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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3530",
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"results": [
{
"id": "jvasp-59034",
"created_at": "2022-09-04T14:38:17.244682Z",
"updated_at": "2022-09-04T14:38:17.244703Z",
"structure_string": "Rb8 Ag4 Cl12\n1.0\n4.452711 -0.000000 0.000000\n0.000000 9.151371 0.000000\n0.000000 0.000000 17.763187\nRb Ag Cl\n8 4 12\ndirect\n0.250000 0.928555 0.712618 Rb\n0.750000 0.071445 0.287382 Rb\n0.250000 0.428555 0.787382 Rb\n0.750000 0.571445 0.212618 Rb\n0.750000 0.243569 0.541532 Rb\n0.250000 0.756430 0.458469 Rb\n0.750000 0.743569 0.958469 Rb\n0.250000 0.256430 0.041531 Rb\n0.750000 0.125532 0.867021 Ag\n0.250000 0.874468 0.132980 Ag\n0.750000 0.625532 0.632980 Ag\n0.250000 0.374468 0.367021 Ag\n0.250000 0.993660 0.902262 Cl\n0.750000 0.884039 0.573029 Cl\n0.250000 0.115961 0.426971 Cl\n0.750000 0.384039 0.926971 Cl\n0.250000 0.615961 0.073029 Cl\n0.750000 0.692714 0.775588 Cl\n0.250000 0.307286 0.224412 Cl\n0.750000 0.192714 0.724412 Cl\n0.250000 0.807286 0.275588 Cl\n0.250000 0.493660 0.597739 Cl\n0.750000 0.506340 0.402262 Cl\n0.750000 0.006340 0.097738 Cl\n",
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"volume": 723.82163240971,
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"formula_anonymous": "AB2C3",
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"spacegroup": 62
},
{
"id": "jvasp-20164",
"created_at": "2022-09-04T14:38:17.453240Z",
"updated_at": "2022-09-04T14:38:17.453249Z",
"structure_string": "Zr4 P8\n1.0\n3.552669 -0.000000 0.000000\n0.000000 6.559595 0.000000\n0.000000 0.000000 8.820490\nZr P\n4 8\ndirect\n0.250000 0.779729 0.662390 Zr\n0.750000 0.220270 0.337610 Zr\n0.250000 0.279730 0.837609 Zr\n0.750000 0.720270 0.162390 Zr\n0.250000 0.406414 0.145688 P\n0.750000 0.593585 0.854312 P\n0.250000 0.906414 0.354312 P\n0.750000 0.093586 0.645688 P\n0.750000 0.109184 0.039657 P\n0.250000 0.890815 0.960343 P\n0.750000 0.609184 0.460343 P\n0.250000 0.390815 0.539657 P\n",
"nsites": 12,
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"elements": [
"Zr",
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],
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"density": 4.949514919794134,
"density_atomic": 0.05837901479198105,
"volume": 205.5533147100715,
"volume_molar": 10.315591623905243,
"formula_full": "Zr4 P8",
"formula_reduced": "ZrP2",
"formula_anonymous": "AB2",
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"spacegroup": 62
},
{
"id": "jvasp-50403",
"created_at": "2022-09-04T14:38:17.658406Z",
"updated_at": "2022-09-04T14:38:17.658424Z",
"structure_string": "Cd4 Ga8 O16\n1.0\n3.001702 0.000000 0.000000\n0.000000 9.228013 0.000000\n0.000000 0.000000 10.712534\nCd Ga O\n4 8 16\ndirect\n0.250000 0.757059 0.346745 Cd\n0.749999 0.742940 0.846745 Cd\n0.250000 0.257059 0.153255 Cd\n0.749999 0.242941 0.653255 Cd\n0.749999 0.083529 0.394771 Ga\n0.749999 0.064632 0.886812 Ga\n0.250000 0.416471 0.894771 Ga\n0.250000 0.435368 0.386812 Ga\n0.749999 0.564632 0.613187 Ga\n0.250000 0.935368 0.113188 Ga\n0.250000 0.916470 0.605228 Ga\n0.749999 0.583529 0.105228 Ga\n0.749999 0.470303 0.783221 O\n0.250000 0.115731 0.523330 O\n0.250000 0.204094 0.840679 O\n0.749999 0.295906 0.340680 O\n0.749999 0.384269 0.023330 O\n0.250000 0.418289 0.570556 O\n0.250000 0.529697 0.216779 O\n0.250000 0.918288 0.929443 O\n0.250000 0.615730 0.976670 O\n0.250000 0.704094 0.659320 O\n0.749999 0.795906 0.159320 O\n0.749999 0.884269 0.476670 O\n0.749999 0.081711 0.070557 O\n0.749999 0.970302 0.716779 O\n0.749999 0.581711 0.429443 O\n0.250000 0.029697 0.283221 O\n",
