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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=287",
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{
"id": "jvasp-29797",
"created_at": "2022-09-04T14:37:15.096631Z",
"updated_at": "2022-09-04T14:37:15.096653Z",
"structure_string": "V2 H3 O5\n1.0\n6.011381 1.482179 -0.870841\n-6.011381 1.482179 0.870841\n0.001494 0.000000 4.821835\nV H O\n2 3 5\ndirect\n0.864323 0.135678 0.608452 V\n0.128756 0.871244 0.373536 V\n0.479063 0.520938 0.979671 H\n0.664007 0.335993 0.843503 H\n0.333487 0.666514 0.153579 H\n-0.001823 0.001823 0.494125 O\n0.397119 0.602882 0.891661 O\n0.607524 0.392476 0.118667 O\n0.695807 0.304193 0.656846 O\n0.301768 0.698232 0.339072 O\n",
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"formula_full": "V2 H3 O5",
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{
"id": "jvasp-79451",
"created_at": "2022-09-04T14:37:15.186511Z",
"updated_at": "2022-09-04T14:37:15.186532Z",
"structure_string": "Mn1 H1 O2\n1.0\n-0.700421 2.376961 -1.508519\n-2.131023 -2.381137 0.027000\n-0.712039 2.386217 4.092631\nMn H O\n1 1 2\ndirect\n0.075216 0.053229 0.019451 Mn\n0.581306 0.065530 0.554514 H\n0.651699 0.206370 0.782373 O\n0.487007 0.876673 0.228447 O\n",
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{
"id": "jvasp-11023",
"created_at": "2022-09-04T14:37:15.707988Z",
"updated_at": "2022-09-04T14:37:15.708003Z",
"structure_string": "Mg1 Ni4 O8\n1.0\n2.899816 0.000082 0.000020\n-1.449458 6.614416 0.009329\n-1.449741 -0.680487 6.806052\nMg Ni O\n1 4 8\ndirect\n0.531739 0.887308 0.176283 Mg\n0.194044 0.827155 0.561063 Ni\n0.350623 0.495380 0.206004 Ni\n0.675118 0.509937 0.840446 Ni\n0.847887 0.197484 0.498401 Ni\n0.476548 0.344743 0.608494 O\n0.223064 0.674249 0.772052 O\n0.807248 0.338886 0.275716 O\n0.559140 0.698542 0.419825 O\n0.832854 0.990346 0.675542 O\n0.883103 0.674705 0.091635 O\n0.189320 0.020812 0.357954 O\n0.155725 0.364343 0.947229 O\n",
"nsites": 13,
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"elements": [
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"density": 4.922900234157075,
"density_atomic": 0.0995683965644506,
"volume": 130.56351662332037,
"volume_molar": 6.048245194047962,
"formula_full": "Mg1 Ni4 O8",
"formula_reduced": "Mg(NiO2)4",
"formula_anonymous": "AB4C8",
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"spacegroup": 8
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{
"id": "jvasp-51368",
"created_at": "2022-09-04T14:37:16.154836Z",
"updated_at": "2022-09-04T14:37:16.154858Z",
"structure_string": "Sc1 Mo3 O8\n1.0\n4.844790 0.001342 0.033559\n-0.023091 5.739839 -0.004013\n-0.012225 -2.833610 4.991807\nSc Mo O\n1 3 8\ndirect\n0.264942 0.675527 0.324830 Sc\n0.743361 0.691250 0.837050 Mo\n0.747376 0.148012 0.852347 Mo\n0.743373 0.163287 0.309096 Mo\n0.530418 0.007848 0.507586 O\n0.951694 0.332333 0.668015 O\n-0.004613 0.832396 0.664610 O\n0.975875 0.835891 0.164440 O\n0.530389 0.492750 0.992480 O\n0.460483 0.986821 0.013539 O\n0.995380 0.335754 0.167969 O\n0.522219 0.500214 0.500128 O\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Mo-O-Sc",
"density": 5.513908491075859,
"density_atomic": 0.08647816380249067,
"volume": 138.7633533409319,
"volume_molar": 6.963770384572569,
"formula_full": "Sc1 Mo3 O8",
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{
"id": "jvasp-78503",
"created_at": "2022-09-04T14:37:16.450902Z",
"updated_at": "2022-09-04T14:37:16.450911Z",
"structure_string": "Co1 O2\n1.0\n-2.743824 0.002152 -0.000848\n-1.369988 -2.357779 -0.000272\n-1.370335 0.000744 4.652247\nCo O\n1 2\ndirect\n0.018566 0.002770 0.000004 Co\n0.434661 0.351095 0.759041 O\n0.194373 0.350938 0.240957 O\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.09962348736591244,
"volume": 30.11338068282171,
