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{
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"results": [
{
"id": "jvasp-66305",
"created_at": "2022-09-04T14:36:04.967681Z",
"updated_at": "2022-09-04T14:36:04.967719Z",
"structure_string": "Ba4 Si1 Ge1\n1.0\n-0.000000 4.864083 4.864083\n4.864083 -0.000000 4.864083\n4.864083 4.864083 0.000000\nBa Si Ge\n4 1 1\ndirect\n0.124676 0.625108 0.625108 Ba\n0.625108 0.625108 0.625108 Ba\n0.625108 0.124676 0.625108 Ba\n0.625108 0.625108 0.124676 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
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"elements": [
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"Si",
"Ge"
],
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"density": 4.6897739454961975,
"density_atomic": 0.02606863693220611,
"volume": 230.16163122005773,
"volume_molar": 23.101095679306635,
"formula_full": "Ba4 Si1 Ge1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-116507",
"created_at": "2022-09-04T14:38:42.474699Z",
"updated_at": "2022-09-04T14:38:42.474718Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.667234 -0.008838 3.994169\n8.203562 2.796888 3.994169\n0.031573 0.005218 9.481292\nLi Mn Co O\n8 2 4 14\ndirect\n0.360226 0.360227 0.074462 Li\n0.057929 0.057929 0.229553 Li\n0.798990 0.798992 0.353963 Li\n0.495625 0.495627 0.494578 Li\n0.216098 0.216099 0.640309 Li\n0.928105 0.928108 0.779252 Li\n0.642642 0.642645 0.923614 Li\n0.428561 0.428562 0.295009 Li\n0.997111 0.997112 0.006748 Mn\n0.713926 0.713927 0.142833 Mn\n0.572519 0.572520 0.712468 Co\n0.284639 0.284641 0.857398 Co\n0.143570 0.143571 0.428087 Co\n0.857991 0.857993 0.568053 Co\n0.813530 0.813532 0.963210 O\n0.472013 0.472015 0.891128 O\n0.183104 0.183104 0.040859 O\n0.900019 0.900020 0.160741 O\n0.614964 0.614965 0.321646 O\n0.323731 0.323732 0.477964 O\n0.045413 0.045414 0.608744 O\n0.756525 0.756527 0.755739 O\n0.244619 0.244619 0.245436 O\n0.958572 0.958573 0.407176 O\n0.670801 0.670802 0.531374 O\n0.383440 0.383441 0.680884 O\n0.101482 0.101483 0.816204 O\n0.533831 0.533832 0.092573 O\n",
"nsites": 28,
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"elements": [
"Li",
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
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"density_atomic": 0.1216531188259732,
"volume": 230.16261539545454,
"volume_molar": 4.950255955718465,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5553188243842366,
"spacegroup": 8
},
{
"id": "jvasp-12731",
"created_at": "2022-09-04T14:37:06.843280Z",
"updated_at": "2022-09-04T14:37:06.843295Z",
"structure_string": "Na2 Mn2 Cl6\n1.0\n5.845374 -0.008193 4.261165\n2.162413 5.430694 4.261164\n-0.012099 -0.008192 7.233655\nNa Mn Cl\n2 2 6\ndirect\n0.853211 0.853213 0.853213 Na\n0.146787 0.146787 0.146787 Na\n0.659031 0.659032 0.659032 Mn\n0.340967 0.340968 0.340968 Mn\n0.931959 0.551684 0.282655 Cl\n0.282655 0.931960 0.551685 Cl\n0.448315 0.717344 0.068040 Cl\n0.068039 0.448316 0.717345 Cl\n0.717344 0.068040 0.448316 Cl\n0.551683 0.282656 0.931961 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Mn",
"Cl"
],
"chemical_system": "Cl-Mn-Na",
"density": 2.6590913217388894,
"density_atomic": 0.04344701030647155,
"volume": 230.16543438687364,
