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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=649",
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"results": [
{
"id": "jvasp-42637",
"created_at": "2022-09-04T14:35:44.733135Z",
"updated_at": "2022-09-04T14:35:44.733162Z",
"structure_string": "Cr2 P4 O12\n1.0\n4.858941 4.434352 0.277583\n-4.858941 4.434352 -0.277583\n-1.310297 0.000000 4.891696\nCr P O\n2 4 12\ndirect\n0.891357 0.891357 0.750001 Cr\n0.108642 0.108642 0.250000 Cr\n0.378299 0.796135 0.772565 P\n0.203865 0.621700 0.272564 P\n0.796134 0.378300 0.727436 P\n0.621700 0.203865 0.227436 P\n0.408059 0.104430 0.215122 O\n0.647072 0.362747 0.447034 O\n0.895569 0.591940 0.715123 O\n0.637252 0.352927 0.947035 O\n0.362747 0.647072 0.052966 O\n0.591940 0.895570 0.784878 O\n0.352927 0.637252 0.552967 O\n0.933552 0.201678 0.790899 O\n0.066447 0.798322 0.209102 O\n0.201678 0.933553 0.709102 O\n0.104430 0.408059 0.284878 O\n0.798322 0.066447 0.290899 O\n",
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"elements": [
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"density": 3.2577492068799443,
"density_atomic": 0.08410383844792857,
"volume": 214.02114733615144,
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{
"id": "jvasp-88701",
"created_at": "2022-09-04T14:35:44.241593Z",
"updated_at": "2022-09-04T14:35:44.241630Z",
"structure_string": "Rb2 Au2 N24\n1.0\n7.457833 0.007105 -0.079539\n-0.208161 7.454930 -0.079539\n-0.052294 -0.053826 7.884850\nRb Au N\n2 2 24\ndirect\n0.922267 0.077734 0.250000 Rb\n0.077733 0.922267 0.750000 Rb\n0.488043 0.511958 0.750000 Au\n0.511958 0.488043 0.250000 Au\n0.248407 0.474332 0.318521 N\n0.223456 0.534579 0.821057 N\n0.776544 0.465421 0.178942 N\n0.919885 0.280523 0.584320 N\n0.465421 0.776544 0.678942 N\n0.719477 0.080115 0.915679 N\n0.842880 0.592684 0.106468 N\n0.709830 0.913731 0.537677 N\n0.290170 0.086269 0.462323 N\n0.592684 0.842880 0.606468 N\n0.534580 0.223456 0.321057 N\n0.086270 0.290169 0.962323 N\n0.169798 0.605278 0.367880 N\n0.605278 0.169798 0.867880 N\n0.913730 0.709831 0.037677 N\n0.394722 0.830202 0.132120 N\n0.474333 0.248407 0.818521 N\n0.525668 0.751593 0.181479 N\n0.830202 0.394723 0.632120 N\n0.407317 0.157120 0.393531 N\n0.157120 0.407316 0.893531 N\n0.280523 0.919886 0.084320 N\n0.751593 0.525668 0.681479 N\n0.080115 0.719477 0.415679 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Au",
"N"
],
"chemical_system": "Au-N-Rb",
"density": 3.413423079148829,
"density_atomic": 0.0638792819873989,
"volume": 438.32678027789046,
"volume_molar": 9.427377034682316,
"formula_full": "Rb2 Au2 N24",
"formula_reduced": "RbAuN12",
"formula_anonymous": "ABC12",
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"spacegroup": 15
},
{
"id": "jvasp-91467",
"created_at": "2022-09-04T14:35:44.280031Z",
"updated_at": "2022-09-04T14:35:44.280066Z",
"structure_string": "Mn4 P8 O24\n1.0\n6.924766 0.038071 -2.471123\n-3.046161 6.589846 -1.164098\n0.019712 -0.012055 9.927980\nMn P O\n4 8 24\ndirect\n0.500001 0.500001 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.294392 0.544392 0.750000 Mn\n0.705609 0.455609 0.250000 Mn\n0.768192 0.220190 0.520173 P\n0.799984 0.751983 0.020173 P\n0.231809 0.779812 0.479827 P\n0.200017 0.248019 0.979828 P\n0.498394 0.810224 0.300898 P\n0.990675 0.802505 0.800898 P\n0.501607 0.189777 0.699102 P\n0.009326 0.197496 0.199102 P\n0.470893 0.380457 0.683587 O\n0.242436 0.413026 0.910997 O\n0.002027 0.331438 0.589003 