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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=144",
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"results": [
{
"id": "jvasp-19300",
"created_at": "2022-09-04T14:37:08.463683Z",
"updated_at": "2022-09-04T14:37:08.463713Z",
"structure_string": "Zn6 Co4 O14\n1.0\n5.076278 -0.000000 -0.000000\n-0.000000 4.848088 -1.307694\n-0.000000 -0.090590 9.304793\nZn Co O\n6 4 14\ndirect\n0.705053 0.749749 0.000000 Zn\n0.205053 0.250252 0.000000 Zn\n0.809668 0.558134 0.605160 Zn\n0.309668 0.441867 0.394840 Zn\n0.809668 0.952972 0.394840 Zn\n0.309668 0.047028 0.605160 Zn\n0.751921 0.348289 0.201659 Co\n0.251921 0.651711 0.798341 Co\n0.251921 0.853370 0.201659 Co\n0.751921 0.146631 0.798341 Co\n0.318652 0.630315 0.000000 O\n0.818652 0.369685 0.000000 O\n0.437866 0.143330 0.150727 O\n0.937866 0.856670 0.849273 O\n0.054530 0.570366 0.263271 O\n0.554530 0.429634 0.736729 O\n0.194165 0.064557 0.402278 O\n0.054530 0.307095 0.736729 O\n0.694165 0.337722 0.402278 O\n0.194165 0.662278 0.597722 O\n0.937866 0.007397 0.150727 O\n0.694165 0.935444 0.597722 O\n0.554530 0.692905 0.263271 O\n0.437866 0.992603 0.849273 O\n",
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],
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"volume": 228.39185554295824,
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"formula_full": "Zn6 Co4 O14",
"formula_reduced": "Zn3Co2O7",
"formula_anonymous": "A2B3C7",
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"spacegroup": 36
},
{
"id": "jvasp-79371",
"created_at": "2022-09-04T14:36:40.652775Z",
"updated_at": "2022-09-04T14:36:40.652792Z",
"structure_string": "Zn3 Co1\n1.0\n-1.815924 1.815924 3.955742\n1.815924 -1.815924 3.955742\n1.815924 1.815924 -3.955742\nZn Co\n3 1\ndirect\n0.749997 0.250000 0.499997 Zn\n0.250000 0.749997 0.499997 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
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"elements": [
"Zn",
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],
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"density": 8.120424560959536,
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"volume": 52.17750240249849,
"volume_molar": 7.855506599327102,
"formula_full": "Zn3 Co1",
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"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-37614",
"created_at": "2022-09-04T14:37:48.570030Z",
"updated_at": "2022-09-04T14:37:48.570051Z",
"structure_string": "Zn3 Co1\n1.0\n3.730357 0.000000 -0.000000\n0.000000 3.730357 0.000000\n0.000000 0.000000 3.730357\nZn Co\n3 1\ndirect\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
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"elements": [
"Zn",
"Co"
],
"chemical_system": "Co-Zn",
"density": 8.162267690152786,
"density_atomic": 0.07705641543013686,
"volume": 51.91001914209982,
"volume_molar": 7.815236053200489,
"formula_full": "Zn3 Co1",
"formula_reduced": "Zn3Co",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-37639",
"created_at": "2022-09-04T14:38:03.870991Z",
"updated_at": "2022-09-04T14:38:03.871012Z",
"structure_string": "Zn3 Cd1 S4\n1.0\n5.551371 -0.000000 -0.000000\n-0.000000 5.551371 -0.000000\n-0.000000 0.000000 5.551371\nZn Cd S\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Cd\n0.262259 0.262259 0.262259 S\n0.737741 0.737741 0.262259 S\n0.262259 0.737741 0.737741 S\n0.737741 0.262259 0.737741 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Cd",
"S"
],
"chemical_system": "Cd-S-Zn",
"density": 4.240610624006392,
"density_atomic": 0.04676158571555495,
"volume": 171.0805969810996,
"volume_molar": 12.878392954062663,
"formula_full": "Zn3 Cd1 S4",
"formula_reduced": "Zn3CdS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0912300999999999,
"spacegroup": 215
},
{
"id": "jvasp-110120",
"created_at": "2022-09-04T14:38:03.135163Z",