"volume_molar": 13.860886439642973,
"formula_full": "Na2 Mn2 Cl6",
"formula_reduced": "NaMnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.5597605627298852,
"spacegroup": 148
},
{
"id": "jvasp-119422",
"created_at": "2022-09-04T14:38:51.312643Z",
"updated_at": "2022-09-04T14:38:51.312660Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.840785 -0.014689 -0.066511\n-1.477194 8.490738 -4.071832\n0.227597 0.115164 9.489633\nLi Mn Co O\n8 2 4 14\ndirect\n0.925715 0.851161 0.218746 Li\n0.215945 0.431643 0.360786 Li\n0.509787 0.019225 0.514217 Li\n0.775411 0.550401 0.637633 Li\n0.076609 0.153653 0.778764 Li\n0.351739 0.703082 0.926957 Li\n0.647376 0.295271 0.067763 Li\n0.142827 0.285327 0.580144 Li\n0.998053 0.996090 0.996763 Mn\n0.575341 0.150805 0.295313 Mn\n0.428194 0.856551 0.713681 Co\n0.712882 0.425563 0.850939 Co\n0.286244 0.572550 0.142258 Co\n0.857155 0.714437 0.429145 Co\n0.814654 0.628952 0.038659 O\n0.468371 0.937118 0.100705 O\n0.758224 0.516959 0.246774 O\n0.037456 0.075418 0.378469 O\n0.329777 0.660094 0.535107 O\n0.612244 0.224486 0.690140 O\n0.899109 0.798758 0.819873 O\n0.187011 0.374293 0.963279 O\n0.385639 0.771026 0.325262 O\n0.672059 0.344214 0.445118 O\n0.955788 0.911323 0.610535 O\n0.247115 0.493640 0.760790 O\n0.529821 0.059223 0.897292 O\n0.099509 0.198731 0.174890 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509868808651514,
"density_atomic": 0.12164760532472922,
"volume": 230.17304718211332,
"volume_molar": 4.9504803188886,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.555560252955665,
"spacegroup": 8
},
{
"id": "jvasp-34547",
"created_at": "2022-09-04T14:37:13.612063Z",
"updated_at": "2022-09-04T14:37:13.612095Z",
"structure_string": "Sr4 Li2 Si2 O8 F2\n1.0\n0.000000 6.576125 0.015723\n5.429618 0.000000 0.000000\n0.000000 -2.657561 -6.452864\nSr Li Si O F\n4 2 2 8 2\ndirect\n0.839351 0.250000 0.627315 Sr\n0.635469 0.750000 0.900093 Sr\n0.160650 0.750000 0.372685 Sr\n0.364532 0.250000 0.099906 Sr\n0.851862 0.250000 0.119606 Li\n0.148139 0.750000 0.880394 Li\n0.655186 0.750000 0.335166 Si\n0.344815 0.250000 0.664834 Si\n0.221497 0.494063 0.710678 O\n0.778504 0.994063 0.289322 O\n0.221497 0.005937 0.710678 O\n0.596820 0.250000 0.845592 O\n0.778504 0.505937 0.289322 O\n0.403181 0.750000 0.154407 O\n0.341776 0.250000 0.430232 O\n0.658225 0.750000 0.569767 O\n0.000000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Si",
"O",
"F"
],
"chemical_system": "F-Li-O-Si-Sr",
"density": 4.2312787350604415,
"density_atomic": 0.07820031637621609,
"volume": 230.17809689417746,
"volume_molar": 7.700916107586974,
"formula_full": "Sr4 Li2 Si2 O8 F2",
"formula_reduced": "Sr2LiSiO4F",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 1.243172833611111,
"spacegroup": 11
},
{
"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,
"nelements": 4,
"elements": [
"Li",
"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",
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"spacegroup": 8
},
{
"id": "jvasp-21846",
"created_at": "2022-09-04T14:37:37.228260Z",
"updated_at": "2022-09-04T14:37:37.228280Z",
