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"results": [
{
"id": "jvasp-48407",
"created_at": "2022-09-04T14:35:57.118167Z",
"updated_at": "2022-09-04T14:35:57.118192Z",
"structure_string": "Na12 Ni2 O8\n1.0\n5.349507 0.000018 -0.000043\n0.000014 7.447268 0.003940\n-0.000229 -0.003855 7.447121\nNa Ni O\n12 2 8\ndirect\n0.249993 0.539447 0.039451 Na\n0.750000 0.460735 0.960740 Na\n0.151084 0.750009 0.750011 Na\n0.651091 0.750008 0.750010 Na\n0.749996 0.460569 0.539446 Na\n0.749996 0.039279 0.539277 Na\n0.749997 0.039453 0.960569 Na\n0.249998 0.539274 0.460737 Na\n0.848919 0.250008 0.250006 Na\n0.348896 0.250009 0.250007 Na\n0.249992 0.960739 0.039281 Na\n0.249994 0.960574 0.460565 Na\n0.750009 0.750009 0.250006 Ni\n0.250008 0.250008 0.750010 Ni\n0.419247 0.497375 0.750093 O\n0.080761 0.250094 0.997384 O\n0.580752 0.997382 0.249928 O\n0.580753 0.502636 0.250087 O\n0.080760 0.249922 0.502636 O\n0.919251 0.749930 0.497374 O\n0.419246 0.002642 0.749925 O\n0.919250 0.750089 0.002639 O\n",
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{
"id": "jvasp-51700",
"created_at": "2022-09-04T14:38:20.595629Z",
"updated_at": "2022-09-04T14:38:20.595655Z",
"structure_string": "Rb2 P2 H4 O8\n1.0\n-3.780570 3.780570 3.633018\n3.780570 -3.780570 3.633018\n3.780570 3.780570 -3.633018\nRb P H O\n2 2 4 8\ndirect\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.750000 0.250000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.734301 0.125000 0.109301 H\n0.015699 0.625000 0.890699 H\n0.375000 0.265699 0.390699 H\n0.875000 0.984301 0.609301 H\n0.728279 0.281464 0.266724 O\n0.735261 0.968537 0.946817 O\n0.014739 0.461556 0.733276 O\n0.021721 0.788444 0.053183 O\n0.538444 0.271721 0.553183 O\n0.031463 0.978279 0.766724 O\n0.718537 0.985261 0.446817 O\n0.211556 0.264739 0.233276 O\n",
"nsites": 16,
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"formula_full": "Rb2 P2 H4 O8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 122
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{
"id": "jvasp-92641",
"created_at": "2022-09-04T14:35:57.826377Z",
"updated_at": "2022-09-04T14:35:57.826396Z",
"structure_string": "K2 Pd1 C2\n1.0\n-2.547602 -4.412019 -0.000071\n-2.547119 4.411740 0.000000\n-0.000081 -0.000047 -5.283689\nK Pd C\n2 1 2\ndirect\n0.333342 0.666671 0.283010 K\n0.666658 0.333328 0.716990 K\n0.000000 0.000000 0.000000 Pd\n-0.000015 -0.000008 0.380314 C\n0.000015 0.000007 0.619687 C\n",
"nsites": 5,
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"elements": [
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"volume": 118.76303668115679,
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"spacegroup": 164
},
{
"id": "jvasp-57476",
"created_at": "2022-09-04T14:37:12.760746Z",
"updated_at": "2022-09-04T14:37:12.760779Z",
"structure_string": "Cu2 C2 S2 N2\n1.0\n1.904891 -3.299369 0.000000\n1.904891 3.299369 -0.000000\n0.000000 0.000000 11.016318\nCu C S N\n2 2 2 2\ndirect\n0.666667 0.333333 0.501673 Cu\n0.333333 0.666667 0.001673 Cu\n0.333333 0.666667 0.280135 C\n0.666667 0.333333 0.780135 C\n0.666667 0.333333 0.930793 S\n0.333333 0.666667 0.430793 S\n0.666667 0.333333 0.673599 N\n0.333333 0.666667 0.173598 N\n",
"nsites": 8,
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"elements": [
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],
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"density_atomic": 0.0577726791478945,