"updated_at": "2022-09-04T14:38:03.135183Z",
"structure_string": "Zn3 Cd1 O4\n1.0\n3.331527 0.000000 0.000000\n-1.665764 2.885187 0.000000\n-0.000000 -0.000000 11.026302\nZn Cd O\n3 1 4\ndirect\n0.666668 0.333334 0.251213 Zn\n0.000000 0.000000 0.014571 Zn\n0.000000 0.000000 0.487641 Zn\n0.666668 0.333334 0.756386 Cd\n0.666668 0.333334 0.958459 O\n0.666668 0.333334 0.431294 O\n0.000000 0.000000 0.665631 O\n0.000000 0.000000 0.194805 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Cd",
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],
"chemical_system": "Cd-O-Zn",
"density": 5.838297930271654,
"density_atomic": 0.07548189587267086,
"volume": 105.98567918186721,
"volume_molar": 7.9782584822175755,
"formula_full": "Zn3 Cd1 O4",
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"formula_anonymous": "AB3C4",
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"spacegroup": 156
},
{
"id": "jvasp-37605",
"created_at": "2022-09-04T14:37:52.642563Z",
"updated_at": "2022-09-04T14:37:52.642573Z",
"structure_string": "Zn3 Cd1\n1.0\n-2.058585 2.058585 4.098909\n2.058585 -2.058585 4.098909\n2.058585 2.058585 -4.098909\nZn Cd\n3 1\ndirect\n0.749999 0.250000 0.499999 Zn\n0.250000 0.749999 0.499999 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Zn",
"density": 7.376198877290368,
"density_atomic": 0.05756971977286963,
"volume": 69.48097047859949,
"volume_molar": 10.460604609088268,
"formula_full": "Zn3 Cd1",
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"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-79111",
"created_at": "2022-09-04T14:36:45.066121Z",
"updated_at": "2022-09-04T14:36:45.066149Z",
"structure_string": "Zn3 C1\n1.0\n-1.837450 1.837450 3.801223\n1.837450 -1.837450 3.801223\n1.837450 1.837450 -3.801223\nZn C\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
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"elements": [
"Zn",
"C"
],
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"density": 6.7358755698975985,
"density_atomic": 0.07791939852925141,
"volume": 51.335098518482226,
"volume_molar": 7.728679730169186,
"formula_full": "Zn3 C1",
"formula_reduced": "Zn3C",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5786003,
"spacegroup": 139
},
{
"id": "jvasp-39579",
"created_at": "2022-09-04T14:37:45.436854Z",
"updated_at": "2022-09-04T14:37:45.436881Z",
"structure_string": "Zn3 C1\n1.0\n3.714940 -0.000000 0.000000\n-0.000000 3.714940 -0.000000\n0.000000 0.000000 3.714940\nZn C\n3 1\ndirect\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"C"
],
"chemical_system": "C-Zn",
"density": 6.744551018425395,
"density_atomic": 0.07801975455932393,
"volume": 51.26906669462178,
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"formula_full": "Zn3 C1",
"formula_reduced": "Zn3C",
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"spacegroup": 221
},
{
"id": "jvasp-62356",
"created_at": "2022-09-04T14:36:01.835600Z",
"updated_at": "2022-09-04T14:36:01.835623Z",
"structure_string": "Zn6 B2 P2 O14\n1.0\n6.444969 4.898735 0.012507\n-6.444969 4.898735 0.012507\n0.000000 2.451188 4.289590\nZn B P O\n6 2 2 14\ndirect\n0.204186 0.933204 0.537293 Zn\n0.698397 0.479957 0.538459 Zn\n0.479957 0.698397 0.538459 Zn\n0.647868 0.150131 0.229521 Zn\n0.150131 0.647868 0.229521 Zn\n0.933204 0.204186 0.537293 Zn\n0.517675 0.942455 0.898820 B\n0.942455 0.517675 0.898820 B\n0.393708 0.393708 0.233093 P\n0.940018 0.940018 0.141344 P\n0.090286 0.891773 0.240416 O\n0.396621 0.806630 0.198251 O\n0.806630 0.396621 0.198251 O\n0.663955 0.098758 0.853537 O\n0.891773 0.090286 0.240416 O\n0.541076 0.541076 0.901097 O\n0.021035 0.021035 0.778538 O\n0.759582 0.759582 0.278862 O\n0.098758 0.663955 0.853537 O\n0.397361 0.197245 0.267326 O\n0.924245 0.485726 0.645742 O\n0.485726 0.924245 0.645742 O\n0.440953 0.440953 0.490353 O\n0.197245 0.397361 0.267326 O\n",
