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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=306",
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"results": [
{
"id": "jvasp-116750",
"created_at": "2022-09-04T14:38:44.347156Z",
"updated_at": "2022-09-04T14:38:44.347178Z",
"structure_string": "Sr2 Al1 Tl1 Co2 O7\n1.0\n3.682193 0.065387 -0.264096\n-0.112015 3.681661 0.255976\n0.181497 -0.144245 12.114540\nSr Al Tl Co O\n2 1 1 2 7\ndirect\n0.464398 0.535868 0.796568 Sr\n0.544015 0.455794 0.217981 Sr\n0.446678 0.553180 0.511497 Al\n0.003650 0.996415 0.004529 Tl\n0.935380 0.064859 0.629997 Co\n0.062638 0.937061 0.368670 Co\n0.428054 0.079952 0.592431 O\n0.920353 0.572244 0.592377 O\n0.574835 0.883523 0.394314 O\n0.116183 0.424824 0.394329 O\n0.963181 0.037077 0.792689 O\n0.040155 0.959661 0.202393 O\n0.500490 0.499552 0.002230 O\n",
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"elements": [
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],
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"density_atomic": 0.07896411737047129,
"volume": 164.63173949008595,
"volume_molar": 7.62642699056114,
"formula_full": "Sr2 Al1 Tl1 Co2 O7",
"formula_reduced": "Sr2AlTlCo2O7",
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{
"id": "jvasp-105379",
"created_at": "2022-09-04T14:38:44.486826Z",
"updated_at": "2022-09-04T14:38:44.486845Z",
"structure_string": "Ti2 As4 W3\n1.0\n5.138373 0.006772 4.746829\n4.036793 3.179186 4.746829\n-0.017608 -0.006114 9.549376\nTi As W\n2 4 3\ndirect\n0.998524 0.998527 0.002650 Ti\n0.632213 0.632217 0.669813 Ti\n0.713852 0.713855 0.340519 As\n0.279073 0.279076 0.667234 As\n0.053349 0.053350 0.237143 As\n0.946855 0.946860 0.768013 As\n0.374100 0.374102 0.318283 W\n0.306305 0.306306 0.060660 W\n0.695712 0.695716 0.935691 W\n",
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],
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"density_atomic": 0.057680037200188085,
"volume": 156.03318646907275,
"volume_molar": 10.440597912756484,
"formula_full": "Ti2 As4 W3",
"formula_reduced": "Ti2As4W3",
"formula_anonymous": "A2B3C4",
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"spacegroup": 8
},
{
"id": "jvasp-115484",
"created_at": "2022-09-04T14:38:44.648602Z",
"updated_at": "2022-09-04T14:38:44.648628Z",
"structure_string": "B1 I3\n1.0\n6.919813 -1.643810 -0.446321\n4.579712 -5.122870 0.774838\n3.659045 -2.098778 -5.479560\nB I\n1 3\ndirect\n0.180964 0.233328 0.005784 B\n0.161974 0.939348 0.007822 I\n0.163614 0.248918 0.318328 I\n0.206435 0.520980 0.692781 I\n",
"nsites": 4,
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"elements": [
"B",
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],
"chemical_system": "B-I",
"density": 4.180656369297765,
"density_atomic": 0.025721513643353316,
"volume": 155.51184333328058,
"volume_molar": 23.412855260002083,
"formula_full": "B1 I3",
"formula_reduced": "BI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8690903520833333,
"spacegroup": 8
},
{
"id": "jvasp-111959",
"created_at": "2022-09-04T14:38:44.884480Z",
"updated_at": "2022-09-04T14:38:44.884506Z",