"volume": 138.4737581499465,
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},
{
"id": "jvasp-113226",
"created_at": "2022-09-04T14:38:48.294703Z",
"updated_at": "2022-09-04T14:38:48.294735Z",
"structure_string": "Li4 Cr2 P4 H3 O16\n1.0\n4.867442 0.018344 0.150473\n1.838870 7.350657 0.069131\n-0.009702 -0.021248 8.196049\nLi Cr P H O\n4 2 4 3 16\ndirect\n0.119677 0.324919 0.346412 Li\n0.391840 0.151069 0.875489 Li\n0.598380 0.839511 0.119761 Li\n0.887819 0.680277 0.642184 Li\n0.006501 0.500903 0.994262 Cr\n0.494854 0.002428 0.496650 Cr\n0.631392 0.240823 0.152670 P\n0.879208 0.251358 0.668288 P\n0.112660 0.746625 0.328884 P\n0.374429 0.766148 0.842751 P\n0.965726 0.012137 0.009974 H\n0.444207 0.513648 0.428223 H\n0.536409 0.498645 0.654454 H\n0.655219 0.143477 0.691710 O\n0.855348 0.350456 0.173579 O\n0.716721 0.451354 0.592483 O\n0.626739 0.657399 0.941471 O\n0.480616 0.811938 0.671303 O\n0.757238 0.053406 0.060199 O\n0.351639 0.842970 0.308612 O\n0.991241 0.700329 0.169917 O\n0.517925 0.192578 0.319720 O\n0.389829 0.340907 0.044721 O\n0.236962 0.549063 0.416437 O\n0.166142 0.642645 0.814584 O\n0.006710 0.296061 0.825979 O\n0.103242 0.175454 0.535206 O\n0.246780 0.941602 0.940185 O\n0.883430 0.839961 0.453786 O\n",
"nsites": 29,
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"elements": [
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],
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"density_atomic": 0.09898249137899189,
"volume": 292.98110803215224,
"volume_molar": 6.084046457208231,
"formula_full": "Li4 Cr2 P4 H3 O16",
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"spacegroup": 1
},
{
"id": "jvasp-43535",
"created_at": "2022-09-04T14:35:43.415502Z",
"updated_at": "2022-09-04T14:35:43.415534Z",
"structure_string": "Na10 Co2 O8\n1.0\n5.889199 0.000000 0.000000\n0.000000 6.049138 0.000000\n0.000000 0.000000 7.603227\nNa Co O\n10 2 8\ndirect\n0.929812 0.065491 0.315735 Na\n0.247532 0.386286 0.199013 Na\n0.247532 0.386286 0.800988 Na\n0.429812 0.934509 0.184265 Na\n0.429812 0.934509 0.815735 Na\n0.249570 0.670344 0.500000 Na\n0.747532 0.613715 0.300987 Na\n0.747532 0.613715 0.699013 Na\n0.929812 0.065491 0.684265 Na\n0.749570 0.329657 0.000000 Na\n0.996171 0.823537 0.000000 Co\n0.496171 0.176464 0.500000 Co\n0.102980 0.729212 0.776804 O\n0.686087 0.745896 0.000000 O\n0.599567 0.871731 0.500000 O\n0.602980 0.270788 0.276804 O\n0.602980 0.270788 0.723196 O\n0.186087 0.254104 0.500000 O\n0.099567 0.128270 0.000000 O\n0.102980 0.729212 0.223196 O\n",
"nsites": 20,
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"density": 2.9166793675678715,
"density_atomic": 0.07383840670844172,
"volume": 270.86174921097614,
"volume_molar": 8.155837901241588,
"formula_full": "Na10 Co2 O8",
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"formula_anonymous": "AB4C5",
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"spacegroup": 31
},
{
"id": "jvasp-27065",
"created_at": "2022-09-04T14:37:58.706077Z",
"updated_at": "2022-09-04T14:37:58.706101Z",
