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{
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"results": [
{
"id": "jvasp-21839",
"created_at": "2022-09-04T14:37:33.187520Z",
"updated_at": "2022-09-04T14:37:33.187545Z",
"structure_string": "Sr6 Cr2 N6\n1.0\n3.870265 -6.703497 0.000000\n3.870265 6.703497 -0.000000\n-0.000000 -0.000000 5.243598\nSr Cr N\n6 2 6\ndirect\n0.913427 0.270758 0.250000 Sr\n0.270758 0.357332 0.750000 Sr\n0.642669 0.913427 0.750000 Sr\n0.357332 0.086574 0.250000 Sr\n0.729243 0.642669 0.250000 Sr\n0.086574 0.729243 0.750000 Sr\n0.333334 0.666668 0.250000 Cr\n0.666668 0.333334 0.750000 Cr\n0.880682 0.314653 0.750000 N\n0.314653 0.433972 0.250000 N\n0.566030 0.880682 0.250000 N\n0.433971 0.119319 0.750000 N\n0.685349 0.566030 0.750000 N\n0.119319 0.685348 0.250000 N\n",
"nsites": 14,
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"elements": [
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"density": 4.3560732328949205,
"density_atomic": 0.051454875177719614,
"volume": 272.0830621325094,
"volume_molar": 11.703732132669982,
"formula_full": "Sr6 Cr2 N6",
"formula_reduced": "Sr3CrN3",
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{
"id": "jvasp-116650",
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"updated_at": "2022-09-04T14:38:44.078725Z",
"structure_string": "Sr6 Co4 O13\n1.0\n10.441364 -0.043258 0.000000\n-9.031912 5.239133 0.000000\n-0.000000 -0.000000 5.376224\nSr Co O\n6 4 13\ndirect\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.179411 0.820588 0.500000 Sr\n0.682377 0.317622 -0.000000 Sr\n0.317622 0.682377 -0.000000 Sr\n0.820588 0.179411 0.500000 Sr\n0.393632 0.606367 0.500000 Co\n0.905397 0.094602 -0.000000 Co\n0.094602 0.905397 -0.000000 Co\n0.606367 0.393632 0.500000 Co\n0.189819 0.810180 -0.000000 O\n0.810180 0.189819 -0.000000 O\n0.300237 0.699762 0.500000 O\n0.832566 0.653940 0.255795 O\n0.346059 0.167433 0.744204 O\n0.167433 0.346059 0.255795 O\n0.167433 0.346059 0.744204 O\n0.346059 0.167433 0.255795 O\n0.832566 0.653940 0.744204 O\n0.699762 0.300237 0.500000 O\n0.653940 0.832566 0.744204 O\n0.653940 0.832566 0.255795 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
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],
"chemical_system": "Co-O-Sr",
"density": 5.513040442797503,
"density_atomic": 0.07876744363482804,
"volume": 291.99881243613515,
"volume_molar": 7.645469348883672,
"formula_full": "Sr6 Co4 O13",
"formula_reduced": "Sr6Co4O13",
"formula_anonymous": "A4B6C13",
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"spacegroup": 65
},
{
"id": "jvasp-117250",
"created_at": "2022-09-04T14:38:49.910304Z",
"updated_at": "2022-09-04T14:38:49.910320Z",
"structure_string": "Sr6 Co2 Ru2 O12\n1.0\n6.785507 -0.000378 -0.252883\n-0.205939 6.648975 -0.338540\n-0.024311 0.004792 6.616460\nSr Co Ru O\n6 2 2 12\ndirect\n0.610148 0.882649 0.250998 Sr\n0.888137 0.247631 0.613347 Sr\n0.246787 0.616800 0.881661 Sr\n0.111857 0.752364 0.386652 Sr\n0.753212 0.383200 0.118338 Sr\n0.389853 0.117348 0.749004 Sr\n0.733172 0.734415 0.759765 Co\n0.266835 0.265583 0.240235 Co\n0.499995 0.500002 0.500002 Ru\n0.000001 0.000000 -0.000000 Ru\n0.939712 0.078474 0.282107 O\n0.592167 0.463643 0.792596 O\n0.785951 0.599250 0.472303 O\n0.453261 0.785245 0.590511 O\n0.715957 0.028074 0.898759 O\n0.546740 0.214761 0.409486 O\n0.060290 0.921521 0.717893 O\n0.407828 0.536366 0.207408 O\n0.214048 0.400746 0.527698 O\n0.094018 0.288334 0.969952 O\n0.905989 0.711664 0.030057 O\n0.284046 0.971928 0.101232 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Co-O-Ru-Sr",
"density": 5.773113545228215,
"density_atomic": 0.07370616832348575,
