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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=101",
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"results": [
{
"id": "jvasp-44453",
"created_at": "2022-09-04T14:38:06.226515Z",
"updated_at": "2022-09-04T14:38:06.226537Z",
"structure_string": "Li4 Fe2 Si2 C2 O14\n1.0\n0.000000 5.127399 -0.022356\n6.155897 0.000000 0.000000\n0.000000 -0.376353 -8.444556\nLi Fe Si C O\n4 2 2 2 14\ndirect\n0.780593 0.476216 0.214714 Li\n0.780593 0.023784 0.214714 Li\n0.219407 0.523784 0.785287 Li\n0.219407 0.976216 0.785287 Li\n0.208070 0.250000 0.346003 Fe\n0.791930 0.750000 0.653998 Fe\n0.295087 0.750000 0.435559 Si\n0.704914 0.250000 0.564442 Si\n0.275231 0.250000 0.047070 C\n0.724769 0.750000 0.952931 C\n0.520990 0.750000 0.856985 O\n0.801934 0.042549 0.673501 O\n0.801934 0.457452 0.673501 O\n0.175785 0.750000 0.610960 O\n0.381718 0.250000 0.539047 O\n0.618282 0.750000 0.460954 O\n0.051051 0.250000 0.117981 O\n0.198067 0.542549 0.326500 O\n0.198067 0.957452 0.326500 O\n0.479010 0.250000 0.143016 O\n0.948950 0.750000 0.882020 O\n0.715735 0.750000 0.102496 O\n0.824216 0.250000 0.389041 O\n0.284266 0.250000 0.897505 O\n",
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"volume": 266.5935651928849,
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"formula_full": "Li4 Fe2 Si2 C2 O14",
"formula_reduced": "Li2FeSiCO7",
"formula_anonymous": "ABCD2E7",
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"spacegroup": 11
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{
"id": "jvasp-44777",
"created_at": "2022-09-04T14:38:12.250727Z",
"updated_at": "2022-09-04T14:38:12.250754Z",
"structure_string": "Li2 Mn2 P4 H2 O14\n1.0\n6.591472 -0.033692 -0.038344\n0.291756 6.464567 0.017577\n2.336918 0.706834 6.014399\nLi Mn P H O\n2 2 4 2 14\ndirect\n0.157279 0.103474 0.776435 Li\n0.842721 0.896526 0.223567 Li\n0.723568 0.347074 0.895263 Mn\n0.276432 0.652926 0.104738 Mn\n0.230185 0.157053 0.226359 P\n0.813865 0.394366 0.360703 P\n0.186135 0.605634 0.639298 P\n0.769815 0.842947 0.773643 P\n0.499392 0.159255 0.347085 H\n0.500608 0.840745 0.652916 H\n0.984986 0.752744 0.609899 O\n0.282125 0.734642 0.768060 O\n0.637195 0.673751 0.948100 O\n0.331285 0.593085 0.402476 O\n0.921280 0.597949 0.227474 O\n0.078720 0.402051 0.772527 O\n0.834332 0.018878 0.874679 O\n0.362805 0.326249 0.051901 O\n0.717875 0.265358 0.231942 O\n0.015014 0.247256 0.390102 O\n0.165668 0.981122 0.125322 O\n0.352292 0.079226 0.391763 O\n0.668715 0.406914 0.597525 O\n0.647708 0.920774 0.608239 O\n",
"nsites": 24,
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],
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"density_atomic": 0.0934481784736528,
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"formula_full": "Li2 Mn2 P4 H2 O14",
"formula_reduced": "LiMnP2HO7",
"formula_anonymous": "ABCD2E7",
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"spacegroup": 2
},
{
"id": "jvasp-42168",
"created_at": "2022-09-04T14:38:16.412983Z",
"updated_at": "2022-09-04T14:38:16.413008Z",
