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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4025",
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"results": [
{
"id": "jvasp-46700",
"created_at": "2022-09-04T14:38:05.001614Z",
"updated_at": "2022-09-04T14:38:05.001627Z",
"structure_string": "Li12 Mn2 O4 F8\n1.0\n5.541933 0.055978 -0.019391\n-2.261672 -6.597883 0.002325\n-0.030842 0.007708 -8.250604\nLi Mn O F\n12 2 4 8\ndirect\n0.978475 0.006736 0.346201 Li\n0.587314 0.178625 0.159412 Li\n0.307324 0.329004 0.297214 Li\n0.693479 0.170773 0.796266 Li\n0.587961 0.678509 0.339629 Li\n0.020529 0.494013 0.846201 Li\n-0.020529 0.505986 0.153799 Li\n0.412039 0.321490 0.660371 Li\n0.306521 0.829226 0.203734 Li\n0.692676 0.670995 0.702786 Li\n0.412685 0.821374 0.840587 Li\n0.021525 0.993263 0.653799 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.227544 0.076358 0.182008 O\n0.771907 0.423878 0.681663 O\n0.228093 0.576121 0.318337 O\n0.772456 0.923641 0.817992 O\n0.668507 0.438436 0.273647 F\n0.853174 0.292723 0.004025 F\n0.853226 0.792818 0.495413 F\n0.667933 0.938582 0.225870 F\n0.332067 0.061416 0.774130 F\n0.146774 0.207181 0.504587 F\n0.146826 0.707276 -0.004025 F\n0.331492 0.561563 0.726353 F\n",
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],
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"density_atomic": 0.08648126005148234,
"volume": 300.64316806348785,
"volume_molar": 6.963521063887156,
"formula_full": "Li12 Mn2 O4 F8",
"formula_reduced": "Li6Mn(OF2)2",
"formula_anonymous": "AB2C4D6",
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{
"id": "jvasp-35264",
"created_at": "2022-09-04T14:38:05.084123Z",
"updated_at": "2022-09-04T14:38:05.084136Z",
"structure_string": "Na8 Zn4 Se8\n1.0\n0.000000 7.172996 0.014435\n7.373204 0.000000 0.000000\n0.000000 -0.483773 -9.114575\nNa Zn Se\n8 4 8\ndirect\n0.539996 0.684064 0.676740 Na\n0.960005 0.184065 0.323261 Na\n0.460005 0.315935 0.323261 Na\n0.039996 0.815935 0.676740 Na\n0.512210 0.765013 0.058480 Na\n0.987792 0.265013 0.941522 Na\n0.487792 0.234986 0.941521 Na\n0.012209 0.734986 0.058480 Na\n0.342341 0.906792 0.371674 Zn\n0.157660 0.406793 0.628327 Zn\n0.657660 0.093207 0.628327 Zn\n0.842341 0.593207 0.371674 Zn\n0.299886 0.101732 0.599235 Se\n0.200114 0.601731 0.400766 Se\n0.700115 0.898268 0.400766 Se\n0.799887 0.398268 0.599235 Se\n0.244544 0.046500 0.140631 Se\n0.255457 0.546499 0.859370 Se\n0.755458 0.953500 0.859370 Se\n0.744544 0.453500 0.140631 Se\n",
"nsites": 20,
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"elements": [
"Na",
"Zn",
"Se"
],
"chemical_system": "Na-Se-Zn",
"density": 3.7111827497804484,
"density_atomic": 0.04149379190219381,
"volume": 481.9998145058077,
"volume_molar": 14.51335364623932,
"formula_full": "Na8 Zn4 Se8",
"formula_reduced": "Na2ZnSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.017898269333333,
"spacegroup": 14
},
{
"id": "jvasp-30093",
"created_at": "2022-09-04T14:38:05.139422Z",
"updated_at": "2022-09-04T14:38:05.139450Z",
