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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=312",
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"results": [
{
"id": "jvasp-123598",
"created_at": "2022-09-04T14:38:52.023334Z",
"updated_at": "2022-09-04T14:38:52.023359Z",
"structure_string": "P3 O1\n1.0\n2.937692 0.000000 -0.940686\n0.216155 3.772000 0.675036\n0.296317 0.780454 5.982815\nP O\n3 1\ndirect\n0.643229 0.030473 0.286456 P\n0.094909 0.434809 0.189815 P\n0.876070 0.659690 0.752139 P\n0.385797 0.875025 0.771592 O\n",
"nsites": 4,
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"elements": [
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"O"
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"density": 2.7554202587440493,
"density_atomic": 0.06093802478198367,
"volume": 65.64046035805545,
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"formula_full": "P3 O1",
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},
{
"id": "jvasp-123603",
"created_at": "2022-09-04T14:38:52.029950Z",
"updated_at": "2022-09-04T14:38:52.029965Z",
"structure_string": "Pm1 P3\n1.0\n3.552892 -0.000000 -1.137680\n-0.043036 4.107199 -0.134400\n-0.137364 -0.203625 5.687569\nPm P\n1 3\ndirect\n0.338616 -0.017603 0.677232 Pm\n0.620420 0.079060 0.240840 P\n0.121840 0.440699 0.243680 P\n0.919124 0.497841 0.838249 P\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "P-Pm",
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"density_atomic": 0.04863433703670104,
"volume": 82.24641773119002,
"volume_molar": 12.382487614574654,
"formula_full": "Pm1 P3",
"formula_reduced": "PmP3",
"formula_anonymous": "AB3",
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"spacegroup": 8
},
{
"id": "jvasp-123607",
"created_at": "2022-09-04T14:38:52.085856Z",
"updated_at": "2022-09-04T14:38:52.085880Z",
"structure_string": "Pu1 P3\n1.0\n3.521319 -0.000000 -1.127570\n-0.046992 3.970798 -0.146752\n-0.177508 -0.190852 5.507847\nPu P\n1 3\ndirect\n0.335835 -0.007621 0.671672 Pu\n0.619926 0.057756 0.239850 P\n0.127271 0.439112 0.254541 P\n0.916968 0.510755 0.833938 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"P"
],
"chemical_system": "P-Pu",
"density": 7.350852270890527,
"density_atomic": 0.05255573801480318,
"volume": 76.10967234202543,
"volume_molar": 11.458579001028902,
"formula_full": "Pu1 P3",
"formula_reduced": "PuP3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.050329125,
"spacegroup": 8
},
{
"id": "jvasp-111648",
"created_at": "2022-09-04T14:38:52.107379Z",
"updated_at": "2022-09-04T14:38:52.107396Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.839418 -0.003879 0.245291\n1.375358 6.140445 0.724476\n0.282582 -0.089544 13.247723\nLi Mn Co O\n8 2 4 14\ndirect\n0.139893 0.932223 0.787701 Li\n0.003621 0.504442 0.488885 Li\n0.863281 0.056602 0.217182 Li\n0.578126 0.207385 0.636662 Li\n0.435035 0.784976 0.345538 Li\n0.267552 0.380268 0.084105 Li\n0.712270 0.636064 0.938686 Li\n0.567439 0.713937 0.151216 Li\n0.002216 0.991673 0.003569 Mn\n0.858953 0.569776 0.712269 Mn\n0.286919 0.854957 0.571335 Co\n0.141265 0.433704 0.283903 Co\n0.714995 0.141476 0.428736 Co\n0.428362 0.287246 0.855864 Co\n0.869718 0.309710 0.950865 O\n0.559478 0.982407 0.898174 O\n0.422278 0.542094 0.613135 O\n0.272130 0.122564 0.333203 O\n-0.009321 0.263363 0.754984 O\n0.843866 0.835759 0.476450 O\n0.708459 0.390595 0.192394 O\n0.133887 0.701777 0.029988 O\n0.725393 0.876778 0.672717 O\n0.584127 0.446166 0.385926 O\n0.432106 0.042834 0.092846 O\n0.155996 0.159557 0.528847 O\n0.005466 0.735197 0.254162 O\n0.296502 0.596464 0.810661 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.4980829976093295,