"structure_string": "Fe3 Co3 Sb2 O16\n1.0\n5.668147 -0.000688 0.094492\n2.850173 4.899428 0.094492\n-0.154641 -0.088931 9.177853\nFe Co Sb O\n3 3 2 16\ndirect\n0.167813 0.167813 0.214082 Fe\n0.336665 0.831338 0.714045 Fe\n0.831338 0.336665 0.714045 Fe\n0.169136 0.662818 0.213751 Co\n0.662819 0.169136 0.213751 Co\n0.831275 0.831275 0.714134 Co\n0.336210 0.336210 0.490168 Sb\n0.670476 0.670476 0.993926 Sb\n0.319238 0.843191 0.102571 O\n0.666235 0.666235 0.610269 O\n0.969188 0.514238 0.832570 O\n0.514238 0.969188 0.832570 O\n0.162125 0.162125 0.602908 O\n0.846306 0.846305 0.098244 O\n0.485702 0.029710 0.332999 O\n0.001882 0.001882 0.311306 O\n0.685356 0.160519 0.601824 O\n0.000671 0.000671 0.812118 O\n0.516087 0.516087 0.834962 O\n0.331390 0.331390 0.110809 O\n0.485371 0.485371 0.331549 O\n0.160519 0.685356 0.601824 O\n0.029709 0.485702 0.332999 O\n0.843191 0.319238 0.102571 O\n",
"nsites": 24,
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"elements": [
"Fe",
"Co",
"Sb",
"O"
],
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"density": 5.495297509198574,
"density_atomic": 0.09412189883640565,
"volume": 254.98848086049213,
"volume_molar": 6.398235516335207,
"formula_full": "Fe3 Co3 Sb2 O16",
"formula_reduced": "Fe3Co3(SbO8)2",
"formula_anonymous": "A2B3C3D16",
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"spacegroup": 8
},
{
"id": "jvasp-115087",
"created_at": "2022-09-04T14:38:44.551537Z",
"updated_at": "2022-09-04T14:38:44.551571Z",
"structure_string": "Hf1 Mg1 O3\n1.0\n2.737343 -2.795225 -0.135465\n2.737343 2.795225 -0.135465\n-1.040455 0.000000 4.896034\nHf Mg O\n1 1 3\ndirect\n0.030215 0.030215 0.015601 Hf\n0.445393 0.445393 0.712976 Mg\n0.494857 -0.021725 0.880886 O\n-0.021725 0.494857 0.880886 O\n0.164614 0.164614 0.396301 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 5.617407687499641,
"density_atomic": 0.0674436543975663,
"volume": 74.13595904109883,
"volume_molar": 8.929143614461836,
"formula_full": "Hf1 Mg1 O3",
"formula_reduced": "HfMgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8887285099999995,
"spacegroup": 8
},
{
"id": "jvasp-116719",
"created_at": "2022-09-04T14:38:44.620945Z",
"updated_at": "2022-09-04T14:38:44.620979Z",
"structure_string": "Al16 V10\n1.0\n7.573287 -0.011469 2.568369\n-3.798372 6.551884 2.568369\n0.001628 0.002821 7.927644\nAl V\n16 10\ndirect\n0.642106 0.382175 0.350652 Al\n0.356405 0.356404 0.998873 Al\n0.002469 0.647528 0.353911 Al\n0.644814 0.644813 0.998884 Al\n0.007690 0.742409 0.646701 Al\n0.245620 0.245619 0.414795 Al\n0.742410 0.007690 0.646700 Al\n0.610307 0.253824 0.736373 Al\n0.647529 0.002469 0.353911 Al\n0.357709 0.008760 0.261713 Al\n0.008760 0.357709 0.261713 Al\n0.764262 0.349735 0.983462 Al\n0.253825 0.610306 0.736373 Al\n0.382176 0.642105 0.350652 Al\n0.654709 0.654709 0.597631 Al\n0.349735 0.764261 0.983462 Al\n0.004608 0.200665 0.004069 V\n0.791288 0.791287 0.205695 V\n0.342585 0.003012 0.645339 V\n0.003012 0.342584 0.645339 V\n0.990945 0.660386 0.007036 V\n0.660387 0.990944 0.007036 V\n0.340781 0.340780 0.667290 V\n0.200666 0.004608 0.004069 V\n0.002132 0.002132 0.333270 V\n0.993079 0.993078 0.805051 V\n",
"nsites": 26,
"nelements": 2,
"elements": [
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"V"
],
"chemical_system": "Al-V",
"density": 3.9774251485254197,
"density_atomic": 0.06617309376461125,
"volume": 392.9089380721165,
"volume_molar": 9.100588195893879,
"formula_full": "Al16 V10",
"formula_reduced": "Al8V5",
"formula_anonymous": "A5B8",
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"spacegroup": 8
},
{
"id": "jvasp-112849",
"created_at": "2022-09-04T14:38:44.623489Z",
"updated_at": "2022-09-04T14:38:44.623516Z",
