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"results": [
{
"id": "jvasp-55286",
"created_at": "2022-09-04T14:38:12.321566Z",
"updated_at": "2022-09-04T14:38:12.321585Z",
"structure_string": "Sr3 Cu6 Ge3 S12\n1.0\n3.087702 -5.348056 -0.000000\n3.087702 5.348056 0.000000\n-0.000000 0.000000 15.317464\nSr Cu Ge S\n3 6 3 12\ndirect\n0.778903 0.666658 0.917134 Sr\n0.333342 0.112245 0.583802 Sr\n0.887755 0.221096 0.250468 Sr\n0.674624 0.592184 0.162008 Cu\n0.258923 0.007986 0.338908 Cu\n0.749063 0.741076 0.672242 Cu\n0.407816 0.082440 0.828675 Cu\n0.917559 0.325375 0.495341 Cu\n0.992014 0.250936 0.005575 Cu\n0.333319 0.954037 0.083795 Ge\n0.620717 0.666680 0.417128 Ge\n0.045963 0.379282 0.750461 Ge\n0.828616 0.633069 0.532461 S\n0.097237 0.768164 0.748133 S\n0.231836 0.329073 0.414800 S\n0.670926 0.902762 0.081467 S\n0.434837 0.430572 0.752801 S\n0.569427 0.004264 0.419467 S\n0.995735 0.565162 0.086134 S\n0.299699 0.161921 0.968459 S\n0.838079 0.137778 0.635126 S\n0.366930 0.195546 0.199127 S\n0.804453 0.171383 0.865794 S\n0.862221 0.700300 0.301793 S\n",
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{
"id": "jvasp-43165",
"created_at": "2022-09-04T14:36:58.892235Z",
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"structure_string": "Li2 Mn1 V3 O8\n1.0\n5.923361 0.079085 0.055921\n3.030169 5.090239 0.055921\n3.030169 1.749469 4.780484\nLi Mn V O\n2 1 3 8\ndirect\n0.119764 0.119764 0.119764 Li\n0.502949 0.502948 0.502948 Li\n0.874303 0.874303 0.874301 Mn\n0.020203 0.490531 0.490530 V\n0.490531 0.020202 0.490530 V\n0.490531 0.490531 0.020202 V\n0.252848 0.252847 0.252847 O\n0.252708 0.252708 0.716865 O\n0.252708 0.716866 0.252707 O\n0.716866 0.252707 0.252707 O\n0.285470 0.751397 0.751396 O\n0.751398 0.285469 0.751396 O\n0.751397 0.751397 0.285469 O\n0.738332 0.738331 0.738330 O\n",
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"elements": [
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"density_atomic": 0.09868875697359555,
"volume": 141.86013107598203,
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"formula_full": "Li2 Mn1 V3 O8",
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"formula_anonymous": "AB2C3D8",
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{
"id": "jvasp-42489",
"created_at": "2022-09-04T14:38:32.028467Z",
"updated_at": "2022-09-04T14:38:32.028484Z",
"structure_string": "Mn6 O2 F10\n1.0\n-4.736059 4.736059 3.241860\n0.096690 4.807768 -3.205642\n-4.807768 -0.096690 -3.205642\nMn O F\n6 2 10\ndirect\n0.847730 0.678717 0.678717 Mn\n0.687805 0.334857 0.334857 Mn\n0.312196 0.665143 0.665143 Mn\n0.152271 0.321282 0.321282 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.966614 0.216414 0.216414 O\n0.033387 0.783586 0.783586 O\n0.663600 0.633985 0.036040 F\n0.336401 0.963960 0.366014 F\n0.375620 0.420832 0.420832 F\n0.706402 0.093386 0.093386 F\n0.663600 0.036040 0.633985 F\n0.293599 0.906614 0.906614 F\n0.336401 0.366014 0.963960 F\n0.000000 0.307091 0.692908 F\n0.624381 0.579168 0.579168 F\n0.000000 0.692908 0.307091 F\n",
"nsites": 18,
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"elements": [
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"density": 4.092372724955955,
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"volume": 223.82413479972936,
"volume_molar": 7.488335806939915,
"formula_full": "Mn6 O2 F10",
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},
{
"id": "jvasp-45242",
"created_at": "2022-09-04T14:38:04.495542Z",
"updated_at": "2022-09-04T14:38:04.495563Z",
"structure_string": "Li4 V4 O8\n1.0\n0.000000 4.090868 4.090868\n4.008845 -0.178484 4.269352\n4.008845 4.269352 -0.178484\nLi V O\n4 4 8\ndirect\n0.197103 0.052897 0.052897 Li\n0.000000 0.499999 0.000000 Li\n0.000000 0.000000 0.499999 Li\n0.802899 0.947102 0.947102 Li\n0.500001 0.499999 0.000000 V\n0.500001 0.499999 0.499999 V\n0.000001 0.499999 0.499999 V\n0.500001 0.000000 0.499999 V\n0.266473 0.244916 0.244916 O\n0.743697 0.244916 0.244916 O\n0.250118 0.281581 0.718183 O\n0.250118 0.718183 0.281581 O\n0.749884 0.718418 0.281816 O\n0.749884 0.281816 0.718418 O\n0.256305 0.755083 0.755083 O\n0.733529 0.755083 0.755083 O\n",
"nsites": 16,
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"elements": [
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"density_atomic": 0.10967470886403885,
"volume": 145.88595826440553,
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"formula_full": "Li4 V4 O8",
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"spacegroup": 74
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{
"id": "jvasp-21751",
"created_at": "2022-09-04T14:37:06.672880Z",
"updated_at": "2022-09-04T14:37:06.672898Z",