O\n0.384693 0.214063 0.080612 O\n0.633451 0.304080 0.419388 O\n0.615308 0.785938 0.919388 O\n0.366550 0.695921 0.580613 O\n0.803131 0.212694 0.183587 O\n0.529108 0.619544 0.316414 O\n0.196870 0.787307 0.816414 O\n0.193157 0.298561 0.346992 O\n0.938410 0.720218 0.930732 O\n0.806844 0.701440 0.653009 O\n0.548431 0.153835 0.846992 O\n0.061591 0.279783 0.069268 O\n0.710515 0.992323 0.430732 O\n0.997974 0.668563 0.410998 O\n0.289486 0.007678 0.569269 O\n0.966618 0.962466 0.150985 O\n0.311483 0.815633 0.349016 O\n0.033383 0.037535 0.849016 O\n0.688518 0.184369 0.650985 O\n0.451570 0.846166 0.153009 O\n0.757565 0.586975 0.089003 O\n",
"nsites": 36,
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"elements": [
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"P",
"O"
],
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"density": 3.1122753560356484,
"density_atomic": 0.07923782523809021,
"volume": 454.32847117937473,
"volume_molar": 7.600083346438327,
"formula_full": "Mn4 P8 O24",
"formula_reduced": "Mn(PO3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 15
},
{
"id": "jvasp-52544",
"created_at": "2022-09-04T14:35:44.472641Z",
"updated_at": "2022-09-04T14:35:44.472675Z",
"structure_string": "Ba4 Y2 Br14\n1.0\n8.706621 4.279726 -0.477934\n-8.706621 4.279726 0.477934\n-6.415061 0.000000 8.799743\nBa Y Br\n4 2 14\ndirect\n0.306472 0.683647 0.721771 Ba\n0.316353 0.693528 0.221771 Ba\n0.683647 0.306472 0.778229 Ba\n0.693528 0.316353 0.278229 Ba\n0.963054 0.963054 0.750000 Y\n0.036947 0.036947 0.250000 Y\n0.927546 0.752694 0.063169 Br\n0.892754 0.641440 0.450771 Br\n0.399483 0.399483 0.250000 Br\n0.247307 0.072455 0.563169 Br\n0.641440 0.892754 0.049229 Br\n0.358561 0.107247 0.950770 Br\n0.107247 0.358561 0.549229 Br\n0.600518 0.600518 0.750000 Br\n0.688099 0.069408 0.652277 Br\n0.072455 0.247307 0.936831 Br\n0.311901 0.930593 0.347722 Br\n0.069408 0.688099 0.847722 Br\n0.752694 0.927546 0.436831 Br\n0.930593 0.311901 0.152278 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Br"
],
"chemical_system": "Ba-Br-Y",
"density": 4.868543783008239,
"density_atomic": 0.0317688178120782,
"volume": 629.548134850526,
"volume_molar": 18.956137416326648,
"formula_full": "Ba4 Y2 Br14",
"formula_reduced": "Ba2YBr7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0061366125,
"spacegroup": 15
},
{
"id": "jvasp-52566",
"created_at": "2022-09-04T14:35:44.555589Z",
"updated_at": "2022-09-04T14:35:44.555608Z",
"structure_string": "Ti2 Ga4 O10\n1.0\n5.018960 -0.007570 0.008081\n-2.501893 5.049460 0.025251\n-0.014444 -2.443467 6.579067\nTi Ga O\n2 4 10\ndirect\n0.997716 0.997812 0.498379 Ti\n0.997689 0.997796 0.998377 Ti\n0.635540 0.274118 0.727100 Ga\n0.636185 0.274121 0.227098 Ga\n0.359162 0.721388 0.769789 Ga\n0.359818 0.721378 0.269786 Ga\n0.417369 0.171040 0.949314 O\n0.751292 0.171057 0.449318 O\n0.337095 0.365577 0.646101 O\n0.969264 0.629987 0.850787 O\n0.026086 0.365564 0.146107 O\n0.658337 0.629993 0.350790 O\n0.244258 0.824625 0.547619 O\n0.800094 -0.002195 0.748453 O\n0.577982 0.824605 0.047617 O\n0.195326 0.997788 0.248453 O\n",
"nsites": 16,
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"elements": [
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"Ga",
"O"
],
"chemical_system": "Ga-O-Ti",
"density": 5.31691213806603,
"density_atomic": 0.09582639875814995,
"volume": 166.96860371828606,
"volume_molar": 6.284427713076114,
"formula_full": "Ti2 Ga4 O10",
"formula_reduced": "TiGa2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8825525604166669,