"structure_string": "Li5 Mn7 O15\n1.0\n5.572635 0.093730 1.622482\n2.471629 4.995408 1.622482\n0.054592 0.034537 9.857235\nLi Mn O\n5 7 15\ndirect\n0.816998 0.816997 0.069218 Li\n0.244262 0.244262 0.239099 Li\n0.300956 0.300956 0.589600 Li\n0.683350 0.683350 0.433995 Li\n0.185232 0.185233 0.934087 Li\n0.247078 0.746522 0.751633 Mn\n0.746826 0.746826 0.751676 Mn\n0.746521 0.247079 0.751633 Mn\n-0.000341 -0.000340 0.495541 Mn\n0.767754 0.248459 0.241115 Mn\n0.248459 0.767755 0.241115 Mn\n0.494112 0.494111 0.005180 Mn\n0.615055 0.615055 0.645693 O\n0.840153 0.392359 0.868402 O\n0.653449 0.101045 0.633060 O\n0.878791 0.878792 0.857547 O\n0.101044 0.653450 0.633060 O\n0.102375 0.102376 0.631437 O\n0.614359 0.164273 0.131561 O\n0.872888 0.335268 0.377309 O\n0.116486 0.116486 0.133620 O\n0.335267 0.872888 0.377309 O\n0.164272 0.614359 0.131561 O\n0.392358 0.840153 0.868402 O\n0.604940 0.604940 0.137261 O\n0.892360 0.892360 0.365483 O\n0.391568 0.391569 0.870441 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.032007655091037,
"density_atomic": 0.09944381192547996,
"volume": 271.51010683533474,
"volume_molar": 6.055822522685274,
"formula_full": "Li5 Mn7 O15",
"formula_reduced": "Li5Mn7O15",
"formula_anonymous": "A5B7C15",
"energy_above_hull": 3.215272710727969,
"spacegroup": 8
},
{
"id": "jvasp-120533",
"created_at": "2022-09-04T14:38:45.101979Z",
"updated_at": "2022-09-04T14:38:45.102006Z",
"structure_string": "Dy4 Cd1 S7\n1.0\n6.402156 -0.007401 1.665971\n5.262708 3.645760 1.665971\n0.048754 0.015207 11.586641\nDy Cd S\n4 1 7\ndirect\n0.700558 0.700558 0.190856 Dy\n0.314893 0.314895 0.790993 Dy\n0.006576 0.006576 0.002489 Dy\n0.110720 0.110721 0.571620 Dy\n0.882434 0.882435 0.419370 Cd\n0.735243 0.735244 0.646077 S\n0.254235 0.254236 0.349027 S\n0.345890 0.345890 0.047200 S\n0.666116 0.666118 0.945378 S\n0.040896 0.040896 0.219840 S\n0.964900 0.964902 0.788257 S\n0.477535 0.477536 0.528893 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Dy",
"Cd",
"S"
],
"chemical_system": "Cd-Dy-S",
"density": 6.056665458463754,
"density_atomic": 0.0443514219029169,
"volume": 270.56629720389606,
"volume_molar": 13.57823605561547,
"formula_full": "Dy4 Cd1 S7",
"formula_reduced": "Dy4CdS7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.5649188125000002,
"spacegroup": 8
},
{
"id": "jvasp-112916",
"created_at": "2022-09-04T14:38:45.213340Z",
"updated_at": "2022-09-04T14:38:45.213376Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.817033 0.061830 0.367452\n1.108212 7.375255 1.277391\n-0.009234 -0.114600 11.097054\nLi Mn Co O\n8 2 4 14\ndirect\n0.772284 0.362865 0.093254 Li\n0.937015 0.775271 0.350376 Li\n0.069719 0.217033 0.643288 Li\n0.218085 0.633685 0.930110 Li\n0.352362 0.075098 0.220528 Li\n0.504148 0.510271 0.481315 Li\n0.648081 0.924265 0.779177 Li\n0.137456 0.439620 0.285826 Li\n0.001029 0.998168 -0.000269 Mn\n0.711999 0.151217 0.424626 Mn\n0.573889 0.709052 0.143338 Co\n0.858418 0.569056 0.714087 Co\n0.286069 0.856073 0.571730 Co\n0.428097 0.285357 0.858488 Co\n0.881658 0.689283 0.547725 O\n0.402380 0.166319 0.028511 O\n0.535402 0.619785 0.309445 O\n0.688431 0.023258 0.599453 O\n0.833925 0.449946 0.881915 O\n0.974927 0.885218 0.164671 O\n0.114817 0.304966 0.464884 O\n0.262160 0.736413 0.738900 O\n0.168829 0.554543 0.108322 O\n0.309272 0.976194 0.405527 O\n0.453050 0.401675 0.692525 O\n0.599686 0.833884 0.967069 O\n0.750055 0.235843 0.263942 O\n0.026753 0.115636 0.831234 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509619672236252,