"density_atomic": 0.12132969902835514,
"volume": 230.77614322158922,
"volume_molar": 4.963451494751179,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5575038243842365,
"spacegroup": 8
},
{
"id": "jvasp-123615",
"created_at": "2022-09-04T14:38:52.161670Z",
"updated_at": "2022-09-04T14:38:52.161715Z",
"structure_string": "Sb1 P3\n1.0\n3.437809 -0.000000 -1.100829\n-0.025607 4.556629 -0.079969\n-0.029198 -0.110315 5.827242\nSb P\n1 3\ndirect\n0.377303 0.919524 0.754609 Sb\n0.606988 0.113568 0.213975 P\n0.105880 0.437124 0.211759 P\n0.909827 0.529783 0.819656 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"P"
],
"chemical_system": "P-Sb",
"density": 3.913015360413801,
"density_atomic": 0.04390644334895126,
"volume": 91.10280165964623,
"volume_molar": 13.715847380618781,
"formula_full": "Sb1 P3",
"formula_reduced": "SbP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6521706500000004,
"spacegroup": 8
},
{
"id": "jvasp-120817",
"created_at": "2022-09-04T14:38:52.121144Z",
"updated_at": "2022-09-04T14:38:52.121168Z",
"structure_string": "B3 As1\n1.0\n3.051027 0.027033 1.086846\n1.041404 -4.829059 0.075201\n-2.093177 -0.752476 -3.766753\nB As\n3 1\ndirect\n0.269586 0.917501 0.113576 B\n0.817838 0.846339 0.150065 B\n0.151539 0.731649 0.706692 B\n0.923048 0.406907 0.868185 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"As"
],
"chemical_system": "As-B",
"density": 4.057540677676034,
"density_atomic": 0.09104437484312775,
"volume": 43.93461986961987,
"volume_molar": 6.614511627298593,
"formula_full": "B3 As1",
"formula_reduced": "B3As",
"formula_anonymous": "AB3",
"energy_above_hull": 4.031039875,
"spacegroup": 8
},
{
"id": "jvasp-122674",
"created_at": "2022-09-04T14:38:52.155394Z",
"updated_at": "2022-09-04T14:38:52.155414Z",
"structure_string": "K1 Ga3\n1.0\n5.663885 -0.654142 -0.772078\n-3.313961 4.639521 0.772078\n-0.962129 0.567306 4.445723\nK Ga\n1 3\ndirect\n0.063445 0.936556 0.929587 K\n0.427705 0.572296 0.312361 Ga\n0.812443 0.187559 0.182495 Ga\n0.696410 0.303592 0.575555 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 3.9948899930469643,
"density_atomic": 0.03876110928367627,
"volume": 103.19622100403993,
"volume_molar": 15.536554219659925,
"formula_full": "K1 Ga3",
"formula_reduced": "KGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0234774999999999,
"spacegroup": 8
},
{
"id": "jvasp-119199",
"created_at": "2022-09-04T14:38:52.168970Z",
"updated_at": "2022-09-04T14:38:52.168992Z",
"structure_string": "Cr5 In1 S8\n1.0\n8.900167 -0.000000 2.349513\n8.219576 3.413437 2.349513\n-0.000000 -0.000000 8.673777\nCr In S\n5 1 8\ndirect\n0.203051 0.203051 0.165152 Cr\n0.796057 0.796058 0.834158 Cr\n0.500580 0.500581 0.500128 Cr\n0.841130 0.841131 0.473986 Cr\n0.157545 0.157545 0.527474 Cr\n0.981543 0.981544 0.007997 In\n0.414621 0.414621 0.327409 S\n0.584636 0.584637 0.673581 S\n0.736889 0.736889 0.345330 S\n0.262087 0.262087 0.656414 S\n0.076406 0.076406 0.349550 S\n0.923822 0.923823 0.649544 S\n0.328172 0.328172 0.989294 S\n0.672353 0.672354 0.010477 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"In",
