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{
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"results": [
{
"id": "jvasp-116958",
"created_at": "2022-09-04T14:38:47.461783Z",
"updated_at": "2022-09-04T14:38:47.461799Z",
"structure_string": "Cu6 C4 O16\n1.0\n5.592391 -0.000000 0.000000\n0.000000 4.935289 0.394296\n-0.000000 -0.068358 10.538568\nCu C O\n6 4 16\ndirect\n0.500000 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.004702 0.758046 0.583694 Cu\n0.504702 0.241953 0.916306 Cu\n0.995297 0.241953 0.416306 Cu\n0.495297 0.758047 0.083694 Cu\n0.687385 0.675130 0.318838 C\n0.187385 0.324870 0.181162 C\n0.812615 0.675129 0.818839 C\n0.312615 0.324870 0.681162 C\n0.725516 0.535143 0.916921 O\n0.295702 0.410938 0.793153 O\n0.795701 0.589062 0.706848 O\n0.774484 0.535143 0.416921 O\n0.274484 0.464857 0.083079 O\n0.225516 0.464856 0.583079 O\n0.580676 0.903204 0.333821 O\n0.683699 0.061296 0.044732 O\n0.419324 0.096796 0.666179 O\n0.919324 0.903204 0.833821 O\n0.183700 0.938704 0.455269 O\n0.204298 0.410938 0.293153 O\n0.816300 0.061296 0.544732 O\n0.316300 0.938703 0.955269 O\n0.080676 0.096796 0.166179 O\n0.704298 0.589062 0.206848 O\n",
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{
"id": "jvasp-79230",
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"structure_string": "Fe1 Ag1 O2\n1.0\n-1.415254 2.451292 -0.000000\n-2.830507 0.000000 -0.000000\n-1.415254 0.817097 6.452602\nFe Ag O\n1 1 2\ndirect\n0.001677 0.001674 0.994973 Fe\n0.837265 0.837264 0.488206 Ag\n0.719887 0.719885 0.840342 O\n0.282174 0.282174 0.153478 O\n",
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{
"id": "jvasp-36039",
"created_at": "2022-09-04T14:37:11.526476Z",
"updated_at": "2022-09-04T14:37:11.526503Z",
"structure_string": "Pt1 C1\n1.0\n2.818282 0.000000 0.000000\n0.000000 2.818282 0.000000\n-0.000000 0.000000 2.818282\nPt C\n1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 C\n",
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"elements": [
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],
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"density": 15.362600654230567,
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"volume": 22.384806295222322,
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"formula_full": "Pt1 C1",
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"spacegroup": 221
},
{
"id": "jvasp-86336",
"created_at": "2022-09-04T14:36:11.821853Z",
"updated_at": "2022-09-04T14:36:11.821873Z",
"structure_string": "Si4 Ni8\n1.0\n3.733554 0.000000 0.000000\n-0.000000 5.084831 0.000000\n0.000000 0.000000 7.074520\nSi Ni\n4 8\ndirect\n0.250000 0.782483 0.115162 Si\n0.749999 0.217517 0.884838 Si\n0.250000 0.282483 0.384838 Si\n0.749999 0.717516 0.615162 Si\n0.250000 0.960440 0.798882 Ni\n0.749999 0.039560 0.201118 Ni\n0.250000 0.460440 0.701118 Ni\n0.749999 0.539560 0.298882 Ni\n0.250000 0.832515 0.439439 Ni\n0.749999 0.167485 0.560561 Ni\n0.250000 0.332515 0.060561 Ni\n0.749999 0.667484 0.939439 Ni\n",
"nsites": 12,
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"elements": [
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],
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"density": 7.194381358419409,
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"volume": 134.30616211383375,
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"formula_full": "Si4 Ni8",
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},
{
"id": "jvasp-85837",
"created_at": "2022-09-04T14:35:46.651826Z",
"updated_at": "2022-09-04T14:35:46.651854Z",