"structure_string": "Sm4 Cd2 Pd4\n1.0\n7.763739 0.000000 0.000000\n-0.000000 7.763739 0.000000\n0.000000 -0.000000 3.818958\nSm Cd Pd\n4 2 4\ndirect\n0.326974 0.826974 0.500000 Sm\n0.826974 0.673026 0.500000 Sm\n0.173026 0.326974 0.500000 Sm\n0.673026 0.173026 0.500000 Sm\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.371977 0.128023 0.000000 Pd\n0.871977 0.371977 0.000000 Pd\n0.128023 0.628023 0.000000 Pd\n0.628023 0.871977 0.000000 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Cd",
"Pd"
],
"chemical_system": "Cd-Pd-Sm",
"density": 9.031223098885109,
"density_atomic": 0.04344234537641888,
"volume": 230.19015003338518,
"volume_molar": 13.86237485066564,
"formula_full": "Sm4 Cd2 Pd4",
"formula_reduced": "Sm2CdPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7945197800000001,
"spacegroup": 127
},
{
"id": "jvasp-118991",
"created_at": "2022-09-04T14:38:52.409035Z",
"updated_at": "2022-09-04T14:38:52.409062Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.827432 0.035946 -0.187317\n-0.055301 4.978128 0.090787\n-0.346663 0.314301 16.380651\nLi Mn Co O\n8 2 4 14\ndirect\n0.925205 0.357853 0.850333 Li\n0.352072 0.228493 0.703645 Li\n0.784313 0.070256 0.567673 Li\n0.217209 0.924291 0.434338 Li\n0.646942 0.789647 0.294076 Li\n0.074188 0.638359 0.148858 Li\n0.500917 0.493495 0.002184 Li\n0.285125 0.573095 0.569976 Li\n0.000391 -0.002436 0.000992 Mn\n0.428183 0.852607 0.856803 Mn\n0.142996 0.287606 0.285849 Co\n0.571872 0.138732 0.143869 Co\n0.854603 0.714983 0.709492 Co\n0.716164 0.434097 0.431789 Co\n0.534564 0.837319 0.068857 O\n0.465658 0.156031 0.932051 O\n0.895941 0.011569 0.792763 O\n0.325299 0.877510 0.651322 O\n0.746528 0.733908 0.492569 O\n0.179221 0.577982 0.358452 O\n0.607650 0.433358 0.215674 O\n0.036580 0.291163 0.073763 O\n0.392816 0.564446 0.785528 O\n0.824189 0.416848 0.648425 O\n0.245916 0.269437 0.490789 O\n0.676045 0.143078 0.351461 O\n0.105521 -0.007440 0.210667 O\n0.963901 0.693727 0.927801 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509465616393132,
"density_atomic": 0.1216367297594304,
"volume": 230.19362700212005,
"volume_molar": 4.950922942363229,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5586745386699508,
"spacegroup": 8
},
{
"id": "jvasp-11667",
"created_at": "2022-09-04T14:38:13.729366Z",
"updated_at": "2022-09-04T14:38:13.729385Z",
"structure_string": "Sr4 Mn4 O10\n1.0\n3.816492 0.000000 0.000000\n0.000000 5.538927 0.000000\n0.000000 -0.000000 10.889500\nSr Mn O\n4 4 10\ndirect\n0.000000 0.215138 0.866815 Sr\n0.000000 0.784862 0.133185 Sr\n0.000000 0.715139 0.633185 Sr\n0.000000 0.284862 0.366815 Sr\n0.500000 0.239592 0.623746 Mn\n0.500000 0.760408 0.376254 Mn\n0.500000 0.739592 0.876254 Mn\n0.500000 0.260408 0.123746 Mn\n0.000000 0.798071 0.398778 O\n0.000000 0.201930 0.601222 O\n0.500000 0.528987 0.233351 O\n0.500000 0.471014 0.766649 O\n0.500000 0.500000 0.500000 O\n0.500000 0.971014 0.733351 O\n0.500000 0.000000 0.000000 O\n0.000000 0.298071 0.101222 O\n0.500000 0.028987 0.266649 O\n0.000000 0.701930 0.898778 O\n",
"nsites": 18,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.2675487016874385,
"density_atomic": 0.07819420491719833,
"volume": 230.19608702538275,
"volume_molar": 7.701517991489248,
"formula_full": "Sr4 Mn4 O10",
"formula_reduced": "Sr2Mn2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.2748849558620687,
"spacegroup": 55
},
{