"S"
],
"chemical_system": "Cr-In-S",
"density": 3.9783163409088247,
"density_atomic": 0.05312876686087393,
"volume": 263.5107273741401,
"volume_molar": 11.334990657264692,
"formula_full": "Cr5 In1 S8",
"formula_reduced": "Cr5InS8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 3.3551890692857147,
"spacegroup": 8
},
{
"id": "jvasp-123619",
"created_at": "2022-09-04T14:38:52.246312Z",
"updated_at": "2022-09-04T14:38:52.246323Z",
"structure_string": "Sm1 P3\n1.0\n3.541328 -0.000000 -1.133977\n-0.042576 4.086468 -0.132962\n-0.139509 -0.201565 5.660962\nSm P\n1 3\ndirect\n0.338755 -0.017970 0.677511 Sm\n0.620630 0.078300 0.241258 P\n0.122261 0.442185 0.244522 P\n0.918353 0.497488 0.836707 P\n",
"nsites": 4,
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"elements": [
"Sm",
"P"
],
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"density": 4.976838652300502,
"density_atomic": 0.04927830398647225,
"volume": 81.17162476001751,
"volume_molar": 12.220673750568166,
"formula_full": "Sm1 P3",
"formula_reduced": "SmP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.41805884375,
"spacegroup": 8
},
{
"id": "jvasp-118496",
"created_at": "2022-09-04T14:38:52.355290Z",
"updated_at": "2022-09-04T14:38:52.355316Z",
"structure_string": "Si1 H2 O1\n1.0\n2.668001 -1.651377 -0.017858\n2.668001 1.651377 -0.017858\n-1.692907 0.000000 4.716594\nSi H O\n1 2 1\ndirect\n0.733273 0.733273 0.744126 Si\n0.728681 0.728681 0.287372 H\n0.410975 0.410975 0.792494 H\n0.598134 0.598134 0.386004 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"H",
"O"
],
"chemical_system": "H-O-Si",
"density": 1.8463383081125448,
"density_atomic": 0.09647480312373416,
"volume": 41.46160313869502,
"volume_molar": 6.24219025591198,
"formula_full": "Si1 H2 O1",
"formula_reduced": "SiH2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.566463025,
"spacegroup": 8
},
{
"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-119389",
"created_at": "2022-09-04T14:38:52.423430Z",
"updated_at": "2022-09-04T14:38:52.423454Z",
"structure_string": "Li4 Ti5 Co3 O16\n1.0\n5.733970 -0.027825 0.031761\n2.792439 5.008140 0.031761\n-0.000394 -0.000230 9.487742\nLi Ti Co O\n4 5 3 16\ndirect\n0.332817 0.332818 0.108759 Li\n0.011324 0.011324 0.007440 Li\n0.008111 0.008111 0.503805 Li\n0.663119 0.663120 0.598093 Li\n0.824497 0.824498 0.276348 Ti\n0.651032 0.159316 0.781123 Ti\n0.335269 0.335269 0.497820 Ti\n0.159316 0.651031 0.781123 Ti\n0.654294 0.654294 0.007654 Ti\n0.343541 0.833236 0.287616 Co\n0.174624 0.174623 0.788375 Co\n0.833235 0.343542 0.287616 Co\n0.832763 0.832764 0.904816 O\n0.827012 0.335409 0.905568 O\n0.665354 0.665355 0.396115 O\n0.517455 0.967977 0.159253 O\n0.967976 0.517456 0.159253 O\n0.169778 0.169778 0.396731 O\n0.031734 0.488911 0.652690 O\n0.481999 0.481999 0.664428 O\n0.171839 0.671593 0.403280 O\n0.006928 0.006928 0.194865 O\n0.004487 0.004487 0.693612 O\n0.335845 0.335845 0.901775 O\n0.521391 0.521392 0.170850 O\n0.671593 0.171840 0.403280 O\n0.488912 0.031734 0.652690 O\n0.335409 0.827012 0.905568 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.254121353047618,
"density_atomic": 0.10249192491531744,
"volume": 273.1922541520673,
"volume_molar": 5.8757221751622986,
"formula_full": "Li4 Ti5 Co3 O16",
"formula_reduced": "Li4Ti5Co3O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 3.1336960845238093,
"spacegroup": 8
}
]
}