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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4027",
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"results": [
{
"id": "jvasp-94043",
"created_at": "2022-09-04T14:35:49.330364Z",
"updated_at": "2022-09-04T14:35:49.330390Z",
"structure_string": "Mg6 V1 Sb1\n1.0\n6.278107 0.093788 0.000000\n-3.057831 5.296318 0.000000\n0.000000 0.000000 5.143382\nMg V Sb\n6 1 1\ndirect\n0.665834 0.330791 0.250000 Mg\n0.665834 0.835042 0.250000 Mg\n0.335945 0.177812 0.750000 Mg\n0.335945 0.658134 0.750000 Mg\n0.843854 0.171927 0.750000 Mg\n0.824833 0.662417 0.750000 Mg\n0.166468 0.333234 0.250000 V\n0.161293 0.830646 0.250000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"V",
"Sb"
],
"chemical_system": "Mg-Sb-V",
"density": 3.0663393646115074,
"density_atomic": 0.046377648120831734,
"volume": 172.49688856918536,
"volume_molar": 12.985006795320865,
"formula_full": "Mg6 V1 Sb1",
"formula_reduced": "Mg6VSb",
"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-108690",
"created_at": "2022-09-04T14:38:01.591334Z",
"updated_at": "2022-09-04T14:38:01.591361Z",
"structure_string": "Zr1 Mn1 F6\n1.0\n5.058241 -0.000000 2.920377\n1.686080 4.768955 2.920377\n-0.000000 -0.000000 5.840753\nZr Mn F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.745190 0.254810 0.254810 F\n0.254809 0.745191 0.745190 F\n0.254809 0.745191 0.254810 F\n0.745190 0.254810 0.745190 F\n0.254809 0.254810 0.745190 F\n0.745190 0.745191 0.254810 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"F"
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"chemical_system": "F-Mn-Zr",
"density": 3.0660939541577505,
"density_atomic": 0.05678039433832549,
"volume": 140.89370271597744,
"volume_molar": 10.606021374415132,
"formula_full": "Zr1 Mn1 F6",
"formula_reduced": "ZrMnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6976291795474139,
"spacegroup": 225
},
{
"id": "jvasp-46541",
"created_at": "2022-09-04T14:37:28.923239Z",
"updated_at": "2022-09-04T14:37:28.923261Z",
"structure_string": "Mn2 P4 O14\n1.0\n0.000000 4.810494 0.000012\n12.370946 0.000000 0.000000\n0.000000 -2.405209 -4.166022\nMn P O\n2 4 14\ndirect\n0.000016 0.989418 0.000026 Mn\n0.999983 0.489418 0.999974 Mn\n0.333317 0.366807 0.666636 P\n0.333346 0.112030 0.666686 P\n0.666682 0.866807 0.333365 P\n0.666653 0.612030 0.333314 P\n0.666640 0.739418 0.333326 O\n0.949579 0.899697 0.659391 O\n0.949543 0.579133 0.659340 O\n0.709800 0.579136 0.050434 O\n0.290185 0.399707 0.949524 O\n0.709814 0.899707 0.050476 O\n0.050420 0.399697 0.340609 O\n0.050456 0.079133 0.340660 O\n0.340670 0.899713 0.290247 O\n0.333359 0.239418 0.666674 O\n0.659329 0.399713 0.709753 O\n0.659368 0.079128 0.709826 O\n0.290199 0.079136 0.949566 O\n0.340631 0.579128 0.290174 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 3.066027271771344,
"density_atomic": 0.08067082039773446,
"volume": 247.92111821093707,
"volume_molar": 7.465079356214311,
"formula_full": "Mn2 P4 O14",
"formula_reduced": "MnP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.0362222741379306,
"spacegroup": 176
},
{
"id": "jvasp-3876",
"created_at": "2022-09-04T14:35:48.529374Z",
"updated_at": "2022-09-04T14:35:48.529395Z",
"structure_string": "Rb2 Zr1 Cl6\n1.0\n6.181936 -0.000000 3.569142\n2.060646 5.828385 3.569142\n0.000000 0.000000 7.138285\nRb Zr Cl\n2 1 6\ndirect\n0.750001 0.750001 0.749998 Rb\n0.250000 0.250000 0.249999 Rb\n0.000000 0.000000 0.000000 Zr\n0.245500 0.754501 0.754499 Cl\n0.245500 0.754501 0.245499 Cl\n0.754501 0.245500 0.754499 Cl\n0.754501 0.245500 0.245499 Cl\n0.754501 0.754501 0.245498 Cl\n0.245500 0.245500 0.754499 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Zr",