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"formula_full": "Co1 O2",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
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"spacegroup": 8
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{
"id": "jvasp-11031",
"created_at": "2022-09-04T14:37:16.912841Z",
"updated_at": "2022-09-04T14:37:16.912859Z",
"structure_string": "Ca2 Fe4 O8\n1.0\n2.926509 0.001814 0.002209\n1.458984 6.866941 -0.145194\n1.455620 2.486637 7.791117\nCa Fe O\n2 4 8\ndirect\n0.381097 0.086793 0.150834 Ca\n0.612913 0.947338 0.826790 Ca\n0.587353 0.625218 0.199985 Fe\n0.159711 0.216916 0.463563 Fe\n0.842695 0.801743 0.512764 Fe\n0.406351 0.402947 0.784224 Fe\n0.839169 0.589022 0.732535 O\n0.438419 0.752135 0.370912 O\n0.562529 0.289539 0.585328 O\n0.149406 0.432014 0.269056 O\n0.066338 0.807692 0.059567 O\n0.769978 0.104757 0.355140 O\n0.933643 0.223844 0.908714 O\n0.217157 0.945657 0.619929 O\n",
"nsites": 14,
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"elements": [
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"Fe",
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],
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"density": 4.546991021553266,
"density_atomic": 0.08883637606272254,
"volume": 157.59310116517315,
"volume_molar": 6.778913128725663,
"formula_full": "Ca2 Fe4 O8",
"formula_reduced": "Ca(FeO2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 8
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{
"id": "jvasp-11352",
"created_at": "2022-09-04T14:37:17.143493Z",
"updated_at": "2022-09-04T14:37:17.143502Z",
"structure_string": "Ca1 V4 O8\n1.0\n2.972146 0.000088 0.000160\n1.486190 6.573391 -0.281585\n1.485675 0.235487 7.153076\nCa V O\n1 4 8\ndirect\n0.439449 0.054915 0.066045 Ca\n0.638309 0.558753 0.164497 V\n0.150095 0.226398 0.473304 V\n0.818928 0.839105 0.522910 V\n0.334198 0.506773 0.824714 V\n0.815115 0.653958 0.715673 O\n0.448882 0.723750 0.378355 O\n0.527346 0.340412 0.604738 O\n0.165631 0.401517 0.267109 O\n0.119091 0.721592 0.040072 O\n0.801676 0.069508 0.327028 O\n0.852474 0.340852 0.954096 O\n0.184569 0.993118 0.637574 O\n",
"nsites": 13,
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"elements": [
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"density": 4.412121749821734,
"density_atomic": 0.09289376619766289,
"volume": 139.94480504039535,
"volume_molar": 6.482825496800141,
"formula_full": "Ca1 V4 O8",
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"formula_anonymous": "AB4C8",
"energy_above_hull": 3.227654247692308,
"spacegroup": 8
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{
"id": "jvasp-9787",
"created_at": "2022-09-04T14:37:17.234323Z",
"updated_at": "2022-09-04T14:37:17.234340Z",
"structure_string": "Ca4 Sm1 B3 O10\n1.0\n3.562970 -0.004888 0.315843\n1.266981 7.141531 3.664223\n-0.007481 0.002837 9.007595\nCa Sm B O\n4 1 3 10\ndirect\n0.669627 0.528705 0.225815 Ca\n0.340502 0.083530 0.365157 Ca\n0.340502 0.448688 0.634843 Ca\n0.669627 0.754521 0.774185 Ca\n0.000292 0.000078 -0.000000 Sm\n0.914329 0.757916 0.388890 B\n0.296686 0.376923 -0.000000 B\n0.914329 0.146807 0.611110 B\n0.916738 0.947678 0.286988 O\n0.916739 0.234666 0.713012 O\n0.246772 0.537533 0.850386 O\n0.718379 0.700711 0.537798 O\n0.112413 0.966989 0.657449 O\n0.112413 0.624438 0.342551 O\n0.246772 0.387918 0.149614 O\n0.397031 0.203170 -0.000000 O\n0.580395 0.823316 -0.000000 O\n0.718379 0.238511 0.462201 O\n",
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],
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"density": 3.6443519842703513,
"density_atomic": 0.07852180414694179,
"volume": 229.23569059003913,
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"formula_full": "Ca4 Sm1 B3 O10",
"formula_reduced": "Ca4SmB3O10",
"formula_anonymous": "AB3C4D10",
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"spacegroup": 8