"structure_string": "K6 Mn4 O16\n1.0\n0.000000 7.830516 0.017806\n5.735990 0.000000 0.000000\n0.000000 -3.607993 -9.012097\nK Mn O\n6 4 16\ndirect\n0.343063 0.250000 0.953479 K\n0.656938 0.750000 0.046521 K\n0.156930 0.250000 0.546524 K\n0.249918 0.750000 0.249917 K\n0.843070 0.750000 0.453476 K\n0.750082 0.250000 0.750083 K\n0.564773 0.250000 0.342612 Mn\n0.435228 0.750000 0.657388 Mn\n0.064834 0.750000 0.842582 Mn\n0.935167 0.250000 0.157418 Mn\n0.460273 0.517071 0.761318 O\n0.960234 0.482932 0.261349 O\n0.727295 0.250000 0.028445 O\n0.039767 0.982932 0.738651 O\n0.039767 0.517068 0.738651 O\n0.539727 0.017071 0.238682 O\n0.460273 0.982929 0.761318 O\n0.411277 0.250000 0.419315 O\n0.227379 0.750000 0.528390 O\n0.772622 0.250000 0.471610 O\n0.588724 0.750000 0.580685 O\n0.088617 0.250000 0.080665 O\n0.960234 0.017068 0.261349 O\n0.272706 0.750000 0.971555 O\n0.539727 0.482929 0.238682 O\n0.911384 0.750000 0.919335 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 2.916631971131825,
"density_atomic": 0.06429012504187004,
"volume": 404.41669670213054,
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"formula_full": "K6 Mn4 O16",
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"formula_anonymous": "A2B3C8",
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"spacegroup": 166
},
{
"id": "jvasp-57186",
"created_at": "2022-09-04T14:38:33.906206Z",
"updated_at": "2022-09-04T14:38:33.906220Z",
"structure_string": "Na2 Mg2 B2 O6\n1.0\n4.946574 0.000000 0.883802\n2.473287 4.429226 0.441901\n0.044496 0.000000 5.522599\nNa Mg B O\n2 2 2 6\ndirect\n0.334314 0.331374 0.250000 Na\n0.665686 0.668627 0.750000 Na\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.668069 0.663863 0.250000 B\n0.331931 0.336138 0.750000 B\n0.187178 0.181408 0.697929 O\n0.824427 0.351144 0.250000 O\n0.631414 0.181408 0.802071 O\n0.368586 0.818593 0.197929 O\n0.175573 0.648857 0.750000 O\n0.812822 0.818593 0.302071 O\n",
"nsites": 12,
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"elements": [
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],
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"density_atomic": 0.09931869987688542,
"volume": 120.82316839502624,
"volume_molar": 6.063451059533595,
"formula_full": "Na2 Mg2 B2 O6",
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"formula_anonymous": "ABCD3",
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"spacegroup": 15
},
{
"id": "jvasp-111933",
"created_at": "2022-09-04T14:38:42.785130Z",
"updated_at": "2022-09-04T14:38:42.785157Z",
"structure_string": "Mn2 C2 S2 O14\n1.0\n6.139445 0.000000 0.000000\n0.000000 5.012321 0.413574\n0.000000 0.252639 7.829315\nMn C S O\n2 2 2 14\ndirect\n0.250000 0.207394 0.693269 Mn\n0.750001 0.792606 0.306730 Mn\n0.250000 0.287933 0.980672 C\n0.750001 0.712067 0.019327 C\n0.750001 0.261194 0.583166 S\n0.250000 0.738806 0.416833 S\n0.750001 0.529133 0.159990 O\n0.061546 0.809557 0.303410 O\n0.438454 0.809557 0.303410 O\n0.750001 0.113108 0.432575 O\n0.250000 0.448105 0.476592 O\n0.750001 0.551895 0.523407 O\n0.938455 0.190443 0.696588 O\n0.561547 0.190443 0.696588 O\n0.750001 0.952584 0.079859 O\n0.250000 0.470867 0.840009 O\n0.250000 0.047416 0.920140 O\n0.750001 0.666705 0.871173 O\n0.250000 0.886892 0.567424 O\n0.250000 0.333295 0.128825 O\n",
"nsites": 20,
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"spacegroup": 11
},
{
"id": "jvasp-112187",
"created_at": "2022-09-04T14:38:46.296194Z",