"volume": 298.48248118726195,
"volume_molar": 8.170470527744287,
"formula_full": "Sr6 Co2 Ru2 O12",
"formula_reduced": "Sr3CoRuO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 2
},
{
"id": "jvasp-41954",
"created_at": "2022-09-04T14:37:44.421238Z",
"updated_at": "2022-09-04T14:37:44.421259Z",
"structure_string": "Sr6 Co2 C6 N6\n1.0\n4.352990 -7.539598 -0.000000\n4.352990 7.539599 -0.000000\n0.000000 0.000000 5.396037\nSr Co C N\n6 2 6 6\ndirect\n0.370559 0.306741 0.750000 Sr\n0.693259 0.063818 0.750000 Sr\n0.306741 0.936182 0.250000 Sr\n0.629441 0.693259 0.250000 Sr\n0.936182 0.629441 0.750000 Sr\n0.063818 0.370559 0.250000 Sr\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n0.695162 0.146957 0.250000 C\n0.304839 0.853043 0.750000 C\n0.853043 0.548205 0.250000 C\n0.548205 0.695161 0.750000 C\n0.146957 0.451795 0.750000 C\n0.451795 0.304839 0.250000 C\n0.977965 0.703594 0.250000 N\n0.022035 0.296406 0.750000 N\n0.703594 0.725629 0.750000 N\n0.296406 0.274371 0.250000 N\n0.725629 0.022035 0.250000 N\n0.274371 0.977965 0.750000 N\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "C-Co-N-Sr",
"density": 3.7491290386292153,
"density_atomic": 0.05646628193837523,
"volume": 354.19367653473455,
"volume_molar": 10.665020881970404,
"formula_full": "Sr6 Co2 C6 N6",
"formula_reduced": "Sr3Co(CN)3",
"formula_anonymous": "AB3C3D3",
"energy_above_hull": 4.137626958,
"spacegroup": 176
},
{
"id": "jvasp-45257",
"created_at": "2022-09-04T14:38:10.792235Z",
"updated_at": "2022-09-04T14:38:10.792260Z",
"structure_string": "Sr6 Cd2 Pt2 O12\n1.0\n6.831430 0.035789 -0.047679\n-0.048262 6.831354 -0.047679\n0.035351 0.035789 6.831505\nSr Cd Pt O\n6 2 2 12\ndirect\n0.750000 0.386512 0.113488 Sr\n0.113488 0.750000 0.386512 Sr\n0.386512 0.113488 0.750000 Sr\n0.886512 0.250000 0.613488 Sr\n0.250000 0.613488 0.886513 Sr\n0.613488 0.886512 0.250000 Sr\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.948161 0.082960 0.285402 O\n0.582960 0.448161 0.785402 O\n0.214599 0.417040 0.551839 O\n0.551839 0.214599 0.417040 O\n0.417040 0.551839 0.214599 O\n0.917040 0.714598 0.051839 O\n0.051839 0.917040 0.714599 O\n0.714598 0.051839 0.917040 O\n0.785402 0.582960 0.448161 O\n0.448161 0.785401 0.582960 O\n0.285402 0.948160 0.082960 O\n0.082960 0.285401 0.948161 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Cd-O-Pt-Sr",
"density": 6.940646693866062,
"density_atomic": 0.06899858919388153,
"volume": 318.84709900634977,
"volume_molar": 8.727918686972245,
"formula_full": "Sr6 Cd2 Pt2 O12",
"formula_reduced": "Sr3CdPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.2838337345454542,
"spacegroup": 167
},
{
"id": "jvasp-22143",
"created_at": "2022-09-04T14:37:44.729725Z",
"updated_at": "2022-09-04T14:37:44.729750Z",
"structure_string": "Sr6 Cd2 Ir2 O12\n1.0\n6.827001 0.049024 -0.037624\n-0.038100 6.827070 -0.037624\n0.048402 0.049024 6.826933\nSr Cd Ir O\n6 2 2 12\ndirect\n0.750000 0.387477 0.112523 Sr\n0.387477 0.112522 0.750000 Sr\n0.612523 0.887477 0.250001 Sr\n0.112523 0.750000 0.387478 Sr\n0.250000 0.612522 0.887477 Sr\n0.887477 0.249999 0.612523 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.749999 0.750001 Cd\n0.500000 0.499999 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.084105 0.283928 0.947885 O\n0.783928 0.584104 0.447886 O\n0.552115 0.216071 0.415895 O\n0.415895 0.552115 0.216072 O\n0.216072 0.415894 0.552115 O\n0.716071 0.052114 0.915895 O\n0.915895 0.716071 0.052116 O\n0.052115 0.915894 0.716072 O\n0.447885 0.783928 0.584106 O\n0.584105 0.447884 0.783929 O\n0.947885 0.084104 0.283929 O\n0.283928 0.947885 0.084106 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