"Cl"
],
"chemical_system": "Cl-Rb-Zr",
"density": 3.0659436037356156,
"density_atomic": 0.034992573992263125,
"volume": 257.19742714525387,
"volume_molar": 17.209767881984043,
"formula_full": "Rb2 Zr1 Cl6",
"formula_reduced": "Rb2ZrCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1686976561111113,
"spacegroup": 225
},
{
"id": "jvasp-106225",
"created_at": "2022-09-04T14:36:57.334572Z",
"updated_at": "2022-09-04T14:36:57.334581Z",
"structure_string": "Rb3 Lu1 Cl6\n1.0\n6.843047 -0.000000 3.950835\n2.281016 6.451686 3.950835\n-0.000000 0.000000 7.901670\nRb Lu Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Lu\n0.771017 0.228984 0.228983 Cl\n0.228984 0.228984 0.771016 Cl\n0.228984 0.771017 0.771015 Cl\n0.228984 0.771017 0.228983 Cl\n0.771017 0.228984 0.771015 Cl\n0.771017 0.771017 0.228982 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Lu",
"Cl"
],
"chemical_system": "Cl-Lu-Rb",
"density": 3.065864394024863,
"density_atomic": 0.02866542378075784,
"volume": 348.8523343133923,
"volume_molar": 21.008378616898263,
"formula_full": "Rb3 Lu1 Cl6",
"formula_reduced": "Rb3LuCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-49951",
"created_at": "2022-09-04T14:38:11.817909Z",
"updated_at": "2022-09-04T14:38:11.817942Z",
"structure_string": "Na1 Ti1 S2\n1.0\n1.761241 1.016853 6.803924\n-1.761241 1.016853 6.803924\n0.000000 -2.033706 6.803924\nNa Ti S\n1 1 2\ndirect\n0.833796 0.833796 0.833800 Na\n0.002183 0.002183 0.002183 Ti\n0.405708 0.405708 0.405710 S\n0.598308 0.598308 0.598311 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ti",
"S"
],
"chemical_system": "Na-S-Ti",
"density": 3.065862231049848,
"density_atomic": 0.05471070686707902,
"volume": 73.11183183427143,
"volume_molar": 11.00724356318579,
"formula_full": "Na1 Ti1 S2",
"formula_reduced": "NaTiS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.355859333333333,
"spacegroup": 160
},
{
"id": "jvasp-92875",
"created_at": "2022-09-04T14:35:47.356740Z",
"updated_at": "2022-09-04T14:35:47.356768Z",
"structure_string": "Mg6 Cr1 Sb1\n1.0\n6.267605 0.009602 0.000000\n-3.125488 5.413502 0.000000\n0.000000 0.000000 5.097648\nMg Cr Sb\n6 1 1\ndirect\n0.667842 0.331536 0.250000 Mg\n0.667842 0.836304 0.250000 Mg\n0.334093 0.177987 0.750000 Mg\n0.334092 0.656105 0.750000 Mg\n0.841710 0.170855 0.750000 Mg\n0.824371 0.662186 0.750000 Mg\n0.166841 0.333420 0.250000 Cr\n0.163208 0.831603 0.250000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Sb"
],
"chemical_system": "Cr-Mg-Sb",
"density": 3.0655136250858375,
"density_atomic": 0.04621215893518396,
"volume": 173.1146127844969,
"volume_molar": 13.031507072514199,
"formula_full": "Mg6 Cr1 Sb1",
"formula_reduced": "Mg6CrSb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.198020975,
"spacegroup": 38
},
{
"id": "jvasp-110623",
"created_at": "2022-09-04T14:38:37.447342Z",
"updated_at": "2022-09-04T14:38:37.447373Z",
"structure_string": "Li3 Mn1 F6\n1.0\n4.938507 0.002462 0.073774\n-2.529876 4.241296 0.073774\n0.004807 0.008469 4.906199\nLi Mn F\n3 1 6\ndirect\n0.320842 0.679159 0.499999 Li\n0.000000 0.000000 0.500000 Li\n0.679159 0.320842 0.499999 Li\n0.000000 0.000000 0.000000 Mn\n0.681013 0.987826 0.275374 F\n0.318988 0.012174 0.724624 F\n0.987826 0.681013 0.275374 F\n0.704049 0.704049 0.772561 F\n0.012175 0.318988 0.724624 F\n0.295952 0.295952 0.227438 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.0654324975260954,
"density_atomic": 0.09728760763238443,
"volume": 102.78801425343373,
"volume_molar": 6.190038902750643,
"formula_full": "Li3 Mn1 F6",
"formula_reduced": "Li3MnF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.369499893637931,
"spacegroup": 12
