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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4371",
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{
"id": "jvasp-112482",
"created_at": "2022-09-04T14:38:40.535669Z",
"updated_at": "2022-09-04T14:38:40.535696Z",
"structure_string": "Cr5 Se8\n1.0\n5.618652 -0.018683 3.859693\n0.957939 5.536420 3.859693\n0.004957 0.004159 8.432190\nCr Se\n5 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.270207 0.270207 0.987153 Cr\n0.729794 0.729794 0.012846 Cr\n0.271575 0.728426 0.499999 Cr\n0.728426 0.271575 0.499999 Cr\n0.974992 0.974993 0.325294 Se\n0.025008 0.025008 0.674705 Se\n0.450797 0.450797 0.333914 Se\n0.549204 0.549204 0.666085 Se\n0.033168 0.544467 0.170995 Se\n0.544467 0.033168 0.170995 Se\n0.966832 0.455534 0.829004 Se\n0.455533 0.966833 0.829004 Se\n",
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{
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"structure_string": "Cr4 Se6\n1.0\n5.619779 0.000610 3.973653\n2.057282 5.229675 3.973653\n0.000896 0.000611 6.882720\nCr Se\n4 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.499999 Cr\n0.324792 0.324792 0.324792 Cr\n0.675208 0.675208 0.675207 Cr\n0.593014 0.907485 0.257215 Se\n0.257216 0.593014 0.907483 Se\n0.907484 0.257216 0.593013 Se\n0.406987 0.092516 0.742784 Se\n0.742784 0.406986 0.092515 Se\n0.092516 0.742785 0.406985 Se\n",
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"volume_molar": 12.179454822057908,
"formula_full": "Cr4 Se6",
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"formula_anonymous": "A2B3",
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"spacegroup": 148
},
{
"id": "jvasp-52857",
"created_at": "2022-09-04T14:36:41.186233Z",
"updated_at": "2022-09-04T14:36:41.186253Z",
"structure_string": "Cr7 Se8\n1.0\n6.426016 3.730244 -0.113517\n0.024161 3.730244 6.016665\n6.450177 0.000000 5.903149\nCr Se\n7 8\ndirect\n0.500000 0.499999 0.500001 Cr\n0.500000 -0.000001 0.000000 Cr\n-0.000000 0.500000 0.500001 Cr\n0.769118 0.769118 0.730883 Cr\n0.230881 0.230881 0.269119 Cr\n0.765643 0.234356 0.242553 Cr\n0.234356 0.765643 0.757449 Cr\n0.951600 0.048399 0.715526 Se\n0.048399 0.951600 0.284476 Se\n0.463769 0.536230 0.203617 Se\n0.536230 0.463769 0.796384 Se\n0.470285 0.042352 0.698562 Se\n0.042352 0.470284 0.788802 Se\n0.957647 0.529714 0.211200 Se\n0.529714 0.957647 0.301440 Se\n",
"nsites": 15,
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"elements": [
"Cr",
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],
"chemical_system": "Cr-Se",
"density": 5.7314071421133885,
"density_atomic": 0.05199906640328086,
"volume": 288.46671753040516,
"volume_molar": 11.581247850288397,
"formula_full": "Cr7 Se8",
"formula_reduced": "Cr7Se8",
"formula_anonymous": "A7B8",
"energy_above_hull": 3.672950582222223,
"spacegroup": 12
},
{
"id": "jvasp-28352",
"created_at": "2022-09-04T14:37:51.714025Z",
"updated_at": "2022-09-04T14:37:51.714041Z",
"structure_string": "Cr1 Se2\n1.0\n3.264278 -0.000002 0.000065\n-1.632141 2.826950 -0.000000\n0.000003 0.000001 6.290648\nCr Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.666676 0.333338 0.752503 Se\n0.333325 0.666662 0.247498 Se\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Cr-Se",
"density": 6.004741975401524,
"density_atomic": 0.05167979218722868,
"volume": 58.0497690302511,
"volume_molar": 11.652796006188694,
"formula_full": "Cr1 Se2",
"formula_reduced": "CrSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.123058044444444,
"spacegroup": 164
},
{
"id": "jvasp-4367",
"created_at": "2022-09-04T14:37:09.202375Z",
"updated_at": "2022-09-04T14:37:09.202391Z",