"chemical_system": "Cd-Ir-O-Sr",
"density": 6.9241794563212355,
"density_atomic": 0.06913232878220572,
"volume": 318.23027500359103,
"volume_molar": 8.711034137114249,
"formula_full": "Sr6 Cd2 Ir2 O12",
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"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-24357",
"created_at": "2022-09-04T14:37:07.139804Z",
"updated_at": "2022-09-04T14:37:07.139827Z",
"structure_string": "Sr6 Ca2 Ir2 O12\n1.0\n6.827558 -0.003948 -0.156336\n-0.159867 6.825688 -0.156336\n-0.003859 -0.003948 6.829347\nSr Ca Ir O\n6 2 2 12\ndirect\n0.750000 0.385550 0.114449 Sr\n0.614449 0.885551 0.249999 Sr\n0.885551 0.250000 0.614449 Sr\n0.114449 0.750000 0.385550 Sr\n0.385551 0.114449 0.750000 Sr\n0.250000 0.614449 0.885550 Sr\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.749999 Ca\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.917587 0.713103 0.050541 O\n0.050542 0.917587 0.713103 O\n0.082412 0.286897 0.949458 O\n0.949458 0.082412 0.286896 O\n0.550542 0.213103 0.417587 O\n0.213103 0.417587 0.550542 O\n0.449458 0.786897 0.582412 O\n0.417587 0.550542 0.213103 O\n0.286896 0.949458 0.082412 O\n0.713103 0.050541 0.917587 O\n0.582412 0.449458 0.786896 O\n0.786897 0.582412 0.449457 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Ca-Ir-O-Sr",
"density": 6.1688497730093985,
"density_atomic": 0.06912721485648898,
"volume": 318.2538171930249,
"volume_molar": 8.711678566107745,
"formula_full": "Sr6 Ca2 Ir2 O12",
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"spacegroup": 167
},
{
"id": "jvasp-110864",
"created_at": "2022-09-04T14:38:37.301610Z",
"updated_at": "2022-09-04T14:38:37.301637Z",
"structure_string": "Sr6 Ca2\n1.0\n8.221964 0.000000 0.000000\n-4.110982 7.120429 0.000000\n-0.000000 -0.000000 6.745340\nSr Ca\n6 2\ndirect\n0.168217 0.336435 0.250000 Sr\n0.663565 0.831783 0.250000 Sr\n0.168218 0.831783 0.250000 Sr\n0.831782 0.663565 0.750000 Sr\n0.336435 0.168217 0.750000 Sr\n0.831782 0.168217 0.750000 Sr\n0.333333 0.666667 0.750000 Ca\n0.666666 0.333333 0.250000 Ca\n",
"nsites": 8,
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],
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"density_atomic": 0.02025836588124983,
"volume": 394.898583967447,
"volume_molar": 29.726685732208065,
"formula_full": "Sr6 Ca2",
"formula_reduced": "Sr3Ca",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0007925,
"spacegroup": 194
},
{
"id": "jvasp-59093",
"created_at": "2022-09-04T14:38:36.293857Z",
"updated_at": "2022-09-04T14:38:36.293873Z",
"structure_string": "Sr6 B4 S12\n1.0\n5.982843 -0.004553 1.083207\n2.317609 5.515715 1.083207\n0.003682 0.002445 15.438739\nSr B S\n6 4 12\ndirect\n0.022525 0.977475 0.750000 Sr\n0.353068 0.321094 0.586863 Sr\n0.678906 0.646933 0.913138 Sr\n0.646931 0.678908 0.413138 Sr\n0.321093 0.353069 0.086863 Sr\n0.977473 0.022527 0.250000 Sr\n0.532705 0.744408 0.134943 B\n0.744406 0.532707 0.634943 B\n0.467293 0.255594 0.865058 B\n0.255593 0.467295 0.365058 B\n0.473620 0.082382 0.779610 S\n0.082381 0.473622 0.279610 S\n0.526378 0.917620 0.220390 S\n0.124877 0.726554 0.430325 S\n0.232265 0.546269 0.892403 S\n0.546267 0.232267 0.392403 S\n0.767733 0.453733 0.107598 S\n0.875122 0.273449 0.569675 S\n0.726551 0.124879 0.930325 S\n0.273447 0.875124 0.069675 S\n0.917617 0.526380 0.720390 S\n0.453731 0.767736 0.607598 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
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],
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"density": 3.107762719282331,
"density_atomic": 0.04317075233130236,
"volume": 509.604276320387,
