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{
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"results": [
{
"id": "jvasp-11764",
"created_at": "2022-09-04T14:37:17.148409Z",
"updated_at": "2022-09-04T14:37:17.148434Z",
"structure_string": "Ti2 Mn2 O6\n1.0\n4.557329 -0.016858 3.219142\n1.658302 4.244946 3.219142\n-0.024784 -0.016858 5.579562\nTi Mn O\n2 2 6\ndirect\n0.853237 0.853236 0.853235 Ti\n0.146764 0.146764 0.146763 Ti\n0.640354 0.640353 0.640352 Mn\n0.359647 0.359647 0.359646 Mn\n0.048269 0.777180 0.437978 O\n0.777180 0.437979 0.048268 O\n0.437980 0.048269 0.777179 O\n0.951732 0.222820 0.562020 O\n0.562021 0.951732 0.222820 O\n0.222821 0.562021 0.951730 O\n",
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{
"id": "jvasp-110411",
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"updated_at": "2022-09-04T14:38:38.943427Z",
"structure_string": "Dy1 Lu1 Ir2\n1.0\n4.142568 0.000000 2.391712\n1.380856 3.905650 2.391712\n0.000000 0.000000 4.783425\nDy Lu Ir\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Dy\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.249999 Ir\n0.750001 0.750000 0.749998 Ir\n",
"nsites": 4,
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{
"id": "jvasp-48576",
"created_at": "2022-09-04T14:35:44.313533Z",
"updated_at": "2022-09-04T14:35:44.313568Z",
"structure_string": "Li5 Ti2 Co3 O10\n1.0\n5.066612 -0.041456 -0.008574\n0.791566 4.971296 -0.022060\n2.441285 2.015106 6.868774\nLi Ti Co O\n5 2 3 10\ndirect\n0.226877 0.501377 0.591883 Li\n0.423982 0.488657 0.201527 Li\n0.501318 0.005006 0.495578 Li\n0.782663 0.510977 0.403468 Li\n0.581468 0.509051 0.796036 Li\n0.112735 0.996432 0.296065 Ti\n0.882002 0.013451 0.700272 Ti\n0.309527 0.998789 0.887981 Co\n0.696006 0.002710 0.100802 Co\n0.000574 0.499997 0.999426 Co\n0.861371 0.778848 0.542291 O\n0.024035 0.760484 0.145866 O\n0.140262 0.226893 0.455421 O\n0.355712 0.241429 0.056763 O\n0.222330 0.744240 0.761746 O\n0.441008 0.769696 0.333543 O\n0.570250 0.247477 0.647845 O\n0.773290 0.243917 0.231832 O\n0.659536 0.760979 0.951517 O\n0.943253 0.240778 0.865262 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Co-Li-O-Ti",
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"density_atomic": 0.11523965848573144,
"volume": 173.5513647194323,
"volume_molar": 5.225753737152598,
"formula_full": "Li5 Ti2 Co3 O10",
"formula_reduced": "Li5Ti2Co3O10",
"formula_anonymous": "A2B3C5D10",
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"spacegroup": 1
},
{
"id": "jvasp-112319",
"created_at": "2022-09-04T14:38:26.368992Z",
"updated_at": "2022-09-04T14:38:26.369017Z",
"structure_string": "Ti4 Fe1 Se8\n1.0\n5.505298 -0.074893 4.062333\n0.971844 5.419357 4.062333\n-0.086413 -0.071302 8.436584\nTi Fe Se\n4 1 8\ndirect\n0.735821 0.264180 0.499999 Ti\n0.264179 0.735821 0.499999 Ti\n0.743632 0.743633 0.008112 Ti\n0.256368 0.256368 0.991886 Ti\n0.000000 0.000000 0.000000 Fe\n0.447964 0.447964 0.332104 Se\n0.552036 0.552037 0.667895 Se\n0.553577 0.048118 0.167868 Se\n0.446422 0.951883 0.832130 Se\n0.951883 0.446424 0.832130 Se\n0.048117 0.553578 0.167868 Se\n0.958663 0.958664 0.329013 Se\n0.041337 0.041337 0.670985 Se\n",
"nsites": 13,
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"elements": [
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],
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"density": 5.711324314419424,
"density_atomic": 0.05086811686455901,
"volume": 255.56283191323325,
"volume_molar": 11.838733436967004,
"formula_full": "Ti4 Fe1 Se8",
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{
"id": "jvasp-96874",
"created_at": "2022-09-04T14:35:59.599837Z",
"updated_at": "2022-09-04T14:35:59.599867Z",
