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{
"id": "jvasp-13254",
"created_at": "2022-09-04T14:38:10.076287Z",
"updated_at": "2022-09-04T14:38:10.076318Z",
"structure_string": "Nb1 Bi3 O7\n1.0\n3.812129 0.019077 0.014307\n1.788854 3.433837 -0.002856\n1.803424 1.124242 12.667926\nNb Bi O\n1 3 7\ndirect\n0.540557 0.459983 0.505037 Nb\n0.957243 0.065320 -0.000356 Bi\n0.217917 0.288577 0.273544 Bi\n0.715670 0.811295 0.737410 Bi\n0.513475 0.628810 0.349762 O\n0.894643 0.009269 0.188936 O\n0.772712 0.878652 0.542824 O\n0.137632 0.255037 0.464497 O\n0.018541 0.126923 0.814475 O\n0.402420 0.497896 0.659058 O\n0.625677 0.726743 0.987315 O\n",
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{
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"formula_full": "Tm1 Mg16 Al12",
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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",
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"elements": [
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"Sn",
"O"
],
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"density": 4.696475277825634,
"density_atomic": 0.09505112348705104,
"volume": 147.2891585748299,
"volume_molar": 6.335686038282763,
"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-77446",
"created_at": "2022-09-04T14:38:10.074921Z",
"updated_at": "2022-09-04T14:38:10.074945Z",
"structure_string": "Y2 Pt1 Au1\n1.0\n-11.599777 0.729740 1.158273\n-8.656835 -1.551724 2.898520\n-5.481535 4.502104 0.609316\nY Pt Au\n2 1 1\ndirect\n0.766473 0.000001 -0.021965 Y\n0.233529 -0.000003 0.021964 Y\n0.000000 0.000000 0.000000 Pt\n0.500001 -0.000001 -0.000000 Au\n",
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{
"id": "jvasp-18113",
"created_at": "2022-09-04T14:38:10.073287Z",
"updated_at": "2022-09-04T14:38:10.073306Z",
"structure_string": "Nd3 In1\n1.0\n4.955299 -0.000000 -0.000000\n-0.000000 4.955299 -0.000000\n0.000000 0.000000 4.955299\nNd In\n3 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 In\n",
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"density": 7.472372744428906,
"density_atomic": 0.03287383698383276,
"volume": 121.6773083703976,
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"formula_full": "Nd3 In1",
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{
"id": "jvasp-46864",
"created_at": "2022-09-04T14:38:10.072951Z",
"updated_at": "2022-09-04T14:38:10.072978Z",
"structure_string": "Li3 Co1 Ni3 O8\n1.0\n4.997023 1.475398 -2.446149\n1.617811 -5.479364 -0.000000\n1.617811 -2.500848 -4.875365\nLi Co Ni O\n3 1 3 8\ndirect\n0.500000 -0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n-0.000000 0.000000 0.500000 Ni\n-0.000000 0.500000 0.000000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.213849 0.232434 0.018586 O\n0.213849 0.232434 0.535130 O\n0.213849 0.748979 0.018586 O\n0.219181 0.739727 0.520546 O\n0.780818 0.260273 0.479453 O\n0.786150 0.251020 0.981414 O\n0.786150 0.767565 0.464870 O\n0.786150 0.767565 0.981414 O\n",
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"elements": [
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"Ni",
"O"
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"density": 4.7800214535974845,
"density_atomic": 0.11249449920608415,
"volume": 133.33985311157988,
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"formula_full": "Li3 Co1 Ni3 O8",
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{
"id": "jvasp-14535",
"created_at": "2022-09-04T14:38:10.069310Z",
"updated_at": "2022-09-04T14:38:10.069341Z",
"structure_string": "Ho2 Co4\n1.0\n4.317342 -0.000000 2.492618\n1.439114 4.070428 2.492618\n0.000000 0.000000 4.985237\nHo Co\n2 4\ndirect\n0.125000 0.125000 0.125000 Ho\n0.874999 0.875000 0.875002 Ho\n0.499999 0.500000 0.500001 Co\n0.499999 0.500000 0.000001 Co\n-0.000001 0.500000 0.500001 Co\n0.500000 -0.000000 0.500001 Co\n",
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"elements": [
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"formula_full": "Ho2 Co4",
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"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-108883",
"created_at": "2022-09-04T14:38:10.069137Z",
"updated_at": "2022-09-04T14:38:10.069147Z",
"structure_string": "Mg1 Ga1 Pt2\n1.0\n3.839284 -0.000000 2.216612\n1.279761 3.619712 2.216612\n-0.000000 -0.000000 4.433224\nMg Ga Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Pt\n0.749999 0.750000 0.749999 Pt\n",
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},
{
"id": "jvasp-17920",
"created_at": "2022-09-04T14:38:10.068230Z",
"updated_at": "2022-09-04T14:38:10.068260Z",
"structure_string": "Y1 Ge2 Ru2\n1.0\n3.966724 0.000000 -1.565431\n-0.617783 3.918322 -1.565431\n-0.009941 -0.011631 5.783268\nY Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.629903 0.629902 0.259806 Ge\n0.370097 0.370097 0.740195 Ge\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
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{
"id": "jvasp-42919",
"created_at": "2022-09-04T14:38:10.067613Z",
"updated_at": "2022-09-04T14:38:10.067653Z",
"structure_string": "Mn8 O14 F2\n1.0\n6.461603 -0.008027 -0.018503\n-0.717380 6.421663 -0.018609\n-2.808420 -3.135981 5.417003\nMn O F\n8 14 2\ndirect\n0.695320 0.446077 0.139345 Mn\n0.803773 0.049495 0.856058 Mn\n0.323590 0.547749 0.354134 Mn\n0.196077 0.945322 0.639347 Mn\n0.799496 0.053771 0.356058 Mn\n0.697601 0.448108 0.648480 Mn\n0.198109 0.947601 0.148479 Mn\n0.297752 0.573589 0.854138 Mn\n0.902848 0.981018 0.617326 O\n0.400372 0.479046 0.619243 O\n0.268895 0.856378 0.883708 O\n0.631498 0.718344 0.115906 O\n0.229046 0.650374 0.119248 O\n0.867701 0.778221 0.882756 O\n0.964636 0.388897 0.618436 O\n0.138899 0.214634 0.118437 O\n0.528217 0.117701 0.382753 O\n0.764164 0.347777 0.881302 O\n0.731018 0.152851 0.117330 O\n0.606380 0.518894 0.383713 O\n0.097779 0.014163 0.381306 O\n0.468346 0.881497 0.615905 O\n0.351725 0.286764 0.883298 F\n0.036757 0.601722 0.383295 F\n",
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{
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"created_at": "2022-09-04T14:38:10.067374Z",
"updated_at": "2022-09-04T14:38:10.067402Z",
"structure_string": "La1 Y3\n1.0\n5.083992 -0.000000 0.000000\n0.000000 5.083992 0.000000\n-0.000000 -0.000000 5.083992\nLa Y\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n",
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{
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"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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}
]
}