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"formula_full": "Sr6 B4 S12",
"formula_reduced": "Sr3(BS3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 1.9084740087878789,
"spacegroup": 15
},
{
"id": "jvasp-49250",
"created_at": "2022-09-04T14:38:36.225870Z",
"updated_at": "2022-09-04T14:38:36.225884Z",
"structure_string": "Sr6 B4 O12\n1.0\n6.681831 -0.033637 0.549812\n0.503672 6.662906 0.549812\n-0.036460 -0.033637 6.704315\nSr B O\n6 4 12\ndirect\n0.605045 0.894955 0.250000 Sr\n0.894955 0.249999 0.605045 Sr\n0.394955 0.105045 0.749999 Sr\n0.750000 0.394955 0.105045 Sr\n0.105045 0.750000 0.394954 Sr\n0.250000 0.605045 0.894954 Sr\n0.384040 0.384040 0.384039 B\n0.115960 0.115960 0.115960 B\n0.884039 0.884039 0.884039 B\n0.615960 0.615960 0.615960 B\n0.772596 0.604192 0.466553 O\n0.466553 0.772596 0.604191 O\n0.604192 0.466553 0.772596 O\n0.727403 0.033446 0.895807 O\n0.104192 0.272596 0.966553 O\n0.966554 0.104191 0.272596 O\n0.533446 0.227403 0.395808 O\n0.395808 0.533446 0.227403 O\n0.227403 0.395808 0.533446 O\n0.895808 0.727404 0.033446 O\n0.033446 0.895808 0.727403 O\n0.272596 0.966554 0.104191 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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],
"chemical_system": "B-O-Sr",
"density": 4.228331159031444,
"density_atomic": 0.07361775588632384,
"volume": 298.84094856098426,
"volume_molar": 8.180282986755302,
"formula_full": "Sr6 B4 O12",
"formula_reduced": "Sr3(BO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.1083440996969696,
"spacegroup": 167
},
{
"id": "jvasp-10547",
"created_at": "2022-09-04T14:37:09.748263Z",
"updated_at": "2022-09-04T14:37:09.748273Z",
"structure_string": "Sr6 B2 P2 O6\n1.0\n2.643352 -4.578419 -0.000000\n2.643352 4.578419 0.000000\n-0.000000 0.000000 12.670607\nSr B P O\n6 2 2 6\ndirect\n0.333333 0.666667 0.400274 Sr\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.666667 0.333333 0.900274 Sr\n0.666667 0.333333 0.599727 Sr\n0.333333 0.666667 0.099727 Sr\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.515385 0.484614 0.250000 O\n0.969229 0.484614 0.250000 O\n0.484614 0.969229 0.750000 O\n0.515385 0.030771 0.250000 O\n0.030771 0.515385 0.750000 O\n0.484614 0.515385 0.750000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"P",
"O"
],
"chemical_system": "B-O-P-Sr",
"density": 3.818707223441018,
"density_atomic": 0.05217014353171814,
"volume": 306.68882462001284,
"volume_molar": 11.543270446129192,
"formula_full": "Sr6 B2 P2 O6",
"formula_reduced": "Sr3BPO3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.5742346891666663,
"spacegroup": 194
},
{
"id": "jvasp-11386",
"created_at": "2022-09-04T14:37:03.750601Z",
"updated_at": "2022-09-04T14:37:03.750622Z",
"structure_string": "Sr6 As8\n1.0\n5.685625 -0.000000 1.897327\n2.842813 7.470118 0.948664\n0.004703 -0.000000 9.453486\nSr As\n6 8\ndirect\n0.554221 0.005648 0.333636 Sr\n0.893503 0.994352 0.666364 Sr\n0.309867 0.494352 0.833636 Sr\n0.637856 0.505648 0.166364 Sr\n0.003401 0.500000 0.500000 Sr\n0.253402 0.000000 0.000000 Sr\n0.414803 0.674693 0.505676 As\n0.595172 0.325308 0.494324 As\n0.839496 0.825308 0.005676 As\n0.670479 0.174693 0.994325 As\n0.313981 0.169212 0.660927 As\n0.144119 0.830788 0.339074 As\n0.724907 0.669212 0.839074 As\n0.233193 0.330788 0.160926 As\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sr",
"As"
],
"chemical_system": "As-Sr",
"density": 4.653844721655393,
"density_atomic": 0.03487405767608488,
"volume": 401.4445388040002,
"volume_molar": 17.268253714364082,
"formula_full": "Sr6 As8",
"formula_reduced": "Sr3As4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.0883616785714287,
"spacegroup": 43
}
]
}