"nsites": 28,
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"elements": [
"Cd",
"Ga",
"O"
],
"chemical_system": "Cd-Ga-O",
"density": 7.070144815704837,
"density_atomic": 0.09436045921740839,
"volume": 296.7344609407574,
"volume_molar": 6.382059614742725,
"formula_full": "Cd4 Ga8 O16",
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"formula_anonymous": "AB2C4",
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"spacegroup": 62
},
{
"id": "jvasp-87211",
"created_at": "2022-09-04T14:38:17.839324Z",
"updated_at": "2022-09-04T14:38:17.839348Z",
"structure_string": "Pb12 Br8 O8\n1.0\n5.943695 -0.000000 0.000000\n-0.000000 9.911420 0.000000\n0.000000 0.000000 12.317916\nPb Br O\n12 8 8\ndirect\n0.250000 0.077421 0.079299 Pb\n0.749999 0.922579 0.920702 Pb\n0.749999 0.577421 0.420701 Pb\n0.250000 0.422579 0.579299 Pb\n0.250000 0.366103 0.287357 Pb\n0.749999 0.633897 0.712643 Pb\n0.749999 0.866103 0.212643 Pb\n0.250000 0.133897 0.787357 Pb\n0.250000 0.790468 0.556369 Pb\n0.749999 0.209532 0.443631 Pb\n0.749999 0.290468 0.943631 Pb\n0.250000 0.709531 0.056369 Pb\n0.250000 0.693629 0.309971 Br\n0.749999 0.306371 0.690029 Br\n0.749999 0.193629 0.190029 Br\n0.250000 0.806371 0.809972 Br\n0.749999 0.927276 0.629386 Br\n0.749999 0.572724 0.129385 Br\n0.250000 0.072724 0.370615 Br\n0.250000 0.427276 0.870615 Br\n0.996457 0.112330 0.922692 O\n0.996457 0.387670 0.422692 O\n0.496457 0.612330 0.577309 O\n0.003542 0.887670 0.077308 O\n0.503542 0.112330 0.922692 O\n0.003542 0.612330 0.577309 O\n0.503542 0.387670 0.422692 O\n0.496457 0.887670 0.077308 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Br",
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],
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"density": 7.445386610074302,
"density_atomic": 0.038585878967064224,
"volume": 725.6540669683844,
"volume_molar": 15.607110479821705,
"formula_full": "Pb12 Br8 O8",
"formula_reduced": "Pb3(BrO)2",
"formula_anonymous": "A2B2C3",
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"spacegroup": 62
},
{
"id": "jvasp-45302",
"created_at": "2022-09-04T14:38:18.723091Z",
"updated_at": "2022-09-04T14:38:18.723110Z",
"structure_string": "Mg4 Se4 O12\n1.0\n5.049728 0.000000 0.000000\n-0.000000 5.926685 0.000000\n0.000000 0.000000 7.700414\nMg Se O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.982398 0.017647 0.250000 Se\n0.482398 0.482352 0.750000 Se\n0.517602 0.517647 0.250000 Se\n0.017602 0.982352 0.750000 Se\n0.823009 0.431083 0.750000 O\n0.323009 0.068917 0.250000 O\n0.858537 0.182052 0.077827 O\n0.358537 0.317947 0.922172 O\n0.641464 0.682052 0.422172 O\n0.358537 0.317947 0.577827 O\n0.141464 0.817947 0.922172 O\n0.641464 0.682052 0.077827 O\n0.176992 0.568916 0.250000 O\n0.858537 0.182052 0.422172 O\n0.141464 0.817947 0.577827 O\n0.676992 0.931083 0.750000 O\n",
"nsites": 20,
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"elements": [
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"Se",