"structure_string": "Cu2 H24 N4 Cl8 O4\n1.0\n7.478141 0.000000 0.000000\n-0.000000 7.478141 0.000000\n0.000000 0.000000 7.861199\nCu H N Cl O\n2 24 4 8 4\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.075750 0.415290 0.174041 H\n0.924250 0.584710 0.174041 H\n0.575750 0.084710 0.674041 H\n0.424250 0.915290 0.674041 H\n0.924250 0.584710 0.825959 H\n0.424250 0.915290 0.325959 H\n0.575750 0.084710 0.325959 H\n0.415290 0.075750 0.174041 H\n0.584710 0.924250 0.174041 H\n0.084710 0.575750 0.674041 H\n0.915290 0.424250 0.674041 H\n0.075750 0.415290 0.825959 H\n0.415290 0.075750 0.825959 H\n0.915290 0.424250 0.325959 H\n0.084710 0.575750 0.325959 H\n0.077199 0.077199 0.322294 H\n0.922801 0.922801 0.322294 H\n0.422801 0.577199 0.822295 H\n0.577199 0.422801 0.822295 H\n0.922801 0.922801 0.677706 H\n0.077199 0.077199 0.677706 H\n0.577199 0.422801 0.177706 H\n0.422801 0.577199 0.177706 H\n0.584710 0.924250 0.825959 H\n0.500000 0.000000 0.250000 N\n0.000000 0.500000 0.750000 N\n0.500000 0.000000 0.750000 N\n0.000000 0.500000 0.250000 N\n0.280615 0.719384 0.500000 Cl\n0.719384 0.280615 0.500000 Cl\n0.219384 0.219384 0.000000 Cl\n0.780615 0.780615 0.000000 Cl\n0.279832 0.720168 0.000000 Cl\n0.720168 0.279832 0.000000 Cl\n0.220168 0.220168 0.500000 Cl\n0.779832 0.779832 0.500000 Cl\n0.500000 0.500000 0.748302 O\n0.500000 0.500000 0.251698 O\n0.000000 0.000000 0.751698 O\n0.000000 0.000000 0.248302 O\n",
"nsites": 42,
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"elements": [
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"H",
"N",
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],
"chemical_system": "Cl-Cu-H-N-O",
"density": 2.096099832787508,
"density_atomic": 0.0955373522979661,
"volume": 439.6186307216109,
"volume_molar": 6.303441130771431,
"formula_full": "Cu2 H24 N4 Cl8 O4",
"formula_reduced": "CuH12N2(Cl2O)2",
"formula_anonymous": "AB2C2D4E12",
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"spacegroup": 136
},
{
"id": "jvasp-73572",
"created_at": "2022-09-04T14:36:05.833215Z",
"updated_at": "2022-09-04T14:36:05.833242Z",
"structure_string": "Mn1 Be2 Co1\n1.0\n-1.874245 1.874245 2.651404\n1.874245 -1.874245 2.651404\n1.874245 1.874245 -2.651404\nMn Be Co\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Mn\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.000000 Be\n0.250000 0.750001 0.500001 Co\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Co-Mn",
"density": 5.8788285977307195,
"density_atomic": 0.10736713660807794,
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"volume_molar": 5.608923689548143,
"formula_full": "Mn1 Be2 Co1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-38930",
"created_at": "2022-09-04T14:38:00.290943Z",
"updated_at": "2022-09-04T14:38:00.290968Z",
"structure_string": "Mn1 Be2 Co1\n1.0\n-0.000000 2.650786 2.650786\n2.650786 0.000000 2.650786\n2.650786 2.650786 0.000000\nMn Be Co\n1 2 1\ndirect\n0.750002 0.750002 0.750002 Mn\n0.000000 0.000000 0.000000 Be\n0.500002 0.500002 0.500002 Be\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
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"elements": [
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"formula_full": "Mn1 Be2 Co1",
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},
{
"id": "jvasp-56648",
"created_at": "2022-09-04T14:38:07.741712Z",
"updated_at": "2022-09-04T14:38:07.741731Z",
"structure_string": "Ba2 W2 O8\n1.0\n3.845294 -0.000000 -1.043207\n0.000000 6.032138 0.000000\n-0.014143 0.000000 7.556411\nBa W O\n2 2 8\ndirect\n0.143480 0.511968 0.286960 Ba\n0.856519 0.011968 0.713040 Ba\n0.406960 0.490838 0.813919 W\n0.593039 0.990838 0.186080 W\n0.513829 0.693548 0.027661 O\n0.671160 0.223186 0.342319 O\n0.079997 0.977613 0.159994 O\n0.920003 0.477613 0.840005 O\n0.688638 0.790549 0.377277 O\n0.311362 0.290548 0.622722 O\n0.328840 0.723186 0.657680 O\n0.486170 0.193547 0.972339 O\n",