"spacegroup": 15
},
{
"id": "jvasp-96682",
"created_at": "2022-09-04T14:35:44.577903Z",
"updated_at": "2022-09-04T14:35:44.577925Z",
"structure_string": "Ca2 Mg2 As2 O8 F2\n1.0\n5.474204 -0.007128 -1.337167\n-1.966747 5.108705 -1.337167\n-0.012221 -0.017776 7.113759\nCa Mg As O F\n2 2 2 8 2\ndirect\n0.835911 0.671225 0.750974 Ca\n0.171225 0.335912 0.250974 Ca\n0.503551 0.003569 0.000969 Mg\n0.503569 0.003551 0.500969 Mg\n0.824702 0.682427 0.250975 As\n0.182426 0.324703 0.750976 As\n0.243849 0.622178 0.927104 O\n0.603304 0.674702 0.382149 O\n0.832423 0.903837 0.119811 O\n0.763250 0.384948 0.074840 O\n0.174702 0.103304 0.882150 O\n0.403836 0.332423 0.619811 O\n0.122178 0.743849 0.427105 O\n0.884947 0.263250 0.574840 O\n0.421499 0.085621 0.250972 F\n0.585620 0.921499 0.750972 F\n",
"nsites": 16,
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"elements": [
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"Mg",
"As",
"O",
"F"
],
"chemical_system": "As-Ca-F-Mg-O",
"density": 3.717712505468483,
"density_atomic": 0.08057049850013359,
"volume": 198.58385262409007,
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"formula_full": "Ca2 Mg2 As2 O8 F2",
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"formula_anonymous": "ABCDE4",
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"spacegroup": 15
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{
"id": "jvasp-97955",
"created_at": "2022-09-04T14:35:44.630144Z",
"updated_at": "2022-09-04T14:35:44.630176Z",
"structure_string": "H4 C4 S6 N4 O12 F12\n1.0\n4.477005 2.709392 -0.394925\n-4.477005 2.709392 0.394925\n-0.024986 0.000000 20.738601\nH C S N O F\n4 4 6 4 12 12\ndirect\n0.036781 0.405383 0.798658 H\n0.405383 0.036782 0.701342 H\n0.963218 0.594616 0.201342 H\n0.594616 0.963218 0.298658 H\n0.320600 0.226673 0.931679 C\n0.226673 0.320600 0.568321 C\n0.679399 0.773326 0.068321 C\n0.773326 0.679399 0.431679 C\n0.570251 0.570252 0.250000 S\n0.429747 0.429748 0.750000 S\n0.956605 0.902870 0.357986 S\n0.043393 0.097130 0.642014 S\n0.097129 0.043394 0.857986 S\n0.902869 0.956606 0.142014 S\n0.176085 0.316440 0.803936 N\n0.316439 0.176086 0.696064 N\n0.823914 0.683560 0.196064 N\n0.683559 0.823914 0.303936 N\n0.134256 0.786170 0.337988 O\n0.572633 0.318362 0.280447 O\n0.318361 0.572633 0.219553 O\n0.427366 0.681638 0.719553 O\n0.681637 0.427366 0.780447 O\n0.786170 0.134256 0.162012 O\n0.196879 0.059074 0.126838 O\n0.213829 0.865743 0.837988 O\n0.059073 0.196879 0.373162 O\n0.940925 0.803121 0.626838 O\n0.803120 0.940926 0.873162 O\n0.865743 0.213830 0.662012 O\n0.346020 0.603534 0.578746 F\n0.603534 0.346021 0.921254 F\n0.978169 0.744728 0.480012 F\n0.744728 0.978169 0.019988 F\n0.021830 0.255271 0.519988 F\n0.568614 0.747327 0.447839 F\n0.747326 0.568614 0.052161 F\n0.431385 0.252673 0.552161 F\n0.252672 0.431386 0.947839 F\n0.396465 0.653979 0.078746 F\n0.255271 0.021830 0.980012 F\n0.653979 0.396465 0.421254 F\n",
"nsites": 42,
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"elements": [
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"N",
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],
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"density": 2.3781501288226035,
"density_atomic": 0.08348848370973203,
"volume": 503.0633943002629,
"volume_molar": 7.213139456379917,
"formula_full": "H4 C4 S6 N4 O12 F12",
"formula_reduced": "H2C2S3N2(OF)6",
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"spacegroup": 15