"O"
],
"chemical_system": "Mg-O-Se",
"density": 4.359618295579769,
"density_atomic": 0.08678328583860966,
"volume": 230.45912362887339,
"volume_molar": 6.939286409596588,
"formula_full": "Mg4 Se4 O12",
"formula_reduced": "MgSeO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-22878",
"created_at": "2022-09-04T14:38:18.086532Z",
"updated_at": "2022-09-04T14:38:18.086574Z",
"structure_string": "K12 Nb4 Se16\n1.0\n9.640693 -0.000000 0.000000\n0.000000 9.702004 0.000000\n0.000000 0.000000 11.034027\nK Nb Se\n12 4 16\ndirect\n0.370952 0.588710 0.750000 K\n0.129048 0.088710 0.250000 K\n0.629047 0.411290 0.250000 K\n0.870952 0.911290 0.750000 K\n0.943621 0.707341 0.453895 K\n0.443621 0.792659 0.046105 K\n0.556378 0.207341 0.546105 K\n0.056379 0.292659 0.953895 K\n0.056379 0.292659 0.546105 K\n0.556378 0.207341 0.953895 K\n0.443621 0.792659 0.453895 K\n0.943621 0.707341 0.046105 K\n0.288157 0.015373 0.750000 Nb\n0.788157 0.484627 0.750000 Nb\n0.211843 0.515372 0.250000 Nb\n0.711843 0.984627 0.250000 Nb\n0.165486 0.948070 0.931419 Se\n0.665486 0.551929 0.568581 Se\n0.189811 0.763207 0.250000 Se\n0.689811 0.736793 0.250000 Se\n0.310189 0.263207 0.750000 Se\n0.810189 0.236793 0.750000 Se\n0.981289 0.414032 0.250000 Se\n0.481289 0.085968 0.250000 Se\n0.018711 0.585968 0.750000 Se\n0.165486 0.948070 0.568581 Se\n0.834513 0.051930 0.068581 Se\n0.665486 0.551929 0.931419 Se\n0.334514 0.448070 0.431419 Se\n0.834513 0.051930 0.431419 Se\n0.518710 0.914032 0.750000 Se\n0.334514 0.448070 0.068581 Se\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "K-Nb-Se",
"density": 3.385518330995795,
"density_atomic": 0.03100603502730832,
"volume": 1032.0571453852856,
"volume_molar": 19.42247938085617,
"formula_full": "K12 Nb4 Se16",
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"formula_anonymous": "AB3C4",
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},
{
"id": "jvasp-97811",
"created_at": "2022-09-04T14:38:18.147648Z",
"updated_at": "2022-09-04T14:38:18.147668Z",
"structure_string": "V8 Cd4 P8 O36\n1.0\n6.363770 0.000000 0.000000\n-0.000000 7.273818 0.000000\n0.000000 0.000000 14.408958\nV Cd P O\n8 4 8 36\ndirect\n0.000000 0.500000 0.500000 V\n0.500001 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.250000 0.845899 0.619572 V\n0.250000 0.654101 0.119572 V\n0.749999 0.345899 0.880429 V\n0.500001 0.000000 0.000000 V\n0.749999 0.154101 0.380429 V\n0.250000 0.129999 0.220849 Cd\n0.749999 0.870001 0.779151 Cd\n0.749999 0.629998 0.279151 Cd\n0.250000 0.370001 0.720849 Cd\n0.749999 0.634458 0.067963 P\n0.749999 0.865541 0.567963 P\n0.250000 0.134458 0.432037 P\n0.250000 0.365541 0.932037 P\n0.250000 0.883182 0.807501 P\n0.749999 0.116817 0.192499 P\n0.749999 0.383183 0.692499 P\n0.250000 0.616817 0.307501 P\n0.749999 0.491713 0.992720 O\n0.749999 0.957754 0.264916 O\n0.250000 0.508286 0.007280 O\n0.250000 0.991714 0.507280 O\n0.749999 0.008286 0.492720 O\n0.749999 0.542245 0.764916 O\n0.250000 0.457755 0.235084 O\n0.250000 0.042245 0.735084 O\n0.048649 0.612852 0.369164 O\n0.059414 0.123840 0.365523 O\n0.548648 0.387147 0.630836 O\n0.951350 0.112853 0.130836 O\n0.451351 0.887147 0.869164 O\n0.951350 0.387147 0.630836 O\n0.451351 0.612852 0.369164 O\n0.048649 0.887147 0.869164 O\n0.548648 0.112853 0.130836 O\n0.250000 0.328668 0.478337 O\n0.749999 