"structure_string": "Li4 Mn2 C2 S2 O14\n1.0\n0.000000 4.816383 -0.036498\n6.387049 0.000000 0.000000\n0.000000 -1.197119 -9.063637\nLi Mn C S O\n4 2 2 2 14\ndirect\n0.783249 0.483267 0.167661 Li\n0.783249 0.016733 0.167661 Li\n0.216751 0.983267 0.832340 Li\n0.216751 0.516733 0.832340 Li\n0.255951 0.250000 0.366196 Mn\n0.744049 0.750000 0.633804 Mn\n0.272606 0.250000 0.070967 C\n0.727393 0.750000 0.929034 C\n0.234101 0.750000 0.396643 S\n0.765898 0.250000 0.603357 S\n0.518788 0.750000 0.820228 O\n0.873913 0.063256 0.687940 O\n0.873913 0.436744 0.687940 O\n0.149881 0.750000 0.546567 O\n0.453301 0.250000 0.586722 O\n0.546698 0.750000 0.413278 O\n0.021577 0.250000 0.107482 O\n0.126086 0.563256 0.312060 O\n0.126086 0.936745 0.312060 O\n0.481212 0.250000 0.179773 O\n0.978422 0.750000 0.892519 O\n0.677366 0.750000 0.063334 O\n0.850118 0.250000 0.453434 O\n0.322633 0.250000 0.936666 O\n",
"nsites": 24,
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"elements": [
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"density_atomic": 0.08599100310373828,
"volume": 279.09896540044724,
"volume_molar": 7.003221898382764,
"formula_full": "Li4 Mn2 C2 S2 O14",
"formula_reduced": "Li2MnCSO7",
"formula_anonymous": "ABCD2E7",
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"spacegroup": 11
},
{
"id": "jvasp-46838",
"created_at": "2022-09-04T14:37:58.155538Z",
"updated_at": "2022-09-04T14:37:58.155564Z",
"structure_string": "Na4 Y2 P2 C2 O14\n1.0\n0.000000 5.035295 0.014878\n6.970678 0.000000 0.000000\n0.000000 -0.132283 -9.401152\nNa Y P C O\n4 2 2 2 14\ndirect\n0.233183 0.488265 0.208812 Na\n0.233183 0.011735 0.208812 Na\n0.766818 0.511735 0.791188 Na\n0.766818 0.988266 0.791188 Na\n0.771019 0.750000 0.373819 Y\n0.228983 0.250000 0.626180 Y\n0.694528 0.250000 0.411954 P\n0.305473 0.750000 0.588046 P\n0.730312 0.750000 0.082074 C\n0.269689 0.250000 0.917926 C\n0.472772 0.250000 0.830675 O\n0.187288 0.932035 0.654804 O\n0.187288 0.567965 0.654804 O\n0.756197 0.250000 0.576665 O\n0.614212 0.750000 0.603211 O\n0.385789 0.250000 0.396788 O\n0.962722 0.750000 0.146788 O\n0.812713 0.432035 0.345195 O\n0.812713 0.067965 0.345195 O\n0.527230 0.750000 0.169325 O\n0.037279 0.250000 0.853211 O\n0.299846 0.250000 0.051117 O\n0.243805 0.750000 0.423334 O\n0.700155 0.750000 0.948883 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.07273581053440256,
"volume": 329.9612642475262,
"volume_molar": 8.279471577692325,
"formula_full": "Na4 Y2 P2 C2 O14",
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"formula_anonymous": "ABCD2E7",
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{
"id": "jvasp-40122",
"created_at": "2022-09-04T14:38:03.053040Z",
"updated_at": "2022-09-04T14:38:03.053063Z",
"structure_string": "Ba2 Na2 Sc2 Si4 O14\n1.0\n0.000000 6.864613 0.007232\n5.684181 0.000000 0.000000\n0.000000 -2.965606 -8.368844\nBa Na Sc Si O\n2 2 2 4 14\ndirect\n0.705720 0.250000 0.534713 Ba\n0.294279 0.750000 0.465287 Ba\n0.269542 0.750000 -0.000565 Na\n0.730458 0.250000 0.000565 Na\n0.698547 0.750000 0.266979 Sc\n0.301451 0.250000 0.733021 Sc\n0.643283 0.750000 0.845131 Si\n0.356716 0.250000 0.154869 Si\n0.949361 0.750000 0.681171 Si\n0.050637 0.250000 0.318829 Si\n0.916648 0.013318 0.315301 O\n0.083351 0.513317 0.684698 O\n0.264236 0.250000 0.474650 O\n0.735763 0.750000 0.525350 O\n0.365414 0.250000 0.974529 O\n0.634585 0.750000 0.025471 O\n0.108565 0.250000 0.148759 O\n0.461180 0.008175 0.250701 O\n0.461180 0.491825 0.250701 O\n0.538818 0.991824 0.749299 O\n0.916648 0.486682 0.315301 O\n0.891433 0.750000 0.851240 O\n0.538818 0.508175 0.749299 O\n0.083351 0.986682 0.684698 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.79937411208992,