"structure_string": "Cr2 Sb2\n1.0\n2.004540 -3.471964 0.000000\n2.004540 3.471964 0.000000\n0.000000 0.000000 5.894456\nCr Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 4,
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"elements": [
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"Sb"
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"chemical_system": "Cr-Sb",
"density": 7.0332408053539215,
"density_atomic": 0.048752436482464925,
"volume": 82.04718140474279,
"volume_molar": 12.35249188451539,
"formula_full": "Cr2 Sb2",
"formula_reduced": "CrSb",
"formula_anonymous": "AB",
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"spacegroup": 194
},
{
"id": "jvasp-15006",
"created_at": "2022-09-04T14:35:41.525659Z",
"updated_at": "2022-09-04T14:35:41.525684Z",
"structure_string": "Cr2 Sb4\n1.0\n5.246895 0.004454 -1.540834\n-2.939035 4.346493 -1.540834\n-0.002362 -0.004454 5.468462\nCr Sb\n2 4\ndirect\n0.250000 0.250000 0.000000 Cr\n0.749999 0.749999 0.000001 Cr\n0.659364 0.159363 0.818727 Sb\n0.159363 0.340637 0.500000 Sb\n0.840637 0.659362 0.500001 Sb\n0.340636 0.840636 0.181274 Sb\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Cr-Sb",
"density": 7.869643622631056,
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"volume": 124.71111841662055,
"volume_molar": 12.517131824031955,
"formula_full": "Cr2 Sb4",
"formula_reduced": "CrSb2",
"formula_anonymous": "AB2",
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"spacegroup": 140
},
{
"id": "jvasp-19789",
"created_at": "2022-09-04T14:38:19.187159Z",
"updated_at": "2022-09-04T14:38:19.187187Z",
"structure_string": "Cr2 Sb2\n1.0\n2.004540 -3.471964 -0.000000\n2.004540 3.471964 0.000000\n0.000000 0.000000 5.894456\nCr Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 4,
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"elements": [
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"Sb"
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"volume": 82.04718140474279,
"volume_molar": 12.35249188451539,
"formula_full": "Cr2 Sb2",
"formula_reduced": "CrSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.20639175,
"spacegroup": 194
},
{
"id": "jvasp-18230",
"created_at": "2022-09-04T14:38:07.578491Z",
"updated_at": "2022-09-04T14:38:07.578514Z",
"structure_string": "Cr2 Sb4\n1.0\n3.478650 0.000000 0.000000\n0.000000 5.952304 0.000000\n0.000000 0.000000 6.893285\nCr Sb\n2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.183805 0.362476 Sb\n0.000000 0.816194 0.637523 Sb\n0.500000 0.683805 0.137524 Sb\n0.500000 0.316195 0.862476 Sb\n",
"nsites": 6,
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"elements": [
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"density": 6.87603639180812,
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"volume": 142.73223726503102,
"volume_molar": 14.32589372999557,
"formula_full": "Cr2 Sb4",
"formula_reduced": "CrSb2",
"formula_anonymous": "AB2",
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"spacegroup": 58
},
{
"id": "jvasp-42476",
"created_at": "2022-09-04T14:36:52.414230Z",
"updated_at": "2022-09-04T14:36:52.414262Z",
"structure_string": "Cr6 S8\n1.0\n0.000000 6.045682 0.023595\n3.456824 0.000000 0.000000\n0.000000 -0.287277 -11.172783\nCr S\n6 8\ndirect\n-0.000007 0.000000 -0.000001 Cr\n0.500010 0.499999 0.500002 Cr\n0.516777 0.499999 0.235545 Cr\n0.016853 0.000000 0.735554 Cr\n0.983149 0.000000 0.264436 Cr\n0.483220 0.499999 0.764460 Cr\n0.675242 0.000000 0.123252 S\n0.175323 0.499999 0.623271 S\n0.154898 0.499999 0.133124 S\n0.654964 0.000000 0.633131 S\n0.345043 0.000000 0.366876 S\n0.845094 0.499999 0.866873 S\n0.824691 0.499999 0.376726 S\n0.324738 0.000000 0.876751 S\n",
"nsites": 14,
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"elements": [