0.671333 0.521663 O\n0.749999 0.828667 0.021663 O\n0.250000 0.171332 0.978337 O\n0.440586 0.376161 0.865523 O\n0.749999 0.131738 0.946768 O\n0.250000 0.631738 0.553232 O\n0.749999 0.368262 0.446768 O\n0.749999 0.208430 0.754835 O\n0.250000 0.791571 0.245165 O\n0.250000 0.708430 0.745165 O\n0.749999 0.291570 0.254835 O\n0.440586 0.123840 0.365523 O\n0.940585 0.876161 0.634478 O\n0.559415 0.623840 0.134477 O\n0.059414 0.376161 0.865523 O\n0.559415 0.876161 0.634478 O\n0.250000 0.868263 0.053232 O\n0.940585 0.623840 0.134477 O\n",
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"elements": [
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"formula_full": "V8 Cd4 P8 O36",
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},
{
"id": "jvasp-24974",
"created_at": "2022-09-04T14:38:18.346663Z",
"updated_at": "2022-09-04T14:38:18.346688Z",
"structure_string": "Rb4 P4 O8 F8\n1.0\n6.625416 -0.000000 0.000000\n-0.000000 7.654423 0.000000\n0.000000 0.000000 7.837943\nRb P O F\n4 4 8 8\ndirect\n0.250000 0.355547 0.631887 Rb\n0.750000 0.855547 0.868112 Rb\n0.750000 0.644453 0.368112 Rb\n0.250000 0.144453 0.131888 Rb\n0.750000 0.318659 0.880080 P\n0.250000 0.681341 0.119920 P\n0.250000 0.818659 0.619920 P\n0.750000 0.181341 0.380080 P\n0.053459 0.725767 0.619352 O\n0.053459 0.774233 0.119353 O\n0.446541 0.725767 0.619352 O\n0.553459 0.274233 0.380647 O\n0.946542 0.225767 0.880647 O\n0.553459 0.225767 0.880647 O\n0.446541 0.774233 0.119353 O\n0.946542 0.274233 0.380647 O\n0.750000 0.455307 0.725575 F\n0.750000 0.038437 0.529102 F\n0.250000 0.955307 0.774424 F\n0.250000 0.544693 0.274424 F\n0.750000 0.044693 0.225575 F\n0.250000 0.961563 0.470898 F\n0.750000 0.461563 0.029102 F\n0.250000 0.538437 0.970898 F\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.060378668304364225,
"volume": 397.4913769051322,
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"formula_anonymous": "ABC2D2",
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},
{
"id": "jvasp-20924",
"created_at": "2022-09-04T14:38:19.161707Z",
"updated_at": "2022-09-04T14:38:19.161730Z",
"structure_string": "K12 As4 S16\n1.0\n9.082919 0.000000 0.000000\n0.000000 9.325500 0.000000\n0.000000 0.000000 10.556611\nK As S\n12 4 16\ndirect\n0.942164 0.700026 0.007174 K\n0.360054 0.583561 0.713176 K\n0.860054 0.916439 0.713176 K\n0.139946 0.083561 0.213176 K\n0.942163 0.700030 0.419178 K\n0.057837 0.299970 0.919178 K\n0.557837 0.200030 0.919178 K\n0.442163 0.799970 0.419178 K\n0.442164 0.799974 0.007174 K\n0.057836 0.299974 0.507174 K\n0.557836 0.200026 0.507174 K\n0.639946 0.416439 0.213176 K\n0.780094 0.479360 0.713174 As\n0.219906 0.520640 0.213175 As\n0.719906 0.979360 0.213175 As\n0.280094 0.020640 0.713174 As\n0.186596 0.754007 0.213173 S\n0.686596 0.745993 0.213173 S\n0.340861 0.463072 0.040487 S\n0.659139 0.536928 0.540487 S\n0.159139 0.963072 0.540487 S\n0.840861 0.036928 0.040487 S\n0.003333 0.411064 0.213175 S\n0.996667 0.588936 0.713175 S\n0.503333 0.088936 0.213175 S\n0.340862 0.463071 0.385861 S\n0.659138 0.536929 0.885861 S\n0.159138 0.963071 0.885861 S\n0.840862 0.036929 0.385861 S\n0.813404 0.245993 0.713173 S\n0.496667 0.911064 0.713175 S\n0.313404 0.254007 0.713173 S\n",
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"volume": 894.1740999228352,