"structure_string": "Si4 Ni8\n1.0\n3.733554 -0.000000 0.000000\n0.000000 5.084831 0.000000\n0.000000 0.000000 7.074520\nSi Ni\n4 8\ndirect\n0.250000 0.782483 0.115162 Si\n0.749999 0.217517 0.884838 Si\n0.250000 0.282483 0.384838 Si\n0.749999 0.717516 0.615162 Si\n0.250000 0.960440 0.798882 Ni\n0.749999 0.039560 0.201118 Ni\n0.250000 0.460440 0.701118 Ni\n0.749999 0.539560 0.298882 Ni\n0.250000 0.832515 0.439439 Ni\n0.749999 0.167485 0.560561 Ni\n0.250000 0.332515 0.060561 Ni\n0.749999 0.667484 0.939439 Ni\n",
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"elements": [
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"formula_full": "Si4 Ni8",
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{
"id": "jvasp-52577",
"created_at": "2022-09-04T14:35:47.399241Z",
"updated_at": "2022-09-04T14:35:47.399263Z",
"structure_string": "Li8 Ag4 F12\n1.0\n2.931687 0.000000 0.000000\n-0.000000 7.414250 0.000000\n0.000000 0.000000 12.357755\nLi Ag F\n8 4 12\ndirect\n0.250000 0.854235 0.979318 Li\n0.750001 0.530583 0.916615 Li\n0.250000 0.030583 0.583385 Li\n0.750001 0.354235 0.520682 Li\n0.250000 0.645765 0.479318 Li\n0.750001 0.969417 0.416615 Li\n0.250000 0.469417 0.083385 Li\n0.750001 0.145765 0.020682 Li\n0.250000 0.174144 0.263203 Ag\n0.750001 0.674144 0.236798 Ag\n0.250000 0.325856 0.763203 Ag\n0.750001 0.825856 0.736798 Ag\n0.250000 0.030740 0.094458 F\n0.250000 0.341047 0.952654 F\n0.750001 0.969260 0.905542 F\n0.250000 0.642379 0.848659 F\n0.750001 0.142379 0.651342 F\n0.250000 0.469260 0.594458 F\n0.750001 0.841047 0.547346 F\n0.250000 0.158952 0.452654 F\n0.750001 0.530740 0.405542 F\n0.250000 0.857621 0.348659 F\n0.750001 0.357621 0.151342 F\n0.750001 0.658952 0.047346 F\n",
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"volume": 268.61137989484723,
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"formula_full": "Li8 Ag4 F12",
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"formula_anonymous": "AB2C3",
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"spacegroup": 62
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{
"id": "jvasp-104828",
"created_at": "2022-09-04T14:36:56.016596Z",
"updated_at": "2022-09-04T14:36:56.016606Z",
"structure_string": "V2 Zn1 O6\n1.0\n4.687071 0.016635 1.718135\n3.357835 3.270146 1.718135\n0.043186 0.017644 6.614289\nV Zn O\n2 1 6\ndirect\n0.165713 0.211781 0.347463 V\n0.788219 0.834286 0.652536 V\n0.976517 0.023483 -0.000001 Zn\n0.286355 0.332435 0.563160 O\n0.319286 0.365537 0.109447 O\n0.667564 0.713644 0.436839 O\n0.634463 0.680713 0.890552 O\n0.947823 0.993934 0.719016 O\n0.006065 0.052177 0.280983 O\n",
"nsites": 9,
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],
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"formula_full": "V2 Zn1 O6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 12
},
{
"id": "jvasp-10930",
"created_at": "2022-09-04T14:37:20.076331Z",
"updated_at": "2022-09-04T14:37:20.076356Z",
"structure_string": "Mg3 V2 O8\n1.0\n5.228318 -0.000000 3.018571\n1.742773 4.929305 3.018571\n0.150905 0.106706 5.775766\nMg V O\n3 2 8\ndirect\n0.500001 0.000000 0.500000 Mg\n-0.000000 0.500001 0.500000 Mg\n0.500000 0.500001 0.500000 Mg\n0.124162 0.124162 0.127514 V\n0.875838 0.875839 0.872485 V\n0.762829 0.762830 0.746681 O\n0.255920 0.255920 0.732241 O\n0.237170 0.772340 0.253319 O\n0.772340 0.237171 0.253318 O\n0.762830 0.227661 0.746681 O\n0.227661 0.762830 0.746681 O\n0.237171 0.237171 0.253319 O\n0.744080 0.744081 0.267759 O\n",
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"density_atomic": 0.08935640510381052,
"volume": 145.48481426594037,
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"formula_full": "Mg3 V2 O8",
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"formula_anonymous": "A2B3C8",