},
{
"id": "jvasp-46885",
"created_at": "2022-09-04T14:38:06.844275Z",
"updated_at": "2022-09-04T14:38:06.844291Z",
"structure_string": "Li3 V1 F6\n1.0\n2.439937 4.225848 -0.007323\n-2.439937 4.225848 0.007323\n0.013487 0.000000 4.879504\nLi V F\n3 1 6\ndirect\n0.666683 0.666698 0.499997 Li\n0.333302 0.333318 0.499997 Li\n-0.000008 0.000008 0.500001 Li\n-0.000005 0.000005 -0.000003 V\n0.310521 -0.000008 0.259963 F\n0.000007 0.689480 0.259962 F\n0.310488 0.689512 0.740156 F\n0.689487 0.310514 0.259847 F\n-0.000029 0.310543 0.740036 F\n0.689458 0.000029 0.740037 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.0654035760564584,
"density_atomic": 0.09937982750121883,
"volume": 100.62404263961271,
"volume_molar": 6.059721486159898,
"formula_full": "Li3 V1 F6",
"formula_reduced": "Li3VF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.3641555895000001,
"spacegroup": 162
},
{
"id": "jvasp-8757",
"created_at": "2022-09-04T14:37:09.425625Z",
"updated_at": "2022-09-04T14:37:09.425657Z",
"structure_string": "H4 Br4\n1.0\n5.247532 0.000000 0.000000\n0.000000 5.397393 0.000000\n0.000000 0.000000 6.190164\nH Br\n4 4\ndirect\n0.940166 0.442629 0.750081 H\n0.440166 0.057371 0.249918 H\n0.559833 0.557371 0.250082 H\n0.059833 0.942629 0.749918 H\n0.257386 0.751841 0.750095 Br\n0.742614 0.251841 0.749904 Br\n0.757386 0.748158 0.249905 Br\n0.242614 0.248158 0.250095 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"H",
"Br"
],
"chemical_system": "Br-H",
"density": 3.065352410497358,
"density_atomic": 0.04562981360081039,
"volume": 175.32396844719784,
"volume_molar": 13.1978202073853,
"formula_full": "H4 Br4",
"formula_reduced": "HBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.7355670525000001,
"spacegroup": 62
},
{
"id": "jvasp-94079",
"created_at": "2022-09-04T14:36:16.785801Z",
"updated_at": "2022-09-04T14:36:16.785822Z",
"structure_string": "Mg6 V1 Sn1\n1.0\n6.293028 0.115789 0.000000\n-3.046238 5.276238 0.000000\n0.000000 0.000000 5.093258\nMg V Sn\n6 1 1\ndirect\n0.664104 0.330365 0.250000 Mg\n0.664104 0.833738 0.250000 Mg\n0.335382 0.177531 0.750000 Mg\n0.335382 0.657852 0.750000 Mg\n0.846406 0.173204 0.750000 Mg\n0.829435 0.664718 0.750000 Mg\n0.162585 0.331292 0.250000 V\n0.162602 0.831300 0.250000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"V",
"Sn"
],
"chemical_system": "Mg-Sn-V",
"density": 3.065166710024417,
"density_atomic": 0.04680810858833151,
"volume": 170.91055890248614,
"volume_molar": 12.865593038513035,
"formula_full": "Mg6 V1 Sn1",
"formula_reduced": "Mg6VSn",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00066625,
"spacegroup": 38
},
{
"id": "jvasp-107308",
"created_at": "2022-09-04T14:37:00.814445Z",
"updated_at": "2022-09-04T14:37:00.814471Z",
"structure_string": "Na5 Br4 Cl1\n1.0\n4.120071 -0.002870 -14.407379\n-0.083715 4.119222 -14.407379\n0.002815 0.002870 14.984911\nNa Br Cl\n5 4 1\ndirect\n0.800144 0.800143 0.000000 Na\n0.199856 0.199856 0.000000 Na\n0.596188 0.596187 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.403813 0.403812 0.000000 Na\n0.901450 0.901449 0.000000 Br\n0.301165 0.301165 0.000000 Br\n0.698836 0.698835 0.000000 Br\n0.098551 0.098551 0.000000 Br\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 10,
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"elements": [
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"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 3.0648807568131016,
"density_atomic": 0.039269026650563844,
"volume": 254.65362533645623,
"volume_molar": 15.33559976820442,
"formula_full": "Na5 Br4 Cl1",
"formula_reduced": "Na5Br4Cl",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 139
}
]
}