"structure_string": "Al2 H8 Se4 O16\n1.0\n7.299329 0.000000 -1.890385\n0.000000 6.276744 0.000000\n0.135926 0.000000 7.227736\nAl H Se O\n2 8 4 16\ndirect\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.726068 0.757631 0.903764 H\n0.226068 0.742368 0.403764 H\n0.273932 0.242369 0.096237 H\n0.773933 0.257631 0.596238 H\n0.953038 0.229764 0.771513 H\n0.453037 0.270236 0.271512 H\n0.046963 0.770236 0.228489 H\n0.546963 0.729763 0.728489 H\n0.397205 0.187780 0.639546 Se\n0.897205 0.312220 0.139546 Se\n0.102796 0.687780 0.860456 Se\n0.602795 0.812219 0.360456 Se\n0.644318 0.589960 0.235610 O\n0.302169 0.674559 0.032501 O\n0.802169 0.825440 0.532502 O\n0.855682 0.089960 0.264391 O\n0.355682 0.410039 0.764391 O\n0.144318 0.910039 0.735610 O\n0.909242 0.233039 0.629425 O\n0.046327 0.231358 0.009394 O\n0.090758 0.766960 0.370577 O\n0.590758 0.733039 0.870577 O\n0.453673 0.731357 0.490607 O\n0.953673 0.768642 0.990608 O\n0.546328 0.268642 0.509394 O\n0.197832 0.174559 0.467500 O\n0.409242 0.266961 0.129424 O\n0.697832 0.325440 0.967500 O\n",
"nsites": 30,
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"elements": [
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"H",
"Se",
"O"
],
"chemical_system": "Al-H-O-Se",
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"density_atomic": 0.09015535974535094,
"volume": 332.75891843520725,
"volume_molar": 6.6797368198739235,
"formula_full": "Al2 H8 Se4 O16",
"formula_reduced": "AlH4(SeO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.737497835555556,
"spacegroup": 14
},
{
"id": "jvasp-30754",
"created_at": "2022-09-04T14:38:05.092588Z",
"updated_at": "2022-09-04T14:38:05.092616Z",
"structure_string": "Ti4 Zn4 Ge8 O24\n1.0\n5.114001 0.000000 -1.539493\n0.000000 8.524215 0.000000\n-0.101285 0.000000 12.001818\nTi Zn Ge O\n4 4 8 24\ndirect\n0.935035 0.656466 0.284087 Ti\n0.564964 0.156466 0.715913 Ti\n0.064964 0.343534 0.715913 Ti\n0.435035 0.843534 0.284087 Ti\n0.403827 0.451522 0.236818 Zn\n0.096172 0.951523 0.763183 Zn\n0.596172 0.548478 0.763183 Zn\n0.903827 0.048478 0.236818 Zn\n0.713425 0.154097 0.462476 Ge\n0.786574 0.654097 0.537524 Ge\n0.213425 0.345903 0.462476 Ge\n0.286574 0.845903 0.537524 Ge\n0.232788 0.635104 0.932224 Ge\n0.732788 0.864897 0.932224 Ge\n0.767211 0.364896 0.067777 Ge\n0.267211 0.135104 0.067776 Ge\n0.232212 0.004719 0.198581 O\n0.159332 0.839097 0.384473 O\n0.340667 0.339097 0.615527 O\n0.294590 0.162765 0.785979 O\n0.205409 0.662765 0.214021 O\n0.705409 0.837236 0.214021 O\n0.794590 0.337235 0.785979 O\n0.732212 0.495281 0.198581 O\n0.767787 0.995282 0.801419 O\n0.267787 0.504719 0.801419 O\n0.133943 0.537352 0.416897 O\n0.963199 0.202939 0.393407 O\n0.866056 0.462649 0.583103 O\n0.633943 0.962649 0.416897 O\n0.634335 0.186610 0.138402 O\n0.865664 0.686610 0.861599 O\n0.365664 0.813391 0.861599 O\n0.134335 0.313390 0.138402 O\n0.659331 0.660903 0.384473 O\n0.536800 0.702939 0.606593 O\n0.036800 0.797062 0.606593 O\n0.463199 0.297061 0.393407 O\n0.366056 0.037351 0.583103 O\n0.840667 0.160903 0.615527 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"Ge",
"O"
],