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{
"id": "jvasp-44074",
"created_at": "2022-09-04T14:38:17.727310Z",
"updated_at": "2022-09-04T14:38:17.727332Z",
"structure_string": "Li4 Fe3 Si3 O12\n1.0\n4.312982 0.004990 0.004571\n-2.150905 -4.903431 0.074909\n-2.144753 0.683281 -11.660274\nLi Fe Si O\n4 3 3 12\ndirect\n0.251116 0.917071 0.579815 Li\n0.754122 0.749308 0.753549 Li\n0.750082 0.422157 0.081918 Li\n0.246098 0.244778 0.251374 Li\n0.501620 0.833508 0.166692 Fe\n0.491699 0.488990 0.496193 Fe\n0.506401 0.177436 0.837116 Fe\n0.995998 0.664798 0.332712 Si\n0.005396 0.333197 0.666663 Si\n0.998569 0.002048 0.000629 Si\n0.866458 0.248176 0.968144 O\n0.343078 0.443043 0.773744 O\n0.337105 0.113532 0.110457 O\n0.650193 0.418623 0.365143 O\n0.113263 0.553422 0.222862 O\n0.108590 0.911885 0.886742 O\n0.888606 0.587772 0.628272 O\n0.896593 0.921417 0.288792 O\n0.309958 0.754684 0.446621 O\n0.126176 0.223370 0.559584 O\n0.686456 0.745514 0.044584 O\n0.672434 0.078606 0.705057 O\n",
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],
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"formula_full": "Li4 Fe3 Si3 O12",
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{
"id": "jvasp-73555",
"created_at": "2022-09-04T14:36:03.906135Z",
"updated_at": "2022-09-04T14:36:03.906159Z",
"structure_string": "Be2 Cr1 Mo1\n1.0\n-1.719151 1.719151 3.786256\n1.719151 -1.719151 3.786256\n1.719151 1.719151 -3.786256\nBe Cr Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500001 0.500001 0.000000 Cr\n0.750000 0.250000 0.500000 Mo\n",
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},
{
"id": "jvasp-43858",
"created_at": "2022-09-04T14:36:32.799677Z",
"updated_at": "2022-09-04T14:36:32.799712Z",
"structure_string": "Mn6 O5 F7\n1.0\n4.557890 -0.006574 -0.004740\n0.120401 5.633561 0.007183\n0.109828 0.429131 7.844471\nMn O F\n6 5 7\ndirect\n0.494937 0.501519 0.006383 Mn\n0.532014 0.808411 0.645744 Mn\n0.498847 0.172063 0.339776 Mn\n0.004114 0.350975 0.699251 Mn\n0.977294 0.660030 0.312079 Mn\n0.005541 0.995612 0.996436 Mn\n0.197801 0.282803 0.907645 O\n0.307181 0.458642 0.233369 O\n0.700762 0.878151 0.425301 O\n0.696164 0.534264 0.779585 O\n0.807074 0.716421 0.092646 O\n0.791857 0.364518 0.461728 F\n0.777032 0.033873 0.769287 F\n0.730318 0.203337 0.113054 F\n0.281774 0.136872 0.577896 F\n0.280420 0.798096 0.869493 F\n0.190043 0.637324 0.546366 F\n0.226828 0.967093 0.223957 F\n",
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"formula_full": "Mn6 O5 F7",
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},
{
"id": "jvasp-44638",
"created_at": "2022-09-04T14:38:09.117030Z",
"updated_at": "2022-09-04T14:38:09.117051Z",
"structure_string": "Li4 Nb1 Fe3 O8\n1.0\n5.004955 0.032660 0.102705\n0.058586 5.422264 0.066603\n0.151915 0.155207 6.602663\nLi Nb Fe O\n4 1 3 8\ndirect\n-0.008695 0.077670 0.384163 Li\n0.514187 0.434413 0.876227 Li\n-0.010492 0.580002 0.125153 Li\n0.518080 0.900293 0.625104 Li\n0.489003 0.929692 0.126584 Nb\n0.030068 0.117433 0.813352 Fe\n0.460401 0.428883 0.425022 Fe\n0.042199 0.521125 0.626088 Fe\n0.627198 0.077991 0.878909 O\n0.597869 0.085955 0.363108 O\n0.123581 0.436625 0.891430 O\n0.099678 0.422726 0.362062 O\n0.655432 0.564351 0.622468 O\n0.595546 0.595309 0.140590 O\n0.125917 0.890565 0.621861 O\n0.113649 0.936965 0.117874 O\n",
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],
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"density": 3.8602013796993844,
"density_atomic": 0.08936720300977746,
"volume": 179.0365980039621,
"volume_molar": 6.738647464821217,
"formula_full": "Li4 Nb1 Fe3 O8",
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}
]
}