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{
"id": "jvasp-79748",
"created_at": "2022-09-04T14:37:17.368627Z",
"updated_at": "2022-09-04T14:37:17.368646Z",
"structure_string": "Li1 Ni1 O2\n1.0\n2.986505 0.092534 -0.058012\n-1.410236 2.445850 -0.001121\n-0.105755 -0.062804 4.962164\nLi Ni O\n1 1 2\ndirect\n0.672306 0.336551 0.403006 Li\n0.010222 0.004980 0.970561 Ni\n0.299485 0.649874 0.198490 O\n0.684483 0.341899 0.778744 O\n",
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"elements": [
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"density_atomic": 0.10847888511178715,
"volume": 36.87353530484769,
"volume_molar": 5.551440498115558,
"formula_full": "Li1 Ni1 O2",
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"spacegroup": 8
},
{
"id": "jvasp-11614",
"created_at": "2022-09-04T14:37:18.050795Z",
"updated_at": "2022-09-04T14:37:18.050823Z",
"structure_string": "Ti1 Zn1 Bi2 O6\n1.0\n5.398183 -0.028086 0.016817\n-0.027209 5.392722 -0.048774\n-2.666197 -2.726693 4.782102\nTi Zn Bi O\n1 1 2 6\ndirect\n0.215672 0.188729 0.400315 Ti\n0.714899 0.727890 0.444781 Zn\n-0.013138 0.459768 -0.008003 Bi\n0.529500 0.994577 0.994159 Bi\n0.869004 0.969390 0.843499 O\n0.419915 0.372190 0.775068 O\n0.380689 0.888782 0.268720 O\n0.381400 0.388631 0.276554 O\n0.900253 0.400414 0.300281 O\n0.890791 0.898713 0.282710 O\n",
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"elements": [
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],
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"density": 7.507762273010029,
"density_atomic": 0.072082921019341,
"volume": 138.72911722482556,
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"formula_full": "Ti1 Zn1 Bi2 O6",
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{
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"created_at": "2022-09-04T14:37:18.133316Z",
"updated_at": "2022-09-04T14:37:18.133334Z",
"structure_string": "Ag3 P11\n1.0\n6.038661 0.009124 2.785980\n1.754783 6.358517 3.770995\n-0.001264 0.012239 7.598042\nAg P\n3 11\ndirect\n0.017859 0.707295 0.707293 Ag\n0.804041 0.409930 0.409930 Ag\n-0.005695 0.006200 0.006200 Ag\n0.044574 0.190103 0.190102 P\n0.051073 0.507692 0.507691 P\n0.731210 0.917346 0.917346 P\n0.531767 0.733341 0.225053 P\n0.531767 0.225054 0.733340 P\n0.508805 0.387603 0.085187 P\n0.508805 0.085186 0.387603 P\n0.272407 0.393214 0.942194 P\n0.272406 0.942195 0.393213 P\n0.265690 0.650898 0.187942 P\n0.265691 0.187942 0.650898 P\n",
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},
{
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"created_at": "2022-09-04T14:37:18.068251Z",
"updated_at": "2022-09-04T14:37:18.068265Z",
"structure_string": "Sr2 Ti6 N2 O11\n1.0\n3.849566 -0.002357 -0.000044\n-1.920324 7.512245 0.004905\n-0.000754 -1.496625 9.197391\nSr Ti N O\n2 6 2 11\ndirect\n0.459619 0.916426 0.211459 Sr\n0.553515 0.104223 0.753366 Sr\n0.878354 0.753872 0.900003 Ti\n0.835562 0.668319 0.571837 Ti\n0.768756 0.534729 0.237503 Ti\n0.237550 0.472305 0.768372 Ti\n0.165726 0.328659 0.433542 Ti\n0.123442 0.244110 0.078896 Ti\n0.767533 0.532269 0.751977 N\n0.159822 0.316876 0.902219 N\n0.127937 0.253079 0.612328 O\n0.637636 0.272493 0.124326 O\n0.702378 0.401957 0.429114 O\n0.240644 0.478499 0.244753 O\n0.938956 0.875101 0.711006 O\n0.367410 0.732007 0.897056 O\n0.835529 0.668236 0.091746 O\n0.873485 0.744212 0.382347 O\n0.063717 0.124624 0.307069 O\n0.306000 0.609200 0.566251 O\n-0.000868 0.995476 0.012988 O\n",
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"elements": [
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],
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"density_atomic": 0.0789578237620847,
"volume": 265.9647771356654,
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"formula_full": "Sr2 Ti6 N2 O11",
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}
]
}