"chemical_system": "Ge-O-Ti-Zn",
"density": 4.512653586951718,
"density_atomic": 0.07664828981875042,
"volume": 521.8642202531546,
"volume_molar": 7.85684947993035,
"formula_full": "Ti4 Zn4 Ge8 O24",
"formula_reduced": "TiZn(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.9900271633333333,
"spacegroup": 14
},
{
"id": "jvasp-20928",
"created_at": "2022-09-04T14:38:05.178721Z",
"updated_at": "2022-09-04T14:38:05.178736Z",
"structure_string": "Sm4 P4 O16\n1.0\n0.000000 6.393439 0.018779\n6.917508 0.000000 0.000000\n0.000000 -4.760187 -6.530681\nSm P O\n4 4 16\ndirect\n0.183376 0.655223 0.781178 Sm\n0.816623 0.155223 0.718822 Sm\n0.816623 0.344777 0.218822 Sm\n0.183376 0.844777 0.281178 Sm\n0.688401 0.661245 0.801904 P\n0.311598 0.161245 0.698095 P\n0.311598 0.338755 0.198095 P\n0.688401 0.838755 0.301904 P\n0.119641 0.164793 0.117145 O\n0.880359 0.664793 0.382855 O\n0.812500 0.502958 0.750252 O\n0.187499 0.002958 0.749748 O\n0.187500 0.497042 0.249748 O\n0.812500 0.997042 0.250252 O\n0.659393 0.897584 0.472324 O\n0.407727 0.789804 0.120753 O\n0.340607 0.102417 0.527676 O\n0.659392 0.602417 0.972324 O\n0.119641 0.335207 0.617145 O\n0.592273 0.289804 0.379247 O\n0.592273 0.210196 0.879247 O\n0.407727 0.710197 0.620752 O\n0.340607 0.397584 0.027676 O\n0.880359 0.835207 0.882855 O\n",
"nsites": 24,
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"elements": [
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"P",
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],
"chemical_system": "O-P-Sm",
"density": 5.653928149320108,
"density_atomic": 0.08327207144571717,
"volume": 288.2118768433058,
"volume_molar": 7.2318853793923825,
"formula_full": "Sm4 P4 O16",
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"spacegroup": 14
},
{
"id": "jvasp-27535",
"created_at": "2022-09-04T14:38:05.260915Z",
"updated_at": "2022-09-04T14:38:05.260934Z",
"structure_string": "Cd4 S4 O12\n1.0\n0.000000 4.478879 0.096286\n8.761206 0.000000 0.000000\n0.000000 -0.287057 -7.234933\nCd S O\n4 4 12\ndirect\n0.766704 0.707038 0.516109 Cd\n0.233295 0.207038 0.983890 Cd\n0.233295 0.292963 0.483890 Cd\n0.766704 0.792963 0.016109 Cd\n0.261123 0.575227 0.790220 S\n0.738877 0.075227 0.709779 S\n0.738877 0.424774 0.209779 S\n0.261123 0.924774 0.290221 S\n0.711389 0.367484 0.412032 O\n0.288610 0.867484 0.087967 O\n0.926510 0.896063 0.315391 O\n0.073490 0.396063 0.184608 O\n0.073489 0.103937 0.684608 O\n0.292534 0.400422 0.769831 O\n0.707465 0.599579 0.230168 O\n0.292534 0.099579 0.269831 O\n0.711389 0.132516 0.912032 O\n0.707465 0.900422 0.730168 O\n0.926510 0.603938 0.815391 O\n0.288610 0.632517 0.587967 O\n",
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"elements": [
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],
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"density": 4.506967947313849,
"density_atomic": 0.07050710014358241,
"volume": 283.65937557028303,
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"formula_full": "Cd4 S4 O12",
"formula_reduced": "CdSO3",
"formula_anonymous": "ABC3",