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"formula_full": "K12 As4 S16",
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},
{
"id": "jvasp-55798",
"created_at": "2022-09-04T14:38:19.396422Z",
"updated_at": "2022-09-04T14:38:19.396444Z",
"structure_string": "Lu4 Mn4 O12\n1.0\n5.176951 0.000000 0.000000\n-0.000000 5.608394 0.000000\n0.000000 0.000000 7.476994\nLu Mn O\n4 4 12\ndirect\n0.022185 0.920583 0.750000 Lu\n0.522185 0.579416 0.250000 Lu\n0.477815 0.420583 0.750000 Lu\n0.977815 0.079416 0.250000 Lu\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.623685 0.044644 0.750000 O\n0.123685 0.455356 0.250000 O\n0.691628 0.313655 0.061169 O\n0.191629 0.186344 0.938831 O\n0.808371 0.813655 0.438831 O\n0.191629 0.186344 0.561168 O\n0.308371 0.686344 0.938831 O\n0.808371 0.813655 0.061169 O\n0.876315 0.544643 0.750000 O\n0.691628 0.313655 0.438831 O\n0.308371 0.686344 0.561168 O\n0.376315 0.955356 0.250000 O\n",
"nsites": 20,
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"elements": [
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"density": 8.502822325682244,
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"volume": 217.08989198260548,
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"formula_full": "Lu4 Mn4 O12",
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"spacegroup": 62
},
{
"id": "jvasp-21916",
"created_at": "2022-09-04T14:38:19.601238Z",
"updated_at": "2022-09-04T14:38:19.601262Z",
"structure_string": "Er4 Ge4 Pt4\n1.0\n4.352132 0.000000 0.000000\n0.000000 6.951800 0.000000\n0.000000 0.000000 7.609557\nEr Ge Pt\n4 4 4\ndirect\n0.750000 0.497313 0.796507 Er\n0.250000 0.002687 0.296507 Er\n0.750000 0.997313 0.703494 Er\n0.250000 0.502687 0.203494 Er\n0.250000 0.690032 0.589540 Ge\n0.250000 0.190032 0.910460 Ge\n0.750000 0.309968 0.410460 Ge\n0.750000 0.809968 0.089540 Ge\n0.250000 0.791814 0.916098 Pt\n0.250000 0.291814 0.583902 Pt\n0.750000 0.708186 0.416098 Pt\n0.750000 0.208186 0.083902 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"Ge",
"Pt"
],
"chemical_system": "Er-Ge-Pt",
"density": 12.549391563744145,
"density_atomic": 0.05212217659679153,
"volume": 230.22829788613777,
"volume_molar": 11.553893473379434,
"formula_full": "Er4 Ge4 Pt4",
"formula_reduced": "ErGePt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.03791245,
"spacegroup": 62
},
{
"id": "jvasp-26997",
"created_at": "2022-09-04T14:38:19.609250Z",
"updated_at": "2022-09-04T14:38:19.609277Z",
"structure_string": "Ti4 Si4 Ni4\n1.0\n3.674759 -0.000000 0.000000\n-0.000000 6.175545 0.000000\n0.000000 0.000000 7.039092\nTi Si Ni\n4 4 4\ndirect\n0.750000 0.977116 0.818273 Ti\n0.250000 0.022883 0.181727 Ti\n0.750000 0.477116 0.681727 Ti\n0.250000 0.522883 0.318273 Ti\n0.750000 0.234666 0.378802 Si\n0.250000 0.765333 0.621198 Si\n0.750000 0.734666 0.121198 Si\n0.250000 0.265334 0.878802 Si\n0.750000 0.858410 0.438987 Ni\n0.250000 0.141589 0.561012 Ni\n0.750000 0.358411 0.061013 Ni\n0.250000 0.641588 0.938987 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Ti",
"density": 5.598625630964418,
"density_atomic": 0.07512084279698744,
"volume": 159.74261673860286,
"volume_molar": 8.016604361421654,
"formula_full": "Ti4 Si4 Ni4",
"formula_reduced": "TiSiNi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1028397777777776,
"spacegroup": 62
}
]
}