at": "2022-09-04T14:35:50.604596Z",
"updated_at": "2022-09-04T14:35:50.604617Z",
"structure_string": "V4 Te4 O18\n1.0\n4.861686 0.043507 -0.803566\n-0.388799 4.846296 -0.803581\n0.003135 0.003380 14.481014\nV Te O\n4 4 18\ndirect\n0.409178 0.008541 0.320202 V\n0.338833 0.438284 0.179761 V\n0.561705 0.661182 0.820239 V\n0.991449 0.590829 0.679798 V\n0.128424 0.154337 0.904643 Te\n0.000347 0.526196 0.404637 Te\n0.845676 0.871565 0.095357 Te\n0.473796 0.999654 0.595361 Te\n0.654131 0.958482 0.405986 O\n0.894090 0.909678 0.805223 O\n0.697370 0.502211 0.906099 O\n0.071816 0.928188 -0.000000 O\n0.145510 0.661136 0.305200 O\n0.557254 0.303212 0.285917 O\n0.090336 0.105902 0.194776 O\n0.497817 0.302616 0.093903 O\n0.338856 0.854497 0.694799 O\n0.041513 0.345875 0.594015 O\n0.462611 0.975696 0.893134 O\n0.521125 0.767271 0.214002 O\n0.321794 0.678203 0.500000 O\n0.819377 0.832220 0.606841 O\n0.167784 0.180616 0.393158 O\n0.024330 0.537381 0.106862 O\n0.232718 0.478890 0.786000 O\n0.696778 0.442756 0.714084 O\n",
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"formula_full": "V4 Te4 O18",
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"formula_anonymous": "A2B2C9",
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{
"id": "jvasp-78284",
"created_at": "2022-09-04T14:36:32.829783Z",
"updated_at": "2022-09-04T14:36:32.829803Z",
"structure_string": "Mn1 N1\n1.0\n-2.129315 -2.129315 0.000000\n-2.129315 0.000000 -2.129315\n0.000000 -2.129315 -2.129315\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750002 0.750002 0.750002 N\n",
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{
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"updated_at": "2022-09-04T14:38:51.745099Z",
"structure_string": "Li4 Fe2 B4 O12\n1.0\n4.014286 0.000000 2.317649\n1.338095 9.826797 2.317648\n0.000000 0.000000 4.635298\nLi Fe B O\n4 2 4 12\ndirect\n0.904242 0.287276 0.904242 Li\n0.404241 0.787276 0.404242 Li\n0.595759 0.212724 0.595759 Li\n0.095758 0.712724 0.095759 Li\n0.500000 0.500000 0.500001 Fe\n0.000000 0.000000 0.000000 Fe\n0.202504 0.392486 0.202505 B\n0.702504 0.892487 0.702506 B\n0.297496 0.107514 0.297496 B\n0.797496 0.607514 0.797496 B\n0.740739 0.884969 0.984227 O\n0.240739 0.384969 0.484226 O\n0.984226 0.884969 0.390067 O\n0.484226 0.384969 0.890067 O\n0.515774 0.615031 0.109934 O\n0.890067 0.384969 0.240739 O\n0.759261 0.615031 0.515775 O\n0.259261 0.115031 0.015774 O\n0.390066 0.884969 0.740740 O\n0.609934 0.115031 0.259261 O\n0.015774 0.115031 0.609934 O\n0.109933 0.615031 0.759262 O\n",
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],
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"density_atomic": 0.12031637138580967,
"volume": 182.8512591146405,
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"formula_full": "Li4 Fe2 B4 O12",
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"spacegroup": 148
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{
"id": "jvasp-51317",
"created_at": "2022-09-04T14:37:01.901538Z",
"updated_at": "2022-09-04T14:37:01.901573Z",
"structure_string": "Mo1 Pt2 Br1\n1.0\n0.000000 3.223944 3.223945\n3.223945 -0.000000 3.223945\n3.223945 3.223944 0.000000\nMo Pt Br\n1 2 1\ndirect\n0.250000 0.250001 0.250000 Mo\n0.000000 0.000000 0.000000 Pt\n0.749999 0.750003 0.749999 Pt\n0.499999 0.500002 0.499999 Br\n",
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],
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"density": 14.024326133641544,
"density_atomic": 0.05968528304708896,
"volume": 67.01819604079255,
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}
]
}