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"spacegroup": 14
},
{
"id": "jvasp-30139",
"created_at": "2022-09-04T14:38:05.266836Z",
"updated_at": "2022-09-04T14:38:05.266866Z",
"structure_string": "In4 H20 N8 F8\n1.0\n7.737236 0.000000 -0.793518\n0.000000 5.410786 0.000000\n-0.055156 0.000000 8.666691\nIn H N F\n4 20 8 8\ndirect\n0.639428 0.572631 0.354633 In\n0.139427 0.927370 0.854633 In\n0.360573 0.427370 0.645367 In\n0.860573 0.072631 0.145367 In\n0.110185 0.363437 0.337681 H\n0.610185 0.136563 0.837681 H\n0.889815 0.636564 0.662319 H\n0.389815 0.863437 0.162319 H\n0.691523 0.247218 0.679182 H\n0.808477 0.747218 0.820817 H\n0.308477 0.752783 0.320817 H\n0.062529 0.495927 0.166341 H\n0.562530 0.004073 0.666341 H\n0.191523 0.252782 0.179183 H\n0.437471 0.995928 0.333659 H\n0.683420 0.495677 0.063381 H\n0.183420 0.004323 0.563381 H\n0.316580 0.504323 0.936619 H\n0.816580 0.995678 0.436618 H\n0.542782 0.281968 0.103805 H\n0.042781 0.218032 0.603805 H\n0.457218 0.718032 0.896195 H\n0.957219 0.781969 0.396195 H\n0.937471 0.504073 0.833658 H\n0.083407 0.326721 0.221150 N\n0.583407 0.173280 0.721150 N\n0.916593 0.673280 0.778849 N\n0.416593 0.826721 0.278850 N\n0.161019 0.140312 0.642570 N\n0.338981 0.640312 0.857429 N\n0.838981 0.859689 0.357429 N\n0.661019 0.359689 0.142570 N\n0.184463 0.655973 0.498018 F\n0.561004 0.694157 0.585592 F\n0.061004 0.805844 0.085592 F\n0.438997 0.305844 0.414407 F\n0.938997 0.194156 0.914407 F\n0.815537 0.344028 0.501982 F\n0.315537 0.155972 0.001982 F\n0.684463 0.844029 0.998018 F\n",
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"elements": [
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],
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"density_atomic": 0.11031740355338118,
"volume": 362.5901146290532,
"volume_molar": 5.458921771201734,
"formula_full": "In4 H20 N8 F8",
"formula_reduced": "InH5(NF)2",
"formula_anonymous": "AB2C2D5",
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},
{
"id": "jvasp-25596",
"created_at": "2022-09-04T14:38:05.303243Z",
"updated_at": "2022-09-04T14:38:05.303270Z",
"structure_string": "K8 Na4 Te2 O12\n1.0\n0.000000 6.713027 0.036387\n9.896979 0.000000 0.000000\n0.000000 -3.970182 -6.139303\nK Na Te O\n8 4 2 12\ndirect\n0.683294 0.516624 0.928550 K\n0.497732 0.677049 0.483343 K\n0.316706 0.016624 0.571449 K\n0.502268 0.322951 0.516656 K\n0.497732 0.822951 0.983343 K\n0.683294 0.983376 0.428550 K\n0.502268 0.177049 0.016657 K\n0.316706 0.483376 0.071449 K\n0.015797 0.738631 0.795897 Na\n0.984203 0.261369 0.204102 Na\n0.984203 0.238631 0.704102 Na\n0.015797 0.761369 0.295897 Na\n-0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.222391 0.845961 0.156615 O\n0.743760 0.870159 0.798045 O\n0.743760 0.629842 0.298045 O\n0.112622 0.008028 0.798367 O\n0.112622 0.491972 0.298367 O\n0.222391 0.654039 0.656614 O\n0.887378 0.991972 0.201632 O\n0.256240 0.370159 0.701954 O\n0.777609 0.154039 0.843385 O\n0.777609 0.345961 0.343385 O\n0.887378 0.508028 0.701632 O\n0.256240 0.129842 0.201954 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 3.480503731293536,
