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{
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"results": [
{
"id": "jvasp-118992",
"created_at": "2022-09-04T14:38:52.618240Z",
"updated_at": "2022-09-04T14:38:52.618261Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.842622 -0.016724 -0.029141\n-1.393850 7.285264 -1.365468\n0.101852 0.053210 9.520952\nLi Mn Co O\n7 2 3 12\ndirect\n0.750377 0.000734 0.743921 Li\n0.249622 -0.000734 0.256079 Li\n0.424199 0.348654 0.757301 Li\n0.918057 0.336574 0.250015 Li\n0.081942 0.663426 0.749985 Li\n0.575800 0.651346 0.242698 Li\n-0.000000 0.500000 -0.000000 Li\n0.660683 0.821394 0.996421 Mn\n0.339316 0.178606 0.003579 Mn\n0.833477 0.166900 0.501528 Co\n0.499999 0.500000 0.500000 Co\n0.166522 0.833100 0.498472 Co\n0.623732 0.747831 0.605992 O\n0.209576 0.918888 0.888904 O\n0.710399 0.920578 0.391286 O\n0.869713 0.239093 0.885683 O\n0.376266 0.252169 0.394008 O\n0.551471 0.602792 0.879593 O\n0.043056 0.585861 0.391020 O\n0.289599 0.079422 0.608714 O\n0.790423 0.081112 0.111096 O\n0.956943 0.414139 0.608980 O\n0.448527 0.397208 0.120407 O\n0.130286 0.760907 0.114317 O\n",
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"formula_full": "Li7 Mn2 Co3 O12",
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{
"id": "jvasp-120200",
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"structure_string": "Ga2 P2\n1.0\n5.582638 0.690646 0.225073\n1.833663 -3.431931 -0.585330\n-2.207686 -4.716074 -5.707987\nGa P\n2 2\ndirect\n-0.018903 0.958611 -0.088846 Ga\n0.650213 -0.008935 0.043813 Ga\n0.637488 0.292074 0.249088 P\n-0.006185 0.657608 0.705883 P\n",
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"formula_full": "Ga2 P2",
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"spacegroup": 12
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{
"id": "jvasp-123679",
"created_at": "2022-09-04T14:38:52.730505Z",
"updated_at": "2022-09-04T14:38:52.730531Z",
"structure_string": "Mg1 Se2\n1.0\n1.793342 -3.568046 -0.785312\n2.193349 3.798990 -0.000000\n-0.877633 0.506701 5.331486\nMg Se\n1 2\ndirect\n0.000000 0.333348 0.166667 Mg\n0.877341 0.771996 0.421616 Se\n0.122662 -0.105343 0.911719 Se\n",
"nsites": 3,
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"elements": [
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"density": 4.058595677923711,
"density_atomic": 0.0402383336021358,
"volume": 74.55577136128629,
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"formula_full": "Mg1 Se2",
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"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-120477",
"created_at": "2022-09-04T14:38:52.790918Z",
"updated_at": "2022-09-04T14:38:52.790945Z",
"structure_string": "K1 Li1 Al2 Si4 O10 F2\n1.0\n5.289807 -0.005804 0.499156\n-2.718660 4.537728 0.499156\n-0.008150 -0.014365 10.344890\nK Li Al Si O F\n1 1 2 4 10 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.830140 0.169861 0.500000 Al\n0.169861 0.830139 0.500000 Al\n0.585721 0.248953 0.231384 Si\n0.414279 0.751047 0.768617 Si\n0.751047 0.414279 0.768617 Si\n0.248953 0.585721 0.231384 Si\n0.546233 0.546232 0.824584 O\n0.453768 0.453768 0.175417 O\n0.171460 0.537112 0.396838 O\n0.828541 0.462889 0.603163 O\n0.462889 0.828541 0.603163 O\n0.571853 0.059600 0.831700 O\n0.940401 0.428148 0.168300 O\n0.059600 0.571852 0.831701 O\n0.428148 0.940400 0.168300 O\n0.537112 0.171460 0.396838 O\n0.878498 0.878498 0.412126 F\n0.121503 0.121502 0.587875 F\n",
"nsites": 20,
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"elements": [
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"Li",
"Al",
"Si",
"O",
"F"
],
"chemical_system": "Al-F-K-Li-O-Si",
"density": 2.7449626924377477,
"density_atomic": 0.08057096920373032,
"volume": 248.22836559689824,
"volume_molar": 7.474330791246314,
"formula_full": "K1 Li1 Al2 Si4 O10 F2",
"formula_reduced": "KLiAl2Si4(O5F)2",
"formula_anonymous": "ABC2D2E4F10",
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{
"id": "jvasp-119458",
"created_at": "2022-09-04T14:38:52.871232Z",
"updated_at": "2022-09-04T14:38:52.871279Z",
"structure_string": "Na3 Pd5 F12\n1.0\n7.061055 -0.082814 2.164444\n3.700846 6.014074 2.164444\n0.097843 0.053925 6.782965\nNa Pd F\n3 5 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.741130 0.258869 0.499999 Na\n0.258870 0.741130 0.499999 Na\n0.769593 0.769593 0.467052 Pd\n0.230407 0.230406 0.532946 Pd\n0.500000 0.500000 -0.000001 Pd\n0.499999 0.000000 -0.000000 Pd\n0.000000 0.500000 -0.000000 Pd\n0.780459 0.362763 0.116042 F\n0.219541 0.637236 0.883957 F\n0.637237 0.219540 0.883957 F\n0.362763 0.780459 0.116042 F\n0.068124 0.068123 0.619785 F\n0.391191 0.391190 0.466970 F\n0.204681 0.204680 0.843997 F\n0.795319 0.795319 0.156001 F\n0.243236 0.243236 0.229753 F\n0.608809 0.608809 0.533028 F\n0.931876 0.931876 0.380213 F\n0.756764 0.756763 0.770245 F\n",
"nsites": 20,