"density_atomic": 0.07352312818897822,
"volume": 326.4278954278474,
"volume_molar": 8.19081139273774,
"formula_full": "Ba2 Na2 Sc2 Si4 O14",
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{
"id": "jvasp-118998",
"created_at": "2022-09-04T14:38:49.775448Z",
"updated_at": "2022-09-04T14:38:49.775472Z",
"structure_string": "Na4 Bi2 B2 As2 O14\n1.0\n7.175540 -0.000000 0.000000\n0.000000 5.425245 0.007167\n-0.000000 -0.169706 9.562704\nNa Bi B As O\n4 2 2 2 14\ndirect\n0.499036 0.266262 0.793079 Na\n0.000964 0.266262 0.793079 Na\n0.500964 0.733738 0.206920 Na\n-0.000964 0.733738 0.206920 Na\n0.750000 0.805280 0.629827 Bi\n0.250000 0.194720 0.370172 Bi\n0.750000 0.772740 0.912260 B\n0.250000 0.227260 0.087740 B\n0.250000 0.730687 0.603092 As\n0.750000 0.269313 0.396908 As\n0.250000 0.442639 0.168968 O\n0.939757 0.120976 0.324896 O\n0.560243 0.120976 0.324896 O\n0.250000 0.778267 0.421869 O\n0.750000 0.579667 0.371325 O\n0.250000 0.420333 0.628675 O\n0.750000 0.992478 0.842632 O\n0.439757 0.879024 0.675104 O\n0.060243 0.879024 0.675104 O\n0.750000 0.557361 0.831032 O\n0.250000 0.007522 0.157368 O\n0.250000 0.256437 0.947321 O\n0.750000 0.221733 0.578131 O\n0.750000 0.743563 0.052679 O\n",
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],
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"formula_full": "Na4 Bi2 B2 As2 O14",
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{
"id": "jvasp-116763",
"created_at": "2022-09-04T14:38:45.445295Z",
"updated_at": "2022-09-04T14:38:45.445323Z",
"structure_string": "Sr4 La2 Mn2 Co2 O14\n1.0\n5.423343 -0.002845 0.000209\n0.004811 10.011457 2.706499\n-0.000168 0.002919 5.423418\nSr La Mn Co O\n4 2 2 2 14\ndirect\n0.000036 0.002204 0.498810 Sr\n0.500068 0.002204 0.998915 Sr\n0.000040 0.363329 0.318211 Sr\n0.500036 0.363328 0.818415 Sr\n0.499962 0.637028 0.182023 La\n0.999610 0.637028 0.681235 La\n0.500039 0.192377 0.403831 Mn\n0.000064 0.192377 0.903735 Mn\n0.000001 0.810820 0.094537 Co\n0.499939 0.810820 0.594682 Co\n0.250066 0.193754 0.153077 O\n0.750065 0.193957 0.652978 O\n0.249964 0.799131 0.850447 O\n0.749958 0.799720 0.350154 O\n0.249917 0.799564 0.350287 O\n0.749921 0.799281 0.850432 O\n0.500165 0.609685 0.694674 O\n0.499919 0.002385 0.499257 O\n0.000017 0.395612 0.802322 O\n0.500067 0.395612 0.302022 O\n0.750063 0.193699 0.153108 O\n0.999806 0.609684 0.195663 O\n0.000205 0.002385 0.998248 O\n0.250062 0.194017 0.652948 O\n",
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],
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"density": 6.091279965959938,
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"formula_full": "Sr4 La2 Mn2 Co2 O14",
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{
"id": "jvasp-30304",
"created_at": "2022-09-04T14:37:56.840972Z",