"nsites": 12,
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],
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"density_atomic": 0.06849918957393074,
"volume": 175.18455436685826,
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"formula_full": "Ba2 W2 O8",
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},
{
"id": "jvasp-119069",
"created_at": "2022-09-04T14:38:50.591237Z",
"updated_at": "2022-09-04T14:38:50.591269Z",
"structure_string": "Tm4 Al18 Ir6\n1.0\n7.515828 0.007054 0.000000\n-3.716026 6.532907 0.000000\n0.000000 0.000000 9.449412\nTm Al Ir\n4 18 6\ndirect\n0.995702 0.671777 0.250000 Tm\n0.004298 0.328223 0.750000 Tm\n0.671777 0.995702 0.250000 Tm\n0.328223 0.004298 0.750000 Tm\n0.450892 0.660739 0.750000 Al\n0.549108 0.339261 0.250000 Al\n0.660739 0.450892 0.750000 Al\n0.339261 0.549108 0.250000 Al\n0.333047 0.333047 0.943939 Al\n0.666952 0.666952 0.056061 Al\n0.666952 0.666952 0.443939 Al\n0.333047 0.333047 0.556061 Al\n0.335303 0.000717 0.075243 Al\n0.664696 0.999283 0.575243 Al\n0.000717 0.335304 0.424757 Al\n0.335303 0.000717 0.424757 Al\n0.999283 0.664696 0.575243 Al\n0.999283 0.664696 0.924757 Al\n0.000717 0.335304 0.075243 Al\n0.871217 0.871217 0.750000 Al\n0.128783 0.128783 0.250000 Al\n0.664696 0.999283 0.924757 Al\n0.000000 0.000000 0.000000 Ir\n0.672089 0.327910 -0.000000 Ir\n0.327910 0.672090 -0.000000 Ir\n0.327910 0.672090 0.500000 Ir\n0.672089 0.327910 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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{
"id": "jvasp-119937",
"created_at": "2022-09-04T14:38:54.291551Z",
"updated_at": "2022-09-04T14:38:54.291579Z",
"structure_string": "Ba1 C1 O1\n1.0\n4.486333 0.000000 0.000000\n-2.243167 3.885279 -0.000000\n0.000000 0.000000 4.140400\nBa C O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.000000 C\n0.666667 0.333333 0.000000 O\n",
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},
{
"id": "jvasp-42684",
"created_at": "2022-09-04T14:37:05.533256Z",
"updated_at": "2022-09-04T14:37:05.533276Z",
"structure_string": "Li2 V2 P2 H2 O10\n1.0\n5.365540 -0.182520 -0.064130\n-1.173811 5.977680 -0.011334\n-1.602416 -1.999720 6.015110\nLi V P H O\n2 2 2 2 10\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.761196 0.381414 0.272367 V\n0.238804 0.618586 0.727634 V\n0.345824 0.554316 0.232517 P\n0.654176 0.445684 0.767484 P\n0.662238 0.939647 0.157648 H\n0.337762 0.060353 0.842352 H\n0.177053 0.921064 0.759322 O\n0.164773 0.590313 0.385849 O\n0.336012 0.288368 0.154873 O\n0.663988 0.711633 0.845127 O\n0.651370 0.681720 0.364238 O\n0.822947 0.078936 0.240679 O\n0.254679 0.653157 0.042524 O\n0.745321 0.346843 0.957477 O\n0.835226 0.409687 0.614152 O\n0.348629 0.318280 0.635763 O\n",
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"formula_full": "Li2 V2 P2 H2 O10",
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{
"id": "jvasp-23343",
"created_at": "2022-09-04T14:37:47.931063Z",
"updated_at": "2022-09-04T14:37:47.931095Z",
"structure_string": "Co8 Si4\n1.0\n3.713690 -0.000000 0.000000\n0.000000 4.904398 0.000000\n0.000000 0.000000 7.059441\nCo Si\n8 4\ndirect\n0.750000 0.827568 0.434753 Co\n0.250000 0.172433 0.565247 Co\n0.750000 0.327567 0.065247 Co\n0.250000 0.672433 0.934753 Co\n0.250000 0.536541 0.283494 Co\n0.750000 0.463459 0.716506 Co\n0.250000 0.036541 0.216506 Co\n0.750000 0.963459 0.783494 Co\n0.250000 0.204398 0.894234 Si\n0.750000 0.795603 0.105766 Si\n0.250000 0.704398 0.605766 Si\n0.750000 0.295603 0.394234 Si\n",
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}
]
}