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"volume": 288.4388936064269,
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"formula_full": "Na3 Pd5 F12",
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"formula_anonymous": "A3B5C12",
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{
"id": "jvasp-123696",
"created_at": "2022-09-04T14:38:52.952865Z",
"updated_at": "2022-09-04T14:38:52.952891Z",
"structure_string": "Pr1 Se2\n1.0\n2.257058 -3.821598 -0.602763\n2.181073 3.777728 -0.000000\n-0.726092 0.419209 5.863086\nPr Se\n1 2\ndirect\n-0.000000 0.333357 0.166667 Pr\n0.766020 0.716331 0.435376 Se\n0.233981 -0.049688 0.897959 Se\n",
"nsites": 3,
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"elements": [
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"density": 5.133754992893842,
"density_atomic": 0.031037484521840766,
"volume": 96.65731763438916,
"volume_molar": 19.402799075944056,
"formula_full": "Pr1 Se2",
"formula_reduced": "PrSe2",
"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-117806",
"created_at": "2022-09-04T14:38:52.934285Z",
"updated_at": "2022-09-04T14:38:52.934313Z",
"structure_string": "In1 Br1 O2\n1.0\n3.003881 -1.718292 0.034977\n3.003881 1.718292 0.034977\n-1.224458 0.000000 6.138953\nIn Br O\n1 1 2\ndirect\n0.500000 0.500000 0.000001 In\n0.999999 0.999999 0.500001 Br\n0.136275 0.136275 0.836557 O\n0.863724 0.863724 0.163443 O\n",
"nsites": 4,
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"elements": [
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],
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"volume": 63.52014209807885,
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"formula_full": "In1 Br1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-120279",
"created_at": "2022-09-04T14:38:53.539997Z",
"updated_at": "2022-09-04T14:38:53.540026Z",
"structure_string": "Li2 Cu2\n1.0\n4.434181 -0.814011 -0.436061\n-0.137610 -4.593445 0.581304\n-1.014539 -0.300640 -2.337664\nLi Cu\n2 2\ndirect\n0.981585 0.005059 -0.024360 Li\n0.514656 0.727186 0.739540 Li\n0.010544 0.485751 0.487882 Cu\n0.485485 0.246574 0.227157 Cu\n",
"nsites": 4,
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"elements": [
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"density": 4.577052370901377,
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{
"id": "jvasp-118592",
"created_at": "2022-09-04T14:38:53.333829Z",
"updated_at": "2022-09-04T14:38:53.333857Z",
"structure_string": "La1 N2\n1.0\n4.031842 0.295713 0.586618\n-0.446637 -4.041837 0.326736\n-1.473942 1.530654 -3.066752\nLa N\n1 2\ndirect\n-0.124121 0.860027 0.070244 La\n0.282937 0.476582 0.095181 N\n0.468964 0.243697 0.045823 N\n",
"nsites": 3,
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"spacegroup": 12
},
{
"id": "jvasp-118825",
"created_at": "2022-09-04T14:38:53.046244Z",
"updated_at": "2022-09-04T14:38:53.046280Z",
"structure_string": "Zr1 Nb1 O4\n1.0\n5.217867 -1.620275 -0.511675\n5.217867 1.620275 -0.511675\n-2.532737 0.000000 5.026041\nZr Nb O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.499999 Nb\n0.890508 0.890508 0.227972 O\n0.608985 0.608985 0.279051 O\n0.391014 0.391014 0.720947 O\n0.109492 0.109492 0.772025 O\n",
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"volume": 80.78456297643183,
"volume_molar": 8.108266824652619,
"formula_full": "Zr1 Nb1 O4",
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"spacegroup": 12
},
{
"id": "jvasp-123719",
"created_at": "2022-09-04T14:38:53.082728Z",
"updated_at": "2022-09-04T14:38:53.082755Z",
"structure_string": "Tm1 Se2\n1.0\n2.128640 -3.579265 -0.579508\n2.035416 3.525441 -0.000000\n-0.705956 0.407584 5.861674\nTm Se\n1 2\ndirect\n0.000000 0.333359 0.166667 Tm\n0.770890 0.718766 0.426842 Se\n0.229110 -0.052125 0.906490 Se\n",
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{
"id": "jvasp-120534",
"created_at": "2022-09-04T14:38:53.051098Z",
"updated_at": "2022-09-04T14:38:53.051134Z",
"structure_string": "Er2 Mn3 Sb3 O14\n1.0\n6.238309 -0.021754 3.398148\n1.978289 5.916362 3.398148\n-0.023640 -0.016960 7.211651\nEr Mn Sb O\n2 3 3 14\ndirect\n0.500000 0.000000 0.500000 Er\n0.000000 0.500000 0.500000 Er\n0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.414885 0.833007 0.327696 O\n0.822955 0.433422 0.907778 O\n0.405195 0.405195 0.354722 O\n0.830509 0.830509 0.939732 O\n0.166993 0.585115 0.672304 O\n0.566579 0.177045 0.092222 O\n0.169491 0.169492 0.060268 O\n0.177045 0.566579 0.092222 O\n0.594805 0.594805 0.645278 O\n0.433422 0.822955 0.907778 O\n0.116695 0.116695 0.628871 O\n0.883305 0.883305 0.371129 O\n0.585115 0.166993 0.672304 O\n0.833007 0.414886 0.327696 O\n",
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],
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"density": 6.765198232933609,
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"formula_full": "Er2 Mn3 Sb3 O14",
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}