},
{
"id": "jvasp-97882",
"created_at": "2022-09-04T14:35:44.693902Z",
"updated_at": "2022-09-04T14:35:44.693921Z",
"structure_string": "Zn2 Bi12 P4 O28 F4\n1.0\n5.484948 -0.000020 0.974860\n2.476350 8.241645 1.984086\n-0.032781 0.020481 16.098799\nZn Bi P O F\n2 12 4 28 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.239253 0.761568 0.831013 Bi\n0.831800 0.738435 0.668976 Bi\n0.495569 0.542237 0.329100 Bi\n0.760747 0.238433 0.168987 Bi\n0.168200 0.261566 0.331024 Bi\n0.947612 0.376694 0.830894 Bi\n0.633137 0.042244 0.829096 Bi\n0.366863 0.957756 0.170904 Bi\n0.504432 0.457764 0.670900 Bi\n0.155201 0.123311 0.669097 Bi\n0.052389 0.623307 0.169106 Bi\n0.844800 0.876690 0.330903 Bi\n0.340269 0.779994 0.498155 P\n0.659731 0.220006 0.501845 P\n0.618413 0.720010 0.001859 P\n0.381588 0.279990 0.998141 P\n0.712841 0.749999 0.250001 O\n0.328782 0.759950 0.595770 O\n0.287159 0.250002 0.749999 O\n0.212523 0.750000 0.250009 O\n0.385485 0.423213 0.237689 O\n0.101205 0.494921 0.383968 O\n0.046387 0.076771 0.262321 O\n0.664028 0.250312 0.968645 O\n0.883127 0.249644 0.531286 O\n0.898796 0.505079 0.616032 O\n0.749113 0.802432 0.046498 O\n0.953613 0.923229 0.737679 O\n0.116873 0.750357 0.468715 O\n0.543711 0.083655 0.258568 O\n0.787477 0.250000 0.749991 O\n0.456289 0.916345 0.741432 O\n0.335972 0.749689 0.031355 O\n0.885947 0.416339 0.241440 O\n0.597941 0.697517 0.453489 O\n0.684319 0.740084 0.904237 O\n0.671218 0.240050 0.404231 O\n0.114053 0.583661 0.758560 O\n0.980054 0.005103 0.116033 O\n0.250888 0.197568 0.953502 O\n0.315681 0.259917 0.095763 O\n0.614516 0.576788 0.762311 O\n0.019946 0.994897 0.883967 O\n0.402059 0.302483 0.546512 O\n0.692526 0.027377 0.535994 F\n0.744050 0.527361 0.035977 F\n0.255950 0.472639 0.964024 F\n0.307474 0.972624 0.464006 F\n",
"nsites": 50,
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"elements": [
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"Bi",
"P",
"O",
"F"
],
"chemical_system": "Bi-F-O-P-Zn",
"density": 7.497952823884832,
"density_atomic": 0.06869671423047509,
"volume": 727.836848677387,
"volume_molar": 8.76627190610009,
"formula_full": "Zn2 Bi12 P4 O28 F4",
"formula_reduced": "ZnBi6P2(O7F)2",
"formula_anonymous": "AB2C2D6E14",
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"spacegroup": 15
},
{
"id": "jvasp-48663",
"created_at": "2022-09-04T14:35:44.840836Z",
"updated_at": "2022-09-04T14:35:44.840854Z",
"structure_string": "Li2 Mn4 F10\n1.0\n0.000000 5.102411 0.000000\n-6.211625 2.551206 -0.112380\n-0.466407 0.000000 5.381241\nLi Mn F\n2 4 10\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.331949 0.795639 0.551135 Mn\n0.872413 0.795638 0.051135 Mn\n0.127588 0.204361 0.948865 Mn\n0.668051 0.204361 0.448865 Mn\n0.486785 0.806362 0.910646 F\n0.706853 0.806361 0.410646 F\n0.144526 0.576726 0.812233 F\n0.278749 0.576726 0.312233 F\n0.721252 0.423274 0.687767 F\n0.855474 0.423274 0.187767 F\n0.293147 0.193638 0.589354 F\n0.513216 0.193638 0.089354 F\n0.943963 0.000000 0.750000 F\n0.056036 0.000000 0.250000 F\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.117941172838267,
"density_atomic": 0.0936647979348026,
"volume": 170.82191338454757,
"volume_molar": 6.4294600455892095,
"formula_full": "Li2 Mn4 F10",
"formula_reduced": "LiMn2F5",
"formula_anonymous": "AB2C5",
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"spacegroup": 15
},
{
"id": "jvasp-95243",
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{
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