"updated_at": "2022-09-04T14:38:46.296209Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.601788 -0.150949 -0.499597\n-2.044066 5.786708 -0.740957\n0.241452 -0.161513 9.417979\nSn H C Cl\n2 8 4 4\ndirect\n0.645061 0.775087 0.731977 Sn\n0.367439 0.264272 0.222201 Sn\n0.182199 0.330599 0.481020 H\n0.240376 0.900818 0.010743 H\n0.772173 0.138580 0.943414 H\n0.830293 0.708751 0.473156 H\n0.764321 0.449106 0.551677 H\n0.322580 0.167030 0.937012 H\n0.689961 0.872384 0.017163 H\n0.248174 0.590246 0.402499 H\n0.348353 0.464791 0.433822 C\n0.664140 0.574558 0.520354 C\n0.174289 0.052204 0.001247 C\n0.838251 -0.012809 0.952917 C\n0.844929 0.532264 0.150715 Cl\n0.637633 0.013725 0.303956 Cl\n0.374871 0.025634 0.650220 Cl\n0.167583 0.507119 0.803484 Cl\n",
"nsites": 18,
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"elements": [
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"Cl"
],
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"density": 2.9161183513067073,
"density_atomic": 0.07261087271807926,
"volume": 247.89675879378612,
"volume_molar": 8.293717641133043,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
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"spacegroup": 2
},
{
"id": "jvasp-48224",
"created_at": "2022-09-04T14:38:07.901895Z",
"updated_at": "2022-09-04T14:38:07.901926Z",
"structure_string": "Li2 Fe2 C4 O12\n1.0\n0.000000 4.534602 -0.501542\n7.935297 0.000000 0.000000\n0.000000 -1.446399 -5.625764\nLi Fe C O\n2 2 4 12\ndirect\n0.039732 0.948693 0.832467 Li\n0.960267 0.448692 0.167532 Li\n0.619758 0.985007 0.303389 Fe\n0.380240 0.485007 0.696610 Fe\n0.104866 0.759724 0.423358 C\n0.895133 0.259723 0.576641 C\n0.593608 0.737957 0.941593 C\n0.406391 0.237957 0.058406 C\n0.318954 0.736518 0.850629 O\n0.681045 0.236518 0.149370 O\n0.726259 0.877144 0.017600 O\n0.736566 0.599151 0.945590 O\n0.742195 0.392515 0.602629 O\n0.215800 0.608712 0.409997 O\n0.835815 0.776680 0.462376 O\n0.164184 0.276680 0.537624 O\n0.273741 0.377144 -0.017600 O\n0.257804 0.892515 0.397370 O\n0.784199 0.108712 0.590002 O\n0.263433 0.099151 0.054410 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "C-Fe-Li-O",
"density": 2.916103933695558,
"density_atomic": 0.09606577306146331,
"volume": 208.19069438189928,
"volume_molar": 6.268768332449693,
"formula_full": "Li2 Fe2 C4 O12",
"formula_reduced": "LiFe(CO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 4
},
{
"id": "jvasp-98974",
"created_at": "2022-09-04T14:36:22.539058Z",
"updated_at": "2022-09-04T14:36:22.539080Z",
"structure_string": "K12 Co2 Se8\n1.0\n10.121915 0.000000 -0.000000\n-5.060958 8.765836 0.000000\n0.000000 0.000000 7.821748\nK Co Se\n12 2 8\ndirect\n0.146416 0.853584 0.547690 K\n0.473356 0.526644 0.864979 K\n0.526643 0.053288 0.364979 K\n0.473356 0.946713 0.864979 K\n0.053288 0.526644 0.864979 K\n0.526643 0.473357 0.364979 K\n0.946712 0.473357 0.364979 K\n0.707167 0.853584 0.547690 K\n0.146416 0.292833 0.547690 K\n0.853583 0.707168 0.047690 K\n0.292833 0.146416 0.047690 K\n0.853583 0.146416 0.047690 K\n0.333333 0.666667 0.250372 Co\n0.666667 0.333333 0.750372 Co\n0.603348 0.801674 0.151339 Se\n0.333333 0.666667 0.567307 Se\n0.666667 0.333333 0.067307 Se\n0.198326 0.801674 0.151339 Se\n0.396652 0.198327 0.651339 Se\n0.801673 0.603348 0.651339 Se\n0.198326 0.396652 0.151339 Se\n0.801673 0.198327 0.651339 Se\n",
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"elements": [
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],
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"density": 2.916052397069623,
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"volume": 694.0006016042249,
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"formula_full": "K12 Co2 Se8",
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"spacegroup": 186
}
]
}