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"structure_string": "Li4 Dy2 P2 C2 O14\n1.0\n9.545472 0.000000 0.343865\n0.000000 6.593651 0.000000\n0.477684 0.000000 4.666770\nLi Dy P C O\n4 2 2 2 14\ndirect\n0.163051 0.997016 0.209214 Li\n0.163051 0.502984 0.209214 Li\n0.836949 0.497016 0.790785 Li\n0.836949 0.002984 0.790785 Li\n0.373804 0.750000 0.735575 Dy\n0.626196 0.250000 0.264424 Dy\n0.385506 0.250000 0.756337 P\n0.614494 0.750000 0.243662 P\n0.074695 0.750000 0.718488 C\n0.925305 0.250000 0.281511 C\n0.822983 0.250000 0.502246 O\n0.690682 0.940865 0.112930 O\n0.690682 0.559135 0.112930 O\n0.545479 0.250000 0.800374 O\n0.607802 0.750000 0.575834 O\n0.392198 0.250000 0.424165 O\n0.114650 0.750000 0.971092 O\n0.309318 0.440865 0.887069 O\n0.309318 0.059135 0.887069 O\n0.177017 0.750000 0.497753 O\n0.885350 0.250000 0.028907 O\n0.055050 0.250000 0.320432 O\n0.454521 0.750000 0.199625 O\n0.944950 0.750000 0.679567 O\n",
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"formula_full": "Li4 Dy2 P2 C2 O14",
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{
"id": "jvasp-53095",
"created_at": "2022-09-04T14:35:41.411829Z",
"updated_at": "2022-09-04T14:35:41.411853Z",
"structure_string": "Na2 Li2 Zn2 P4 O14\n1.0\n6.257908 0.000000 0.000000\n0.000000 6.515615 -3.359789\n-0.000000 -0.010910 7.330847\nNa Li Zn P O\n2 2 2 4 14\ndirect\n0.250000 0.254540 0.254541 Na\n0.750000 0.745459 0.745459 Na\n0.000000 0.212151 0.787849 Li\n0.500000 0.787848 0.212151 Li\n0.000000 0.785618 0.214381 Zn\n0.500000 0.214381 0.785619 Zn\n0.253836 0.576390 0.808400 P\n0.246164 0.808400 0.576390 P\n0.746165 0.191600 0.423610 P\n0.753836 0.423609 0.191600 P\n0.745718 0.657457 0.265349 O\n0.750000 0.409231 0.409232 O\n0.754283 0.265349 0.657458 O\n0.545762 0.319550 0.081732 O\n0.542906 0.078553 0.324710 O\n0.454238 0.918267 0.680450 O\n0.042905 0.921447 0.675290 O\n0.254283 0.734650 0.342542 O\n0.245718 0.342542 0.734651 O\n0.250000 0.590768 0.590768 O\n0.954239 0.081732 0.319550 O\n0.045762 0.680450 0.918268 O\n0.457095 0.675290 0.921447 O\n0.957095 0.324709 0.078553 O\n",
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"formula_full": "Na2 Li2 Zn2 P4 O14",
"formula_reduced": "NaLiZnP2O7",
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{
"id": "jvasp-44591",
"created_at": "2022-09-04T14:38:32.350206Z",
"updated_at": "2022-09-04T14:38:32.350245Z",
"structure_string": "Na4 Cr2 C2 S2 O14\n1.0\n0.000000 5.076371 0.036773\n7.240806 0.000000 0.000000\n0.000000 -0.171189 -8.657943\nNa Cr C S O\n4 2 2 2 14\ndirect\n0.758795 -0.002054 0.218458 Na\n0.758795 0.502054 0.218458 Na\n0.241205 0.497947 0.781542 Na\n0.241205 0.002054 0.781542 Na\n0.215417 0.250000 0.365641 Cr\n0.784582 0.750000 0.634359 Cr\n0.278559 0.250000 0.085455 C\n0.721441 0.750000 0.914545 C\n0.280387 0.750000 0.396838 S\n0.719612 0.250000 0.603162 S\n0.525681 0.750000 0.810652 O\n0.798591 0.082226 0.687580 O\n0.798591 0.417774 0.687580 O\n0.162179 0.750000 0.554296 O\n0.422863 0.250000 0.577152 O\n0.577136 0.750000 0.422848 O\n0.046374 0.250000 0.149335 O\n0.201409 0.582226 0.312421 O\n0.201409 0.917775 0.312421 O\n0.474319 0.250000 0.189348 O\n0.953625 0.750000 0.850665 O\n0.687818 0.750000 0.057533 O\n0.837820 0.250000 0.445704 O\n0.312181 0.250000 0.942467 O\n",
"nsites": 24,
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"elements": [
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"formula_full": "Na4 Cr2 C2 S2 O14",
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"formula_anonymous": "ABCD2E7",
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},
{
"id": "jvasp-44061",
"created_at": "2022-09-04T14:36:54.502149Z",
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}