"structure_string": "Rb4 V4 Se8\n1.0\n5.602246 0.000000 1.314180\n2.801123 6.777531 0.657090\n0.003601 0.000000 12.582705\nRb V Se\n4 4 8\ndirect\n0.948592 0.750000 0.102817 Rb\n0.301408 0.750000 0.397183 Rb\n0.051408 0.250000 0.897183 Rb\n0.698592 0.250000 0.602816 Rb\n0.125000 0.750000 0.750000 V\n0.875001 0.250000 0.250000 V\n0.625000 0.750000 0.750000 V\n0.375000 0.250000 0.250000 V\n0.277922 0.050834 0.141678 Se\n0.970435 0.449166 0.358322 Se\n0.671245 0.050834 0.358322 Se\n0.580401 0.449166 0.141678 Se\n0.722078 0.949166 0.858322 Se\n0.029565 0.550834 0.641678 Se\n0.328755 0.949166 0.641678 Se\n0.419599 0.550834 0.858322 Se\n",
"nsites": 16,
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"density_atomic": 0.03349202732658544,
"volume": 477.7256343422201,
"volume_molar": 17.98081884168212,
"formula_full": "Rb4 V4 Se8",
"formula_reduced": "RbVSe2",
"formula_anonymous": "ABC2",
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"spacegroup": 70
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{
"id": "jvasp-79533",
"created_at": "2022-09-04T14:37:13.050483Z",
"updated_at": "2022-09-04T14:37:13.050509Z",
"structure_string": "Zn1 Si1 P2\n1.0\n-3.159515 -3.159515 0.000000\n-3.159515 0.000000 -3.159515\n-0.000000 -3.159515 -3.159515\nZn Si P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Si\n0.250000 0.250000 0.250000 P\n0.749999 0.749999 0.749999 P\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.091911947589436,
"density_atomic": 0.06341160286081993,
"volume": 63.079938363637815,
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"formula_full": "Zn1 Si1 P2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-66844",
"created_at": "2022-09-04T14:36:15.140988Z",
"updated_at": "2022-09-04T14:36:15.141015Z",
"structure_string": "Mg1 Be1 Ni1\n1.0\n-1.437661 1.437661 4.516731\n1.437661 -1.437661 4.516731\n1.437661 1.437661 -4.516731\nMg Be Ni\n1 1 1\ndirect\n0.329291 0.329291 0.000000 Mg\n0.037924 0.037924 0.000000 Be\n0.632785 0.632785 0.000000 Ni\n",
"nsites": 3,
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],
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"density": 4.091567067198658,
"density_atomic": 0.08033856198029185,
"volume": 37.34196786763424,
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"formula_full": "Mg1 Be1 Ni1",
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"spacegroup": 107
},
{
"id": "jvasp-56309",
"created_at": "2022-09-04T14:36:45.099424Z",
"updated_at": "2022-09-04T14:36:45.099459Z",
"structure_string": "Zr1 Al3\n1.0\n4.118848 -0.000000 0.000000\n0.000000 4.118848 0.000000\n-0.000000 -0.000000 4.118848\nZr Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n",
"nsites": 4,
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"elements": [
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"volume": 69.8758808750766,
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{
"id": "jvasp-109236",
"created_at": "2022-09-04T14:38:27.555941Z",
"updated_at": "2022-09-04T14:38:27.555961Z",
"structure_string": "K2 Hg1 Sb1 F6\n1.0\n5.767211 -0.000000 3.329701\n1.922404 5.437378 3.329701\n-0.000000 -0.000000 6.659401\nK Hg Sb F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n0.773274 0.226726 0.226726 F\n0.226725 0.226726 0.773274 F\n0.226725 0.773275 0.773274 F\n0.226725 0.773275 0.226726 F\n0.773274 0.226726 0.773274 F\n0.773274 0.773275 0.226726 F\n",
"nsites": 10,
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"density": 4.091430611500497,
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{
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"created_at": "2022-09-04T14:35:52.137358Z",
"updated_at": "2022-09-04T14:35:52.137383Z",
"structure_string": "Na2 Be1 Bi1\n1.0\n3.693273 0.000000 0.000000\n0.000000 3.693273 -0.000000\n-0.000000 0.000000 7.854589\nNa Be Bi\n2 1 1\ndirect\n0.000000 -0.000000 0.964699 Na\n0.500000 0.500000 0.292516 Na\n0.000000 -0.000000 0.556661 Be\n0.500000 0.500000 0.686125 Bi\n",
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},
{
"id": "jvasp-110205",
"created_at": "2022-09-04T14:38:20.161339Z",
"updated_at": "2022-09-04T14:38:20.161349Z",
"structure_string": "Na1 Nb2 S4\n1.0\n3.405965 0.000000 0.000000\n-1.702983 2.949652 0.000000\n0.000000 0.000000 13.617324\nNa Nb S\n1 2 4\ndirect\n0.333334 0.666666 0.000959 Na\n0.000000 0.000000 0.264272 Nb\n0.333334 0.666666 0.735397 Nb\n0.666668 0.333333 0.147108 S\n0.666668 0.333333 0.852771 S\n0.666668 0.333333 0.623398 S\n0.666668 0.333333 0.376292 S\n",
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"volume": 136.8052400812267,
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"spacegroup": 156
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{
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"created_at": "2022-09-04T14:38:28.676340Z",
"updated_at": "2022-09-04T14:38:28.676358Z",
"structure_string": "Mg1 In1 Br1\n1.0\n5.519135 0.000000 -0.000000\n-2.759568 4.779711 0.000000\n-0.000000 0.000000 3.370062\nMg In Br\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Mg\n0.333334 0.666666 0.000000 In\n0.000000 0.000000 0.000000 Br\n",
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}
]
}