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"elements": [
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"P",
"O"
],
"chemical_system": "B-O-P-Zn",
"density": 4.297738854959617,
"density_atomic": 0.08873495713752205,
"volume": 270.46837880143033,
"volume_molar": 6.78666103446339,
"formula_full": "Zn6 B2 P2 O14",
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"formula_anonymous": "ABC3D7",
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{
"id": "jvasp-97809",
"created_at": "2022-09-04T14:37:41.312200Z",
"updated_at": "2022-09-04T14:37:41.312211Z",
"structure_string": "Zn6 B14 Cl2 O26\n1.0\n7.441320 -0.004019 4.310332\n2.482598 7.014981 4.310332\n-0.005689 -0.004019 8.599545\nZn B Cl O\n6 14 2 26\ndirect\n0.471649 0.472979 0.034311 Zn\n0.472980 0.034311 0.471648 Zn\n0.972980 0.971648 0.534310 Zn\n0.534311 0.972979 0.971648 Zn\n0.971649 0.534311 0.972979 Zn\n0.034311 0.471648 0.472979 Zn\n0.747423 0.747827 0.253869 B\n0.747828 0.253869 0.747422 B\n0.253870 0.747423 0.747827 B\n0.753870 0.247827 0.247423 B\n0.573519 0.573586 0.267179 B\n0.247423 0.753869 0.247827 B\n0.073519 0.767179 0.073586 B\n0.073586 0.073519 0.767179 B\n0.602627 0.602626 0.602626 B\n0.102627 0.102627 0.102627 B\n0.573586 0.267179 0.573519 B\n0.267179 0.573519 0.573586 B\n0.247828 0.247423 0.753869 B\n0.767179 0.073586 0.073519 B\n0.266525 0.266525 0.266525 Cl\n0.766525 0.766525 0.766524 Cl\n0.935745 0.701382 0.254445 O\n0.435745 0.754445 0.201382 O\n0.201382 0.435745 0.754445 O\n0.191170 0.610367 0.434500 O\n0.110367 0.691169 0.934500 O\n0.934500 0.110367 0.691169 O\n0.691170 0.934500 0.110367 O\n0.754445 0.201382 0.435744 O\n0.701382 0.254445 0.935744 O\n0.445087 0.605382 0.765306 O\n0.605382 0.765306 0.445087 O\n0.765306 0.445087 0.605381 O\n0.265306 0.105382 0.945087 O\n0.105382 0.945087 0.265306 O\n0.945087 0.265306 0.105381 O\n0.989032 0.989031 0.989030 O\n0.750834 0.598679 0.214575 O\n0.598679 0.214576 0.750834 O\n0.214576 0.750834 0.598678 O\n0.098679 0.250834 0.714575 O\n0.250834 0.714576 0.098679 O\n0.714576 0.098679 0.250834 O\n0.610367 0.434500 0.191169 O\n0.434500 0.191169 0.610367 O\n0.254445 0.935745 0.701382 O\n0.489031 0.489031 0.489031 O\n",
"nsites": 48,
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"elements": [
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"density_atomic": 0.10684563385314799,
"volume": 449.24624684217525,
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"formula_full": "Zn6 B14 Cl2 O26",
"formula_reduced": "Zn3B7ClO13",
"formula_anonymous": "AB3C7D13",
"energy_above_hull": 2.9877007854513886,
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{
"id": "jvasp-39580",
"created_at": "2022-09-04T14:37:45.662515Z",
"updated_at": "2022-09-04T14:37:45.662530Z",
"structure_string": "Zn3 B1\n1.0\n-1.856684 1.856684 3.756079\n1.856684 -1.856684 3.756079\n1.856684 1.856684 -3.756079\nZn B\n3 1\ndirect\n0.250000 0.750001 0.500000 Zn\n0.750001 0.250000 0.500000 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 B\n",
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"formula_full": "Zn3 B1",
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},
{
"id": "jvasp-79364",
"created_at": "2022-09-04T14:37:16.935930Z",
"updated_at": "2022-09-04T14:37:16.935957Z",
"structure_string": "Zn3 B1\n1.0\n3.719685 -0.000000 0.000000\n-0.000000 3.719685 -0.000000\n-0.000000 -0.000000 3.719685\nZn B\n3 1\ndirect\n0.000000 0.500002 0.500002 Zn\n0.500002 0.000000 0.500002 Zn\n0.500002 0.500002 0.000000 Zn\n0.000000 0.000000 0.000000 B\n",
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"density": 6.680064732686543,
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"volume": 51.46577181931975,
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"formula_full": "Zn3 B1",
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"spacegroup": 221
}
]
}