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"density": 4.043306092989445,
"density_atomic": 0.05996359839377719,
"volume": 233.4749810720644,
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"formula_full": "Cr6 S8",
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"spacegroup": 12
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{
"id": "jvasp-42479",
"created_at": "2022-09-04T14:36:52.772472Z",
"updated_at": "2022-09-04T14:36:52.772491Z",
"structure_string": "Cr4 S6\n1.0\n3.293457 -4.857257 -0.000000\n1.935061 4.857256 -2.665033\n1.961308 4.875053 3.847884\nCr S\n4 6\ndirect\n0.323534 0.676467 0.970600 Cr\n0.500001 0.500000 0.500002 Cr\n-0.000002 0.000002 -0.000005 Cr\n0.676471 0.323530 0.029411 Cr\n0.092917 0.596412 0.242247 S\n0.596415 0.745747 0.757750 S\n0.403589 0.254258 0.242247 S\n0.907085 0.403586 0.757750 S\n0.254254 0.092916 0.757750 S\n0.745742 0.907083 0.242248 S\n",
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"elements": [
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"density": 4.0074667110946445,
"density_atomic": 0.060277401935703766,
"volume": 165.8996519237296,
"volume_molar": 9.990710559197046,
"formula_full": "Cr4 S6",
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"spacegroup": 148
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{
"id": "jvasp-95271",
"created_at": "2022-09-04T14:36:18.126377Z",
"updated_at": "2022-09-04T14:36:18.126402Z",
"structure_string": "Cr10 S16\n1.0\n0.000000 6.684612 0.000000\n-0.084250 0.000000 10.909731\n5.653279 -3.342306 -0.124827\nCr S\n10 16\ndirect\n0.000003 -0.000001 0.000005 Cr\n0.957536 0.247355 0.500863 Cr\n0.042463 0.752647 0.499135 Cr\n0.456671 0.752647 0.499135 Cr\n0.524472 0.234232 0.048946 Cr\n0.543326 0.247355 0.500863 Cr\n0.976994 0.257437 0.953991 Cr\n0.023004 0.742560 0.046008 Cr\n0.500000 0.500000 0.000001 Cr\n0.475526 0.765770 0.951053 Cr\n0.662887 0.627346 0.828750 S\n0.835597 0.878012 0.168726 S\n0.666872 0.121986 0.831273 S\n0.164400 0.121986 0.831273 S\n0.337108 0.372654 0.171249 S\n0.834141 0.372654 0.171249 S\n0.165860 0.627346 0.828750 S\n0.172494 0.608152 0.344988 S\n0.674581 0.102305 0.349163 S\n0.341395 0.348088 0.682792 S\n0.658607 0.651909 0.317214 S\n0.333129 0.878012 0.168726 S\n0.827506 0.391849 0.655014 S\n0.158362 0.144278 0.316723 S\n0.325417 0.897699 0.650837 S\n0.841639 0.855718 0.683280 S\n",
"nsites": 26,
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"density": 4.161340314156054,
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"volume": 412.2081797784299,
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"formula_full": "Cr10 S16",
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"spacegroup": 12
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{
"id": "jvasp-11345",
"created_at": "2022-09-04T14:37:19.588438Z",
"updated_at": "2022-09-04T14:37:19.588455Z",
"structure_string": "Cr4 S8\n1.0\n6.702893 0.145730 0.103782\n3.223655 5.878228 0.104665\n3.223972 1.955144 5.544088\nCr S\n4 8\ndirect\n0.493352 0.519802 0.493466 Cr\n0.493417 0.993474 0.019775 Cr\n0.493450 0.993382 0.493331 Cr\n0.019780 0.993354 0.493413 Cr\n0.248344 0.748420 0.754948 S\n0.248277 0.254940 0.248424 S\n0.754952 0.748276 0.248346 S\n0.248419 0.748350 0.248284 S\n0.743452 0.769711 0.743384 S\n0.743405 0.243377 0.269740 S\n0.743419 0.243460 0.743490 S\n0.269732 0.243450 0.743409 S\n",
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"elements": [
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"volume": 213.20366792903195,
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"formula_full": "Cr4 S8",
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"spacegroup": 216
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]
}