"density_atomic": 0.12164088520722656,
"volume": 230.185763218505,
"volume_molar": 4.950753810892384,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.555177395812808,
"spacegroup": 8
},
{
"id": "jvasp-112908",
"created_at": "2022-09-04T14:38:45.474383Z",
"updated_at": "2022-09-04T14:38:45.474419Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n4.875449 0.021432 0.928994\n4.046718 2.719290 0.928994\n-0.161598 -0.049640 9.873243\nLi Mn Co O\n5 1 2 8\ndirect\n0.762397 0.762395 0.859642 Li\n0.246525 0.246525 0.630730 Li\n0.749135 0.749134 0.379805 Li\n0.249567 0.249567 0.129134 Li\n0.497041 0.497040 0.742213 Li\n0.004581 0.004581 0.988276 Mn\n-0.002288 -0.002288 0.506005 Co\n0.499065 0.499063 0.252057 Co\n0.120772 0.120772 0.830395 O\n0.611017 0.611016 0.554170 O\n0.107708 0.107708 0.315413 O\n0.606389 0.606387 0.068753 O\n0.385494 0.385493 0.949161 O\n0.879316 0.879314 0.673955 O\n0.391292 0.391291 0.433938 O\n0.891997 0.891995 0.186343 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.269630729398897,
"density_atomic": 0.12262038528104273,
"volume": 130.4840134316037,
"volume_molar": 4.9112068488428005,
"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.502780440086207,
"spacegroup": 8
},
{
"id": "jvasp-115267",
"created_at": "2022-09-04T14:38:45.958519Z",
"updated_at": "2022-09-04T14:38:45.958542Z",
"structure_string": "Nb1 O3\n1.0\n3.695428 -1.020156 0.172465\n1.534203 -4.397053 0.411126\n1.296528 -0.946513 -2.944093\nNb O\n1 3\ndirect\n0.888181 0.774174 -0.036049 Nb\n0.240130 0.860847 0.242626 O\n0.515323 0.264888 0.896385 O\n0.868029 0.547981 0.574901 O\n",
"nsites": 4,
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"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 5.215998408589901,
"density_atomic": 0.08917091731530519,
"volume": 44.85767468171424,
"volume_molar": 6.753480777489285,
"formula_full": "Nb1 O3",
"formula_reduced": "NbO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.684204975,
"spacegroup": 8
},
{
"id": "jvasp-116821",
"created_at": "2022-09-04T14:38:45.891398Z",
"updated_at": "2022-09-04T14:38:45.891414Z",
"structure_string": "Li6 Mn6 O6 F10\n1.0\n5.125403 0.001523 2.710348\n-1.927182 9.762333 -2.550601\n0.073931 -0.000626 6.059675\nLi Mn O F\n6 6 6 10\ndirect\n0.183644 0.568078 0.199397 Li\n0.676767 0.065978 0.713250 Li\n0.883531 0.613783 0.843712 Li\n0.379674 0.110865 0.351545 Li\n-0.001223 0.014926 0.018763 Li\n0.503686 0.517810 0.511802 Li\n0.937107 0.311824 0.438007 Mn\n0.921320 0.307421 0.944226 Mn\n0.422157 0.807593 0.443976 Mn\n0.437763 0.812324 0.937055 Mn\n0.441972 0.307481 0.944237 Mn\n0.942288 0.808081 0.442234 Mn\n0.078836 0.695984 0.532235 O\n0.577441 0.196684 0.041542 O\n0.310377 0.903881 0.279971 O\n0.567880 0.720978 0.590635 O\n0.071190 0.216804 0.075013 O\n0.804722 0.408499 0.798664 O\n0.315840 0.450591 0.307970 F\n0.301553 0.429493 0.826731 F\n0.799895 0.931269 0.335396 F\n0.557019 0.685543 0.041491 F\n0.052126 0.174305 0.562569 F\n0.088212 0.685737 0.038099 F\n0.560454 0.174183 0.561941 F\n0.826866 0.450109 0.306888 F\n0.320163 0.939891 0.829920 F\n0.788737 0.939869 0.832727 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.6228028788598485,
"density_atomic": 0.09294369550413176,
"volume": 301.2576576402138,
"volume_molar": 6.479342926204489,
"formula_full": "Li6 Mn6 O6 F10",
"formula_reduced": "Li3Mn3O3F5",
"formula_anonymous": "A3B3C3D5",
"energy_above_hull": 1.7081681169027094,
"spacegroup": 8
}
]
}