"id": "jvasp-122012",
"created_at": "2022-09-04T14:38:53.603510Z",
"updated_at": "2022-09-04T14:38:53.603537Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.817996 0.071958 0.358569\n1.093191 7.385841 1.222430\n0.023921 -0.020669 11.102129\nLi Mn Co O\n8 2 4 14\ndirect\n0.776959 0.366577 0.079895 Li\n0.942999 0.779316 0.333701 Li\n0.068258 0.219114 0.644556 Li\n0.209015 0.634044 0.947834 Li\n0.357558 0.070259 0.214376 Li\n0.503516 0.498801 0.493556 Li\n0.640907 0.929352 0.789414 Li\n0.577011 0.702663 0.142983 Li\n0.000663 0.993420 0.005629 Mn\n0.286598 0.857431 0.569390 Mn\n0.713268 0.143858 0.429615 Co\n0.856889 0.572691 0.713546 Co\n0.141110 0.433443 0.284094 Co\n0.428131 0.287481 0.856404 Co\n0.884264 0.689363 0.542527 O\n0.403903 0.169075 0.022978 O\n0.545277 0.589560 0.319195 O\n0.686840 0.024617 0.601293 O\n0.833024 0.454650 0.878987 O\n0.962520 0.909590 0.165609 O\n0.117757 0.307218 0.456813 O\n0.259949 0.741976 0.737737 O\n0.179304 0.523519 0.117820 O\n0.311827 0.973672 0.403212 O\n0.452310 0.406973 0.688845 O\n0.598012 0.839445 0.965315 O\n0.736830 0.261097 0.265491 O\n0.025312 0.120795 0.829187 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509338249570783,
"density_atomic": 0.12163329421183601,
"volume": 230.2001288498799,
"volume_molar": 4.951062781800406,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5554138243842366,
"spacegroup": 8
},
{
"id": "jvasp-22774",
"created_at": "2022-09-04T14:37:38.935677Z",
"updated_at": "2022-09-04T14:37:38.935713Z",
"structure_string": "Al12 Tc2\n1.0\n5.061767 0.011353 -0.000000\n-0.721270 5.010128 0.000000\n-0.000000 0.000000 9.074344\nAl Tc\n12 2\ndirect\n0.324000 0.676001 0.000000 Al\n0.676001 0.323999 0.500000 Al\n0.676001 0.323999 0.000000 Al\n0.324000 0.676001 0.500000 Al\n0.131085 0.131085 0.601439 Al\n0.868915 0.868914 0.101439 Al\n0.131085 0.131085 0.898561 Al\n0.868915 0.868914 0.398561 Al\n0.392521 0.031082 0.250000 Al\n0.607479 0.968917 0.750000 Al\n0.031083 0.392521 0.250000 Al\n0.968918 0.607479 0.750000 Al\n0.546287 0.546286 0.250000 Tc\n0.453714 0.453713 0.750000 Tc\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Al-Tc",
"density": 3.7493929634110117,
"density_atomic": 0.060816527261656324,
"volume": 230.2005824792751,
"volume_molar": 9.902145076601318,
"formula_full": "Al12 Tc2",
"formula_reduced": "Al6Tc",
"formula_anonymous": "AB6",
"energy_above_hull": 2.501206900000001,
"spacegroup": 63
},
{
"id": "jvasp-91924",
"created_at": "2022-09-04T14:35:49.049529Z",
"updated_at": "2022-09-04T14:35:49.049562Z",
"structure_string": "Tm2 Ag2 Te4\n1.0\n0.000000 0.000000 4.635851\n7.046762 0.000000 -0.000000\n0.000000 7.046762 0.000000\nTm Ag Te\n2 2 4\ndirect\n0.809587 0.000000 0.500000 Tm\n0.190413 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.294616 0.202095 0.702095 Te\n0.705383 0.297905 0.202095 Te\n0.294616 0.797905 0.297905 Te\n0.705383 0.702095 0.797905 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ag-Te-Tm",
"density": 7.675099536187898,
"density_atomic": 0.034752120592767284,
"volume": 230.2017794466616,
"volume_molar": 17.328843987878386,
"formula_full": "Tm2 Ag2 Te4",
"formula_reduced": "TmAgTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4989992608333334,
"spacegroup": 113
}
]
}