"density_atomic": 0.06396732989331264,
"volume": 406.4574845216125,
"volume_molar": 9.41440071055643,
"formula_full": "K8 Na4 Te2 O12",
"formula_reduced": "K4Na2TeO6",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 0.8443260589743591,
"spacegroup": 14
},
{
"id": "jvasp-21259",
"created_at": "2022-09-04T14:38:05.666924Z",
"updated_at": "2022-09-04T14:38:05.666943Z",
"structure_string": "Li12 B4 N8\n1.0\n0.000000 5.115285 0.005787\n7.050604 0.000000 0.000000\n0.000000 -2.615302 -6.183158\nLi B N\n12 4 8\ndirect\n0.249893 0.515503 0.499084 Li\n0.257656 0.207733 0.686586 Li\n0.257656 0.292267 0.186585 Li\n0.742345 0.792267 0.313414 Li\n0.251901 0.512027 0.875160 Li\n0.748101 0.012027 0.624840 Li\n0.742345 0.707732 0.813415 Li\n0.251901 0.987973 0.375160 Li\n0.249894 0.984496 0.999084 Li\n0.750108 0.484496 0.500916 Li\n0.750108 0.015503 0.000915 Li\n0.748100 0.487973 0.124840 Li\n0.785256 0.319615 0.823855 B\n0.214746 0.819615 0.676145 B\n0.214746 0.680385 0.176145 B\n0.785255 0.180385 0.323855 B\n0.006656 0.203033 0.865388 N\n0.434836 0.561498 0.218193 N\n0.565165 0.061498 0.281806 N\n0.565165 0.438502 0.781807 N\n0.434836 0.938502 0.718193 N\n0.993345 0.796966 0.134612 N\n0.006656 0.296966 0.365387 N\n0.993346 0.703033 0.634612 N\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "B-Li-N",
"density": 1.777468731631976,
"density_atomic": 0.107674435788506,
"volume": 222.89413289465267,
"volume_molar": 5.5929160119572705,
"formula_full": "Li12 B4 N8",
"formula_reduced": "Li3BN2",
"formula_anonymous": "AB2C3",
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"spacegroup": 14
},
{
"id": "jvasp-12853",
"created_at": "2022-09-04T14:38:07.578166Z",
"updated_at": "2022-09-04T14:38:07.578191Z",
"structure_string": "Rb4 Ga12 S20\n1.0\n7.185208 0.027608 0.000000\n-2.152187 9.884328 0.000000\n0.000000 0.000000 12.743839\nRb Ga S\n4 12 20\ndirect\n0.161608 0.408120 0.608301 Rb\n0.838392 0.091880 0.108301 Rb\n0.838392 0.591880 0.391699 Rb\n0.161608 0.908120 0.891699 Rb\n0.714633 0.376228 0.833218 Ga\n0.285367 0.623773 0.166783 Ga\n0.557575 0.701559 0.899228 Ga\n0.796765 0.600364 0.084046 Ga\n0.557576 0.201559 0.600772 Ga\n0.714633 0.876228 0.666783 Ga\n0.442425 0.298442 0.100772 Ga\n0.442424 0.798442 0.399228 Ga\n0.796765 0.100364 0.415954 Ga\n0.203235 0.899636 0.584046 Ga\n0.203235 0.399636 0.915954 Ga\n0.285367 0.123773 0.333218 Ga\n0.058066 0.247248 0.358678 S\n0.345163 0.585353 0.338939 S\n0.654837 0.914647 0.838939 S\n0.058066 0.747248 0.141322 S\n0.941934 0.252752 0.858678 S\n0.435988 0.262728 0.916854 S\n0.564012 0.737272 0.083146 S\n0.719453 0.403817 0.170771 S\n0.941934 0.752752 0.641322 S\n0.185779 0.406677 0.099980 S\n0.814221 0.093323 0.599980 S\n0.435988 0.762728 0.583146 S\n0.654837 0.414647 0.661061 S\n0.719453 0.903818 0.329229 S\n0.185779 0.906677 0.400020 S\n0.280547 0.096183 0.670771 S\n0.564012 0.237272 0.416854 S\n0.280547 0.596183 0.829229 S\n0.814221 0.593323 0.900020 S\n0.345163 0.085353 0.161061 S\n",
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